A0A077Z1Q4_TRITR Loading...

LRR 8 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1Q4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 515 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	31.8	Very low	32.5	Very low	231 Å²	231	162.5 Å²	162.5	100%	1.138	78%	0.777	S	S	*	*				0	101.1	0	-75.8	172.1	172.1	0	0	107.9	H3	M1-H3 PolarHBondContact O-N 3.3Å
2	H	28.9	Very low	33.2	Very low	196 Å²	196	154.7 Å²	154.7	91%	0.907	75%	0.751	S	S	*	*			trans	-70.3	110.2	173.2	-79.6	-66.7	0	0	0	108.2
3	H	28.5	Very low	33.9	Very low	157 Å²	157	156.9 Å²	156.9	73%	0.727	75%	0.749	S	S	*	*			trans	-94.2	116.5	167.8	-103.5	-60.1	0	0	0	109.6	M1 W5	M1-H3 PolarHBondContact O-N 3.3Å; H3-W5 PolarHBondContact O-N 2.67Å
4	P	32.3	Very low	34.7	Very low	109 Å²	109	148.3 Å²	148.3	71%	0.708	72%	0.722	S	S	*	*			trans	-88.1	93.5	-173.5	34.5	-30.3	0	0	0	109.3
5	W	29.3	Very low	36.3	Very low	198 Å²	198	144 Å²	144	75%	0.75	71%	0.708	S	S	*	*			trans	-128.9	32.1	167.5	-67.2	82.4	0	0	0	111.3	H3 I8	H3-W5 PolarHBondContact O-N 2.67Å; W5-I8 HydrophobicContact CE3-CD1 3.73Å; W5-I8 HydrophobicContact CZ3-CD1 3.67Å
6	K	32	Very low	37.7	Very low	205 Å²	205	139.9 Å²	139.9	89%	0.891	69%	0.694	S	S	*	*	S	Bend	trans	-99.8	-1.8	172.1	-89.7	-168.6	174	-174.5	0	115
7	D	32	Very low	39	Very low	148 Å²	148	138 Å²	138	79%	0.791	68%	0.684	S	S	*	*			trans	-121.9	23.4	-178.4	-86	-36.5	0	0	0	115.5	S9	D7-S9 PolarHBondContact O-N 2.82Å
8	I	32	Very low	40	Very low	106 Å²	106	138.9 Å²	138.9	54%	0.544	68%	0.683	S	S	.	*			trans	-82.1	70.1	155.7	-62.1	175.2	0	0	0	107.2	W5 C12	W5-I8 HydrophobicContact CE3-CD1 3.73Å; W5-I8 HydrophobicContact CZ3-CD1 3.67Å; I8-C12 HydrophobicContact CG2-CB 3.43Å; I8-C12 VanDerWaalsContact CG2-CB 3.43Å; I8-C12 WeakPolarHBondContact CG2-SG 3.19Å
9	S	35.9	Very low	41.5	Very low	69 Å²	69	136.5 Å²	136.5	48%	0.483	67%	0.672	S	S	.	*			trans	-55.4	159.6	170.3	62.7	0	0	0	0	110.8	D7 R11 C12	D7-S9 PolarHBondContact O-N 2.82Å; S9-R11 PolarHBondContact O-N 2.96Å; S9-C12 PolarHBondContact O-N 2.99Å
10	L	40.7	Very low	42.5	Very low	153 Å²	153	137.5 Å²	137.5	80%	0.801	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-36.9	-13.8	-172.3	-79	86.7	0	0	0	118.4	C12 Y13 G14	L10-C12 VanDerWaalsContact C-N 3.34Å; L10-C12 PolarHBondContact O-N 2.65Å; L10-Y13 PolarHBondContact O-N 2.98Å; L10-G14 PolarHBondContact O-N 3.41Å
11	R	34.6	Very low	43.3	Very low	215 Å²	215	139 Å²	139	81%	0.811	67%	0.668	S	S	*	*	H	α-helix	trans	-59	-39.6	173.2	-74.1	-173.8	174.2	-169	-0.9	112.9	S9 G14 V15	S9-R11 PolarHBondContact O-N 2.96Å; R11-G14 PolarHBondContact O-N 3.47Å; R11-V15 VanDerWaalsContact O-CG2 3.28Å; R11-V15 WeakPolarHBondContact O-CG2 3.4Å; R11-V15 PolarHBondContact O-N 3.04Å
12	C	40.1	Very low	44.9	Very low	69 Å²	69	133.5 Å²	133.5	47%	0.466	64%	0.642	S	S	.	*	H	α-helix	trans	-69.8	-36.9	175.8	-80.5	0	0	0	0	112.3	I8 S9 L10 G14 V15 V16	I8-C12 HydrophobicContact CG2-CB 3.43Å; I8-C12 VanDerWaalsContact CG2-CB 3.43Å; I8-C12 WeakPolarHBondContact CG2-SG 3.19Å; S9-C12 PolarHBondContact O-N 2.99Å; L10-C12 VanDerWaalsContact C-N 3.34Å; L10-C12 PolarHBondContact O-N 2.65Å; C12-G14 PolarHBondContact O-N 2.85Å; C12-V15 PolarHBondContact O-N 2.84Å; C12-V16 WeakPolarHBondContact O-CB 3.2Å; C12-V16 VanDerWaalsContact O-CG2 3.23Å; C12-V16 WeakPolarHBondContact O-CG2 3.37Å; C12-V16 PolarHBondContact O-N 3.36Å
13	Y	42.8	Very low	46.5	Very low	184 Å²	184	128.8 Å²	128.8	72%	0.722	62%	0.624	S	S	*	*	H	α-helix	trans	-64.5	-40.5	174.8	-119	-89.5	0	0	0	111.7	L10 V15 V16 M17	L10-Y13 PolarHBondContact O-N 2.98Å; Y13-V15 PolarHBondContact O-N 3.08Å; Y13-V16 PolarHBondContact O-N 2.92Å; Y13-M17 HydrophobicContact CD1-CG 4.47Å; Y13-M17 WeakPolarHBondContact O-CB 3.47Å; Y13-M17 VanDerWaalsContact O-CG 3.24Å; Y13-M17 WeakPolarHBondContact O-CG 3.16Å; Y13-M17 PolarHBondContact O-N 3.17Å
14	G	44.7	Very low	48.1	Very low	36 Å²	36	125.4 Å²	125.4	37%	0.371	61%	0.61	S	S	.	*	H	α-helix	trans	-65	-36	174.5	0	0	0	0	0	113.5	L10 R11 C12 K18	L10-G14 PolarHBondContact O-N 3.41Å; R11-G14 PolarHBondContact O-N 3.47Å; C12-G14 PolarHBondContact O-N 2.85Å; G14-K18 WeakPolarHBondContact O-CB 3.13Å; G14-K18 WeakPolarHBondContact O-CG 3.41Å; G14-K18 PolarHBondContact O-N 3.06Å; G14-K18 VanDerWaalsContact O-N 3.07Å
15	V	59.2	Low	49.3	Very low	84 Å²	84	124.7 Å²	124.7	51%	0.509	60%	0.6	S	S	.	*	H	α-helix	trans	-73.8	-42.5	176.1	173.9	0	0	0	0	111.2	R11 C12 Y13 M17 K18 I19	R11-V15 VanDerWaalsContact O-CG2 3.28Å; R11-V15 WeakPolarHBondContact O-CG2 3.4Å; R11-V15 PolarHBondContact O-N 3.04Å; C12-V15 PolarHBondContact O-N 2.84Å; Y13-V15 PolarHBondContact O-N 3.08Å; V15-M17 PolarHBondContact O-N 3.22Å; V15-K18 PolarHBondContact O-N 2.86Å; V15-I19 HydrophobicContact CG1-CD1 3.74Å; V15-I19 HydrophobicContact CG1-CG1 4.36Å; V15-I19 VanDerWaalsContact O-CG1 3.26Å; V15-I19 WeakPolarHBondContact O-CG1 3.28Å; V15-I19 PolarHBondContact O-N 3.37Å
16	V	58.6	Low	50.6	Low	79 Å²	79	118.2 Å²	118.2	48%	0.479	58%	0.582	S	S	.	*	H	α-helix	trans	-63	-42	176.6	172.9	0	0	0	0	110.9	C12 Y13 I19 Y20	C12-V16 WeakPolarHBondContact O-CB 3.2Å; C12-V16 VanDerWaalsContact O-CG2 3.23Å; C12-V16 WeakPolarHBondContact O-CG2 3.37Å; C12-V16 PolarHBondContact O-N 3.36Å; Y13-V16 PolarHBondContact O-N 2.92Å; V16-I19 PolarHBondContact O-N 3.09Å; V16-Y20 HydrophobicContact CG1-CD2 4.42Å; V16-Y20 WeakPolarHBondContact O-CB 3.43Å; V16-Y20 PolarHBondContact O-N 3.41Å
17	M	59.1	Low	51.5	Low	107 Å²	107	114.3 Å²	114.3	53%	0.527	57%	0.567	S	S	.	*	H	α-helix	trans	-68.2	-35.6	176.3	-70.1	-67.1	-98	0	0	112.5	Y13 V15 Y20 W21	Y13-M17 HydrophobicContact CD1-CG 4.47Å; Y13-M17 WeakPolarHBondContact O-CB 3.47Å; Y13-M17 VanDerWaalsContact O-CG 3.24Å; Y13-M17 WeakPolarHBondContact O-CG 3.16Å; Y13-M17 PolarHBondContact O-N 3.17Å; V15-M17 PolarHBondContact O-N 3.22Å; M17-Y20 PolarHBondContact O-N 3.38Å; M17-W21 WeakPolarHBondContact O-CB 3.11Å; M17-W21 PolarHBondContact O-N 3.13Å
18	K	57.2	Low	52.4	Low	155 Å²	155	111.4 Å²	111.4	67%	0.674	55%	0.551	S	S	*	*	H	α-helix	trans	-68.3	-37.4	172.8	-80.6	-177.5	178.5	-174	0	112.5	G14 V15 W21 L22	G14-K18 WeakPolarHBondContact O-CB 3.13Å; G14-K18 WeakPolarHBondContact O-CG 3.41Å; G14-K18 PolarHBondContact O-N 3.06Å; G14-K18 VanDerWaalsContact O-N 3.07Å; V15-K18 PolarHBondContact O-N 2.86Å; K18-W21 PolarHBondContact O-N 3.18Å; K18-L22 WeakPolarHBondContact O-CB 3.31Å; K18-L22 PolarHBondContact O-N 3.11Å
19	I	68.5	Low	53	Low	92 Å²	92	108.7 Å²	108.7	47%	0.472	54%	0.544	S	S	.	.	H	α-helix	trans	-68.1	-40.6	174.1	-67.7	166.9	0	0	0	110.1	V15 V16 L22 L23	V15-I19 HydrophobicContact CG1-CD1 3.74Å; V15-I19 HydrophobicContact CG1-CG1 4.36Å; V15-I19 VanDerWaalsContact O-CG1 3.26Å; V15-I19 WeakPolarHBondContact O-CG1 3.28Å; V15-I19 PolarHBondContact O-N 3.37Å; V16-I19 PolarHBondContact O-N 3.09Å; I19-L22 PolarHBondContact O-N 3.19Å; I19-L23 HydrophobicContact CG2-CD1 3.77Å; I19-L23 HydrophobicContact CG2-CG 4.33Å; I19-L23 WeakPolarHBondContact O-CB 3.06Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.09Å
20	Y	62.3	Low	53.1	Low	156 Å²	156	111.5 Å²	111.5	61%	0.612	55%	0.548	S	S	*	.	H	α-helix	trans	-63.8	-42.8	174.3	-115.3	-90.1	0	0	0	111.8	V16 M17 L23 L24	V16-Y20 HydrophobicContact CG1-CD2 4.42Å; V16-Y20 WeakPolarHBondContact O-CB 3.43Å; V16-Y20 PolarHBondContact O-N 3.41Å; M17-Y20 PolarHBondContact O-N 3.38Å; Y20-L23 PolarHBondContact O-N 3.08Å; Y20-L24 WeakPolarHBondContact O-CB 3.25Å; Y20-L24 PolarHBondContact O-N 3.09Å
21	W	59.4	Low	53	Low	170 Å²	170	108.5 Å²	108.5	64%	0.644	54%	0.539	S	S	*	.	H	α-helix	trans	-65.9	-36.6	173.9	-97.2	72.1	0	0	0	112.5	M17 K18 L25	M17-W21 WeakPolarHBondContact O-CB 3.11Å; M17-W21 PolarHBondContact O-N 3.13Å; K18-W21 PolarHBondContact O-N 3.18Å; W21-L25 HydrophobicContact CE3-CD1 4.24Å; W21-L25 WeakPolarHBondContact O-CB 3.35Å; W21-L25 WeakPolarHBondContact O-CD1 3.47Å; W21-L25 VanDerWaalsContact O-CG 3.23Å; W21-L25 WeakPolarHBondContact O-CG 3.38Å; W21-L25 PolarHBondContact O-N 3.26Å
22	L	65.9	Low	53	Low	115 Å²	115	106.6 Å²	106.6	60%	0.602	54%	0.539	S	S	*	.	H	α-helix	trans	-69.5	-38.7	173.4	-112.2	116.4	0	0	0	111.8	K18 I19 L25 V26	K18-L22 WeakPolarHBondContact O-CB 3.31Å; K18-L22 PolarHBondContact O-N 3.11Å; I19-L22 PolarHBondContact O-N 3.19Å; L22-L25 PolarHBondContact O-N 3.02Å; L22-V26 WeakPolarHBondContact O-CB 3.44Å; L22-V26 WeakPolarHBondContact O-CG2 3.29Å; L22-V26 PolarHBondContact O-N 3.48Å
23	L	62.4	Low	52.8	Low	98 Å²	98	107 Å²	107	51%	0.513	54%	0.543	S	S	.	.	H	α-helix	trans	-68.2	-40.1	175.2	-78.5	165.8	0	0	0	111.1	I19 Y20 V26 E27	I19-L23 HydrophobicContact CG2-CD1 3.77Å; I19-L23 HydrophobicContact CG2-CG 4.33Å; I19-L23 WeakPolarHBondContact O-CB 3.06Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.09Å; Y20-L23 PolarHBondContact O-N 3.08Å; L23-V26 CarbonylContact O-C 3.25Å; L23-V26 PolarHBondContact O-N 3.09Å; L23-E27 WeakPolarHBondContact O-CB 3.4Å; L23-E27 WeakPolarHBondContact O-CG 3.16Å; L23-E27 PolarHBondContact O-N 2.79Å
24	L	62.1	Low	52.6	Low	85 Å²	85	104.1 Å²	104.1	45%	0.445	54%	0.539	S	S	.	.	H	α-helix	trans	-70.1	-37.6	175.2	-159.1	96.6	0	0	0	111.2	Y20 V26 E27 L28	Y20-L24 WeakPolarHBondContact O-CB 3.25Å; Y20-L24 PolarHBondContact O-N 3.09Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-E27 CarbonylContact O-C 3.51Å; L24-E27 PolarHBondContact O-N 3.03Å; L24-L28 HydrophobicContact CD2-CD1 3.81Å; L24-L28 HydrophobicContact CG-CD1 4.05Å; L24-L28 WeakPolarHBondContact O-CB 3.36Å; L24-L28 WeakPolarHBondContact O-CD1 3.38Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.24Å
25	L	56	Low	52.4	Low	94 Å²	94	110.8 Å²	110.8	49%	0.492	56%	0.558	S	S	.	*	H	α-helix	trans	-69.6	-31.4	170.5	-80.5	166	0	0	0	111.4	W21 L22 A29	W21-L25 HydrophobicContact CE3-CD1 4.24Å; W21-L25 WeakPolarHBondContact O-CB 3.35Å; W21-L25 WeakPolarHBondContact O-CD1 3.47Å; W21-L25 VanDerWaalsContact O-CG 3.23Å; W21-L25 WeakPolarHBondContact O-CG 3.38Å; W21-L25 PolarHBondContact O-N 3.26Å; L22-L25 PolarHBondContact O-N 3.02Å; L25-A29 WeakPolarHBondContact O-CA 3.32Å; L25-A29 WeakPolarHBondContact O-CB 3.42Å; L25-A29 PolarHBondContact O-N 3.43Å
26	V	58.3	Low	51.7	Low	62 Å²	62	111.8 Å²	111.8	38%	0.376	57%	0.568	S	S	.	*	H	α-helix	trans	-73.5	-33	171.6	166.9	0	0	0	0	110.3	L22 L23 L24 K30	L22-V26 WeakPolarHBondContact O-CB 3.44Å; L22-V26 WeakPolarHBondContact O-CG2 3.29Å; L22-V26 PolarHBondContact O-N 3.48Å; L23-V26 CarbonylContact O-C 3.25Å; L23-V26 PolarHBondContact O-N 3.09Å; L24-V26 VanDerWaalsContact C-N 3.33Å; V26-K30 HydrophobicContact CG1-CD 3.94Å; V26-K30 HydrophobicContact CG1-CG 4.37Å; V26-K30 WeakPolarHBondContact O-CA 3.34Å; V26-K30 WeakPolarHBondContact O-CB 3.26Å; V26-K30 WeakPolarHBondContact O-CD 3.48Å; V26-K30 WeakPolarHBondContact O-CG 3.32Å; V26-K30 PolarHBondContact O-N 2.93Å
27	E	49.5	Very low	51.4	Low	123 Å²	123	111.5 Å²	111.5	58%	0.575	57%	0.568	S	S	*	*	H	α-helix	trans	-74.3	-38.4	172.7	-81.1	-174.5	166.6	0	0	112.2	L23 L24 K30 C31	L23-E27 WeakPolarHBondContact O-CB 3.4Å; L23-E27 WeakPolarHBondContact O-CG 3.16Å; L23-E27 PolarHBondContact O-N 2.79Å; L24-E27 CarbonylContact O-C 3.51Å; L24-E27 PolarHBondContact O-N 3.03Å; E27-K30 CarbonylContact O-C 3.58Å; E27-K30 PolarHBondContact O-N 3.31Å; E27-C31 WeakPolarHBondContact O-CB 3.21Å; E27-C31 PolarHBondContact O-N 3.47Å; E27-C31 PolarHBondContact O-SG 3.37Å; E27-C31 VanDerWaalsContact O-SG 3.33Å
28	L	50.4	Low	51.7	Low	88 Å²	88	117 Å²	117	46%	0.461	58%	0.583	S	S	.	*	H	α-helix	trans	-72.1	-36.8	173.3	-76.1	161.5	0	0	0	111.2	L24 C31 Q32	L24-L28 HydrophobicContact CD2-CD1 3.81Å; L24-L28 HydrophobicContact CG-CD1 4.05Å; L24-L28 WeakPolarHBondContact O-CB 3.36Å; L24-L28 WeakPolarHBondContact O-CD1 3.38Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.24Å; L28-C31 CarbonylContact O-C 3.53Å; L28-C31 WeakPolarHBondContact O-CB 3.12Å; L28-C31 PolarHBondContact O-N 3.35Å; L28-Q32 WeakPolarHBondContact O-CB 2.81Å; L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 3.43Å
29	A	44.8	Very low	52.8	Low	48 Å²	48	113.7 Å²	113.7	40%	0.397	57%	0.573	S	S	.	*	H	α-helix	trans	-75	-31.2	172.3	0	0	0	0	0	111.3	L25 C31 Q32 S33	L25-A29 WeakPolarHBondContact O-CA 3.32Å; L25-A29 WeakPolarHBondContact O-CB 3.42Å; L25-A29 PolarHBondContact O-N 3.43Å; A29-C31 VanDerWaalsContact C-N 3.3Å; A29-Q32 PolarHBondContact O-N 3.09Å; A29-S33 WeakPolarHBondContact O-CB 3.49Å; A29-S33 PolarHBondContact O-N 3.42Å; A29-S33 PolarHBondContact O-OG 3.07Å
30	K	38.4	Very low	53.8	Low	128 Å²	128	111.6 Å²	111.6	56%	0.557	56%	0.564	S	S	*	*	H	α-helix	trans	-65.8	-34.5	165.2	-79.5	167.5	-178.5	179.8	0	110.6	V26 E27 I34	V26-K30 HydrophobicContact CG1-CD 3.94Å; V26-K30 HydrophobicContact CG1-CG 4.37Å; V26-K30 WeakPolarHBondContact O-CA 3.34Å; V26-K30 WeakPolarHBondContact O-CB 3.26Å; V26-K30 WeakPolarHBondContact O-CD 3.48Å; V26-K30 WeakPolarHBondContact O-CG 3.32Å; V26-K30 PolarHBondContact O-N 2.93Å; E27-K30 CarbonylContact O-C 3.58Å; E27-K30 PolarHBondContact O-N 3.31Å; K30-I34 VanDerWaalsContact O-CG1 3.29Å; K30-I34 WeakPolarHBondContact O-CG1 3.45Å; K30-I34 PolarHBondContact O-N 3.39Å; K30-I34 VanDerWaalsContact O-N 3.08Å
31	C	39.7	Very low	55.2	Low	91 Å²	91	108.5 Å²	108.5	62%	0.615	57%	0.565	S	S	*	*	H	α-helix	trans	-72.6	-32.1	172.4	-79.2	0	0	0	0	113.3	E27 L28 A29	E27-C31 WeakPolarHBondContact O-CB 3.21Å; E27-C31 PolarHBondContact O-N 3.47Å; E27-C31 PolarHBondContact O-SG 3.37Å; E27-C31 VanDerWaalsContact O-SG 3.33Å; L28-C31 CarbonylContact O-C 3.53Å; L28-C31 WeakPolarHBondContact O-CB 3.12Å; L28-C31 PolarHBondContact O-N 3.35Å; A29-C31 VanDerWaalsContact C-N 3.3Å
32	Q	34.9	Very low	56.6	Low	174 Å²	174	100.8 Å²	100.8	81%	0.813	54%	0.537	S	S	*	.	H	α-helix	trans	-85.1	-15.3	176.5	-73	-176.7	-9.6	0	0	113.4	L28 A29	L28-Q32 WeakPolarHBondContact O-CB 2.81Å; L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 3.43Å; A29-Q32 PolarHBondContact O-N 3.09Å
33	S	34.8	Very low	57.6	Low	79 Å²	79	99.1 Å²	99.1	55%	0.552	53%	0.533	S	S	*	.	H	α-helix	trans	-110.3	5.7	177.7	66.9	0	0	0	0	114.8	A29 F35	A29-S33 WeakPolarHBondContact O-CB 3.49Å; A29-S33 PolarHBondContact O-N 3.42Å; A29-S33 PolarHBondContact O-OG 3.07Å; S33-F35 PolarHBondContact O-N 3.09Å
34	I	39.6	Very low	58.7	Low	122 Å²	122	94.5 Å²	94.5	63%	0.626	51%	0.509	S	S	*	.	S	Bend	trans	-66.8	93.7	149.4	-66.5	156.6	0	0	0	104.2	K30 S36	K30-I34 VanDerWaalsContact O-CG1 3.29Å; K30-I34 WeakPolarHBondContact O-CG1 3.45Å; K30-I34 PolarHBondContact O-N 3.39Å; K30-I34 VanDerWaalsContact O-N 3.08Å; I34-S36 PolarHBondContact O-N 3.08Å
35	F	40.4	Very low	60	Low	176 Å²	176	90.8 Å²	90.8	77%	0.772	49%	0.49	S	S	*	.			trans	-32.5	117.2	160.4	-83.9	-97.7	0	0	0	107.3	S33 P37	S33-F35 PolarHBondContact O-N 3.09Å; F35-P37 WeakPolarHBondContact O-CD 3.32Å
36	S	43.7	Very low	61.6	Low	105 Å²	105	91.5 Å²	91.5	73%	0.734	50%	0.503	S	S	*	.			trans	-47.4	116.8	160.4	-56	0	0	0	0	104.5	I34 R38	I34-S36 PolarHBondContact O-N 3.08Å; S36-R38 PolarHBondContact O-N 3.31Å
37	P	51.6	Low	63.2	Low	74 Å²	74	91.4 Å²	91.4	48%	0.481	50%	0.5	S	S	.	.			trans	-50	125.9	-179.2	18.5	-29.4	0	0	0	105.6	F35 N39	F35-P37 WeakPolarHBondContact O-CD 3.32Å; P37-N39 PolarHBondContact O-N 2.82Å; P37-N39 PolarHBondContact O-OD1 3.28Å
38	R	65.6	Low	65.3	Low	221 Å²	221	85.7 Å²	85.7	83%	0.834	47%	0.474	S	S	*	.			trans	-55.3	111.6	177.5	-80.8	-171.5	-172.7	-157.8	2.6	105.4	S36 V40	S36-R38 PolarHBondContact O-N 3.31Å; R38-V40 WeakPolarHBondContact O-CG1 3.47Å; R38-V40 PolarHBondContact O-N 2.62Å
39	N	81.5	Confident	67.3	Low	86 Å²	86	83.6 Å²	83.6	46%	0.46	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-51.7	119	175.8	-77.9	5.4	0	0	0	107.4	P37 T49	P37-N39 PolarHBondContact O-N 2.82Å; P37-N39 PolarHBondContact O-OD1 3.28Å; N39-T49 HydrophobicContact CB-CG2 4.4Å
40	V	89.4	Confident	69.6	Low	48 Å²	48	81.3 Å²	81.3	29%	0.291	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	152	-177.9	-75.1	0	0	0	0	108.9	R38 C42 T49 C50 T53	R38-V40 WeakPolarHBondContact O-CG1 3.47Å; R38-V40 PolarHBondContact O-N 2.62Å; V40-C42 PolarHBondContact O-N 3.02Å; V40-T49 CarbonylContact O-C 3.57Å; V40-T49 WeakPolarHBondContact O-CA 3.46Å; V40-C50 HydrophobicContact CG2-CB 4.35Å; V40-C50 VanDerWaalsContact CG2-O 3.23Å; V40-C50 WeakPolarHBondContact CG2-O 3.14Å; V40-C50 PolarHBondContact N-O 3.47Å; V40-C50 VanDerWaalsContact N-O 3.1Å; V40-C50 PolarHBondContact O-N 2.9Å; V40-T53 HydrophobicContact CB-CG2 3.72Å; V40-T53 HydrophobicContact CG1-CG2 4.31Å; V40-T53 HydrophobicContact CG2-CG2 3.47Å; V40-T53 VanDerWaalsContact CG2-CG2 3.47Å
41	S	90.7	Very high	72.2	Confident	91 Å²	91	76.8 Å²	76.8	64%	0.636	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	131.3	172	-59.3	0	0	0	0	110.1
42	C	89.6	Confident	74.6	Confident	8 Å²	8	74.2 Å²	74.2	5%	0.054	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.2	178.1	-65.8	0	0	0	0	110.5	V40 F44 S45 C48 T49 C50	V40-C42 PolarHBondContact O-N 3.02Å; C42-F44 HydrophobicContact CB-CD2 4.09Å; C42-F44 HydrophobicContact CB-CE1 4.38Å; C42-F44 HydrophobicContact CB-CE2 3.78Å; C42-F44 HydrophobicContact CB-CZ 3.94Å; C42-F44 PolarHBondContact O-N 3.16Å; C42-F44 VanDerWaalsContact O-N 3.16Å; C42-S45 PolarHBondContact O-N 3.1Å; C42-S45 VanDerWaalsContact O-O 3.14Å; C42-C48 HydrophobicContact CB-CB 4.43Å; C42-C48 PolarHBondContact N-O 3.47Å; C42-C48 VanDerWaalsContact N-O 3.16Å; C42-T49 PolarHBondContact SG-O 3.2Å; C42-T49 VanDerWaalsContact SG-O 3.37Å; C42-C50 VanDerWaalsContact CA-SG 3.55Å; C42-C50 HydrophobicContact CB-CB 4.17Å; C42-C50 WeakPolarHBondContact CB-SG 3.28Å; C42-C50 WeakPolarHBondContact SG-CB 3.33Å; C42-C50 PolarHBondContact SG-N 2.94Å; C42-C50 CovalentContact SG-SG 2.03Å; C42-C50 PolarHBondContact SG-SG 3.3Å
43	P	85.6	Confident	76.8	Confident	80 Å²	80	69.8 Å²	69.8	52%	0.519	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.6	179	25.5	-32.2	0	0	0	113.2
44	F	86.4	Confident	79	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.009	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-1.1	-175.5	48.6	-102.9	0	0	0	114.9	C42 C50 I59 V61 F72 T73 S76 C78 F100	C42-F44 HydrophobicContact CB-CD2 4.09Å; C42-F44 HydrophobicContact CB-CE1 4.38Å; C42-F44 HydrophobicContact CB-CE2 3.78Å; C42-F44 HydrophobicContact CB-CZ 3.94Å; C42-F44 PolarHBondContact O-N 3.16Å; C42-F44 VanDerWaalsContact O-N 3.16Å; F44-C50 WeakPolarHBondContact CZ-SG 3.35Å; F44-I59 HydrophobicContact CE1-CD1 3.77Å; F44-I59 HydrophobicContact CZ-CD1 3.88Å; F44-V61 HydrophobicContact CE2-CG1 4.16Å; F44-V61 HydrophobicContact CE2-CG2 4.12Å; F44-V61 HydrophobicContact CZ-CG2 3.72Å; F44-F72 HydrophobicContact CD2-CD1 4.08Å; F44-F72 HydrophobicContact CE2-CD1 4.5Å; F44-F72 WeakPolarHBondContact O-CA 3.23Å; F44-T73 VanDerWaalsContact CA-OG1 3.25Å; F44-T73 WeakPolarHBondContact CA-OG1 3.3Å; F44-T73 PolarHBondContact O-N 3.09Å; F44-T73 PolarHBondContact O-OG1 3.16Å; F44-S76 WeakPolarHBondContact CB-OG 3.3Å; F44-S76 VanDerWaalsContact CD1-OG 3.28Å; F44-S76 WeakPolarHBondContact CD1-OG 3.37Å; F44-C78 HydrophobicContact CE1-CB 4.26Å; F44-F100 AromaticContact CD2-CE2 3.92Å; F44-F100 HydrophobicContact CD2-CE2 3.92Å; F44-F100 HydrophobicContact CD2-CZ 4.03Å; F44-F100 HydrophobicContact CE2-CE2 4.24Å; F44-F100 AromaticContact CE2-CZ 3.88Å; F44-F100 HydrophobicContact CE2-CZ 3.88Å; F44-F100 HydrophobicContact CG-CE2 4.15Å; F44-F100 HydrophobicContact CZ-CZ 4.31Å
45	S	89.5	Confident	81	Confident	6 Å²	6	68.6 Å²	68.6	4%	0.042	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	124.8	173.2	-175.4	0	0	0	0	110.6	C42 D47 C48 I71	C42-S45 PolarHBondContact O-N 3.1Å; C42-S45 VanDerWaalsContact O-O 3.14Å; S45-D47 PolarHBondContact O-N 3.3Å; S45-D47 PolarHBondContact OG-N 3.22Å; S45-C48 PolarHBondContact OG-SG 2.94Å; S45-I71 PolarHBondContact OG-O 3.22Å; S45-I71 VanDerWaalsContact OG-O 3.05Å
46	S	88.8	Confident	83	Confident	109 Å²	109	65.4 Å²	65.4	76%	0.762	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	-18.8	174	51.9	0	0	0	0	113.2	C48	S46-C48 VanDerWaalsContact C-N 3.28Å
47	D	91.5	Very high	84.9	Confident	60 Å²	60	61.7 Å²	61.7	32%	0.321	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-7.3	-175.5	-53.8	-30.1	0	0	0	111.9	S45 Q66 P70	S45-D47 PolarHBondContact O-N 3.3Å; S45-D47 PolarHBondContact OG-N 3.22Å; D47-Q66 PolarHBondContact O-NE2 3.37Å; D47-P70 HydrophobicContact CB-CB 4.09Å
48	C	93.6	Very high	86.8	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.02	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.5	-171.2	-50.2	0	0	0	0	112	C42 S45 S46 V61 W62 C63	C42-C48 HydrophobicContact CB-CB 4.43Å; C42-C48 PolarHBondContact N-O 3.47Å; C42-C48 VanDerWaalsContact N-O 3.16Å; S45-C48 PolarHBondContact OG-SG 2.94Å; S46-C48 VanDerWaalsContact C-N 3.28Å; C48-V61 HydrophobicContact CB-CG1 3.91Å; C48-W62 CarbonylContact C-O 3.53Å; C48-W62 WeakPolarHBondContact CA-O 3.47Å; C48-C63 HydrophobicContact CB-CB 4.01Å; C48-C63 WeakPolarHBondContact CB-SG 3.39Å; C48-C63 WeakPolarHBondContact SG-CB 3.42Å; C48-C63 CovalentContact SG-SG 2.03Å; C48-C63 PolarHBondContact SG-SG 2.98Å
49	T	94.4	Very high	88.1	Confident	44 Å²	44	51.9 Å²	51.9	27%	0.27	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	150.4	172.4	65.7	0	0	0	0	111.3	N39 V40 C42 V61 W62	N39-T49 HydrophobicContact CB-CG2 4.4Å; V40-T49 CarbonylContact O-C 3.57Å; V40-T49 WeakPolarHBondContact O-CA 3.46Å; C42-T49 PolarHBondContact SG-O 3.2Å; C42-T49 VanDerWaalsContact SG-O 3.37Å; T49-V61 CarbonylContact O-C 3.34Å; T49-V61 WeakPolarHBondContact O-CA 3.39Å; T49-W62 PolarHBondContact N-O 2.74Å; T49-W62 PolarHBondContact O-N 3.46Å; T49-W62 PolarHBondContact OG1-O 3.22Å
50	C	93.1	Very high	88.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.2	-170.3	-80.2	0	0	0	0	110.7	V40 C42 F44 S52 D60	V40-C50 HydrophobicContact CG2-CB 4.35Å; V40-C50 VanDerWaalsContact CG2-O 3.23Å; V40-C50 WeakPolarHBondContact CG2-O 3.14Å; V40-C50 PolarHBondContact N-O 3.47Å; V40-C50 VanDerWaalsContact N-O 3.1Å; V40-C50 PolarHBondContact O-N 2.9Å; C42-C50 VanDerWaalsContact CA-SG 3.55Å; C42-C50 HydrophobicContact CB-CB 4.17Å; C42-C50 WeakPolarHBondContact CB-SG 3.28Å; C42-C50 WeakPolarHBondContact SG-CB 3.33Å; C42-C50 PolarHBondContact SG-N 2.94Å; C42-C50 CovalentContact SG-SG 2.03Å; C42-C50 PolarHBondContact SG-SG 3.3Å; F44-C50 WeakPolarHBondContact CZ-SG 3.35Å; C50-S52 VanDerWaalsContact C-N 3.27Å; C50-S52 PolarHBondContact O-N 3.25Å; C50-D60 CarbonylContact C-O 3.29Å; C50-D60 VanDerWaalsContact CA-O 3.31Å; C50-D60 WeakPolarHBondContact CA-O 3.36Å
51	S	92.8	Very high	88.9	Confident	34 Å²	34	48.3 Å²	48.3	24%	0.238	31%	0.308	C	S	.	.	S	Bend	trans	-69.1	-25.8	174.2	63.4	0	0	0	0	113.3	D60	S51-D60 PolarHBondContact N-O 2.86Å; S51-D60 PolarHBondContact OG-N 3.11Å; S51-D60 VanDerWaalsContact OG-N 3.1Å
52	S	88.5	Confident	89.2	Confident	37 Å²	37	47.5 Å²	47.5	26%	0.259	29%	0.291	S	S	.	.			trans	-150.3	142.3	177.3	177	0	0	0	0	110.1	C50 Q54	C50-S52 VanDerWaalsContact C-N 3.27Å; C50-S52 PolarHBondContact O-N 3.25Å; S52-Q54 VanDerWaalsContact C-N 3.34Å; S52-Q54 WeakPolarHBondContact OG-CA 3.5Å; S52-Q54 PolarHBondContact OG-N 3.25Å; S52-Q54 PolarHBondContact OG-O 3.02Å
53	T	82.6	Confident	89.5	Confident	80 Å²	80	47.1 Å²	47.1	49%	0.491	29%	0.288	S	S	.	.	S	Bend	trans	-82	-18.5	165.7	54.1	0	0	0	0	112.1	V40 C55	V40-T53 HydrophobicContact CB-CG2 3.72Å; V40-T53 HydrophobicContact CG1-CG2 4.31Å; V40-T53 HydrophobicContact CG2-CG2 3.47Å; V40-T53 VanDerWaalsContact CG2-CG2 3.47Å; T53-C55 PolarHBondContact O-N 3.25Å
54	Q	80.7	Confident	89.9	Confident	136 Å²	136	46.3 Å²	46.3	64%	0.636	28%	0.282	S	S	*	.			trans	-86.7	106.7	176.9	-59	-175.8	4.8	0	0	107.8	S52 S56	S52-Q54 VanDerWaalsContact C-N 3.34Å; S52-Q54 WeakPolarHBondContact OG-CA 3.5Å; S52-Q54 PolarHBondContact OG-N 3.25Å; S52-Q54 PolarHBondContact OG-O 3.02Å; Q54-S56 PolarHBondContact O-N 3.48Å
55	C	80.9	Confident	90.2	Very high	40 Å²	40	51.7 Å²	51.7	27%	0.27	31%	0.311	S	S	.	.			trans	-77.8	42.3	175.6	-65.9	0	0	0	0	112.5	T53 G57 C78	T53-C55 PolarHBondContact O-N 3.25Å; C55-G57 VanDerWaalsContact C-N 3.27Å; C55-C78 HydrophobicContact CB-CB 3.7Å; C55-C78 WeakPolarHBondContact CB-SG 3.31Å; C55-C78 WeakPolarHBondContact SG-CB 3.5Å; C55-C78 CovalentContact SG-SG 2.01Å; C55-C78 PolarHBondContact SG-SG 2.94Å
56	S	82.4	Confident	90.3	Very high	109 Å²	109	52.2 Å²	52.2	76%	0.762	31%	0.312	S	S	*	.	S	Bend	trans	-82.6	-3.7	178.4	50.2	0	0	0	0	113.3	Q54	Q54-S56 PolarHBondContact O-N 3.48Å
57	G	84.4	Confident	90.4	Very high	27 Å²	27	58 Å²	58	28%	0.278	32%	0.318	S	S	.	.	S	Bend	trans	-167.3	-174.3	177.8	0	0	0	0	0	111.3	C55 I59	C55-G57 VanDerWaalsContact C-N 3.27Å; G57-I59 PolarHBondContact O-N 3.26Å
58	P	90.5	Very high	90.3	Very high	87 Å²	87	61.1 Å²	61.1	57%	0.565	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	128.4	178.1	22	-31.1	0	0	0	111.5	E79 A81	P58-E79 CarbonylContact C-O 3.43Å; P58-E79 VanDerWaalsContact CA-O 3.26Å; P58-E79 WeakPolarHBondContact CA-O 3.18Å; P58-A81 HydrophobicContact CB-CB 3.93Å
59	I	92.9	Very high	90.2	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	154.4	176.6	64	169.6	0	0	0	111.4	F44 G57 V61 C78 E79 V80 A81	F44-I59 HydrophobicContact CE1-CD1 3.77Å; F44-I59 HydrophobicContact CZ-CD1 3.88Å; G57-I59 PolarHBondContact O-N 3.26Å; I59-V61 HydrophobicContact CD1-CG2 4.25Å; I59-V61 HydrophobicContact CG1-CG2 4.39Å; I59-C78 HydrophobicContact CD1-CB 3.99Å; I59-C78 HydrophobicContact CG1-CB 4.49Å; I59-E79 WeakPolarHBondContact CG1-O 3.41Å; I59-E79 PolarHBondContact N-O 2.76Å; I59-V80 HydrophobicContact CD1-CG2 4.43Å; I59-V80 HydrophobicContact CG1-CG2 4.18Å; I59-V80 CarbonylContact O-C 3.46Å; I59-V80 WeakPolarHBondContact O-CA 3.24Å; I59-A81 PolarHBondContact O-N 3.39Å
60	D	94.5	Very high	90.1	Very high	59 Å²	59	59.7 Å²	59.7	32%	0.316	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.6	170.7	-64.9	-51.3	0	0	0	109.3	C50 S51 W62 S82	C50-D60 CarbonylContact C-O 3.29Å; C50-D60 VanDerWaalsContact CA-O 3.31Å; C50-D60 WeakPolarHBondContact CA-O 3.36Å; S51-D60 PolarHBondContact N-O 2.86Å; S51-D60 PolarHBondContact OG-N 3.11Å; S51-D60 VanDerWaalsContact OG-N 3.1Å; D60-W62 HydrophobicContact CB-CH2 3.54Å; D60-W62 HydrophobicContact CB-CZ2 3.53Å; D60-W62 HydrophobicContact CB-CZ3 4.18Å; D60-S82 WeakPolarHBondContact CA-O 3.25Å; D60-S82 VanDerWaalsContact OD1-CB 3.22Å; D60-S82 WeakPolarHBondContact OD1-CB 3.48Å; D60-S82 PolarHBondContact OD1-N 2.95Å
61	V	94.5	Very high	89.8	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.3	-174.1	-176.1	0	0	0	0	109.8	F44 C48 T49 I59 V80 S82 L83 L84	F44-V61 HydrophobicContact CE2-CG1 4.16Å; F44-V61 HydrophobicContact CE2-CG2 4.12Å; F44-V61 HydrophobicContact CZ-CG2 3.72Å; C48-V61 HydrophobicContact CB-CG1 3.91Å; T49-V61 CarbonylContact O-C 3.34Å; T49-V61 WeakPolarHBondContact O-CA 3.39Å; I59-V61 HydrophobicContact CD1-CG2 4.25Å; I59-V61 HydrophobicContact CG1-CG2 4.39Å; V61-V80 HydrophobicContact CB-CG1 4.39Å; V61-V80 HydrophobicContact CG2-CG1 3.75Å; V61-V80 HydrophobicContact CG2-CG2 4.11Å; V61-S82 PolarHBondContact N-O 3.03Å; V61-L83 HydrophobicContact CB-CD1 3.71Å; V61-L83 HydrophobicContact CG1-CD1 3.49Å; V61-L83 VanDerWaalsContact CG1-CD1 3.49Å; V61-L84 PolarHBondContact O-N 2.83Å
62	W	96.5	Very high	89.6	Confident	73 Å²	73	63.6 Å²	63.6	28%	0.277	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117.3	178.4	-55.5	-84	0	0	0	110.8	C48 T49 D60 T64	C48-W62 CarbonylContact C-O 3.53Å; C48-W62 WeakPolarHBondContact CA-O 3.47Å; T49-W62 PolarHBondContact N-O 2.74Å; T49-W62 PolarHBondContact O-N 3.46Å; T49-W62 PolarHBondContact OG1-O 3.22Å; D60-W62 HydrophobicContact CB-CH2 3.54Å; D60-W62 HydrophobicContact CB-CZ2 3.53Å; D60-W62 HydrophobicContact CB-CZ3 4.18Å; W62-T64 HydrophobicContact CB-CG2 4.49Å
63	C	95.5	Very high	89.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	90.3	171.6	-41.7	0	0	0	0	107.6	C48 Q66 P70 L84 I85 E86	C48-C63 HydrophobicContact CB-CB 4.01Å; C48-C63 WeakPolarHBondContact CB-SG 3.39Å; C48-C63 WeakPolarHBondContact SG-CB 3.42Å; C48-C63 CovalentContact SG-SG 2.03Å; C48-C63 PolarHBondContact SG-SG 2.98Å; C63-Q66 HydrophobicContact CB-CG 4.03Å; C63-Q66 WeakPolarHBondContact O-CG 3.46Å; C63-P70 HydrophobicContact CB-CG 4.23Å; C63-L84 PolarHBondContact N-O 3.01Å; C63-I85 HydrophobicContact CB-CG1 4.37Å; C63-I85 HydrophobicContact CB-CG2 4.47Å; C63-E86 PolarHBondContact O-N 3.37Å
64	T	94.5	Very high	88.7	Confident	64 Å²	64	65 Å²	65	39%	0.393	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	160.1	-176.6	57.3	0	0	0	0	111.5	W62 Q66 E86	W62-T64 HydrophobicContact CB-CG2 4.49Å; T64-Q66 PolarHBondContact O-N 2.86Å; T64-Q66 VanDerWaalsContact O-N 3.16Å; T64-Q66 PolarHBondContact O-NE2 2.89Å; T64-E86 CarbonylContact C-O 3.58Å
65	D	91.7	Very high	87.9	Confident	114 Å²	114	64.4 Å²	64.4	61%	0.61	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54	31.6	178.8	-61.9	-47.3	0	0	0	114.9	R67 E86 K112	D65-R67 PolarHBondContact O-N 3.27Å; D65-E86 PolarHBondContact N-O 2.92Å; D65-E86 VanDerWaalsContact N-O 3.11Å; D65-K112 IonicContact OD1-NZ 2.65Å
66	Q	91.4	Very high	87.4	Confident	17 Å²	17	64.1 Å²	64.1	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135.2	-178.8	-56.8	-61.9	-57.9	0	0	110.3	D47 C63 T64 Q68 I85 E86 G87 H88	D47-Q66 PolarHBondContact O-NE2 3.37Å; C63-Q66 HydrophobicContact CB-CG 4.03Å; C63-Q66 WeakPolarHBondContact O-CG 3.46Å; T64-Q66 PolarHBondContact O-N 2.86Å; T64-Q66 VanDerWaalsContact O-N 3.16Å; T64-Q66 PolarHBondContact O-NE2 2.89Å; Q66-Q68 WeakPolarHBondContact CB-O 3.46Å; Q66-I85 HydrophobicContact CG-CG2 4.44Å; Q66-E86 WeakPolarHBondContact CG-O 3.36Å; Q66-E86 PolarHBondContact N-O 3.22Å; Q66-G87 CarbonylContact O-C 3.21Å; Q66-G87 WeakPolarHBondContact O-CA 3.32Å; Q66-H88 PolarHBondContact O-N 3.05Å
67	R	90.6	Very high	87.3	Confident	231 Å²	231	65.3 Å²	65.3	87%	0.872	35%	0.348	S	S	*	.	S	Bend	trans	-99.1	-9.9	171.9	-65.4	-174.9	-179.4	-177.7	-0	113.3	D65 H88	D65-R67 PolarHBondContact O-N 3.27Å; R67-H88 CarbonylContact C-O 3.21Å; R67-H88 VanDerWaalsContact O-O 3.09Å
68	Q	90.2	Very high	87.3	Confident	125 Å²	125	64.2 Å²	64.2	58%	0.584	34%	0.336	S	S	*	.	S	Bend	trans	-149.3	157.6	177.8	63.9	-176.6	21.5	0	0	106.8	Q66	Q66-Q68 WeakPolarHBondContact CB-O 3.46Å
69	F	91.9	Very high	87.3	Confident	17 Å²	17	63.6 Å²	63.6	8%	0.075	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-62.5	130.2	176.8	-160.8	-87.1	0	0	0	110.4	F72 I85 Y89 V92 P93 L97 L109	F69-F72 HydrophobicContact CE1-CE2 4.41Å; F69-I85 HydrophobicContact CE1-CD1 4.08Å; F69-I85 HydrophobicContact CE2-CD1 4Å; F69-I85 HydrophobicContact CE2-CG2 4.36Å; F69-I85 HydrophobicContact CZ-CD1 3.49Å; F69-I85 VanDerWaalsContact CZ-CD1 3.49Å; F69-Y89 HydrophobicContact CD2-CD2 4.03Å; F69-Y89 HydrophobicContact CD2-CE2 4.08Å; F69-Y89 HydrophobicContact CD2-CG 4.38Å; F69-Y89 HydrophobicContact CE2-CE2 4.37Å; F69-V92 HydrophobicContact CD2-CB 4.48Å; F69-V92 HydrophobicContact CD2-CG1 4.39Å; F69-V92 HydrophobicContact CD2-CG2 4.2Å; F69-V92 HydrophobicContact CE2-CB 4.25Å; F69-V92 HydrophobicContact CE2-CG1 3.78Å; F69-V92 HydrophobicContact CE2-CG2 3.94Å; F69-V92 HydrophobicContact CZ-CG1 3.89Å; F69-P93 HydrophobicContact CB-CG 4.15Å; F69-P93 HydrophobicContact CD1-CG 4.17Å; F69-P93 HydrophobicContact CG-CG 4.3Å; F69-L97 HydrophobicContact CE1-CD1 4.37Å; F69-L97 HydrophobicContact CE1-CD2 4.41Å; F69-L97 HydrophobicContact CE1-CG 3.85Å; F69-L97 HydrophobicContact CZ-CD1 3.75Å; F69-L97 HydrophobicContact CZ-CD2 4.29Å; F69-L97 HydrophobicContact CZ-CG 3.72Å; F69-L109 HydrophobicContact CE2-CD2 4.23Å
70	P	92	Very high	87.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-65.2	150.6	-173.6	26.3	-35.2	0	0	0	111.9	D47 C63 F72 I85	D47-P70 HydrophobicContact CB-CB 4.09Å; C63-P70 HydrophobicContact CB-CG 4.23Å; P70-F72 HydrophobicContact CB-CE2 4.36Å; P70-F72 HydrophobicContact CB-CZ 4.23Å; P70-F72 HydrophobicContact CG-CE2 3.92Å; P70-F72 HydrophobicContact CG-CZ 3.82Å; P70-I85 HydrophobicContact CG-CD1 3.89Å; P70-I85 HydrophobicContact CG-CG1 4.25Å; P70-I85 HydrophobicContact CG-CG2 3.83Å
71	I	87.7	Confident	87.4	Confident	110 Å²	110	61.9 Å²	61.9	56%	0.564	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-100	133.6	175.8	-56.7	174.1	0	0	0	108.5	S45	S45-I71 PolarHBondContact OG-O 3.22Å; S45-I71 VanDerWaalsContact OG-O 3.05Å
72	F	87.7	Confident	87.5	Confident	7 Å²	7	63.7 Å²	63.7	3%	0.031	33%	0.333	C	S	.	.			trans	-109.7	135.3	176.9	-59.4	-81.1	0	0	0	109.6	F44 F69 P70 L83 I85 L97 F100	F44-F72 HydrophobicContact CD2-CD1 4.08Å; F44-F72 HydrophobicContact CE2-CD1 4.5Å; F44-F72 WeakPolarHBondContact O-CA 3.23Å; F69-F72 HydrophobicContact CE1-CE2 4.41Å; P70-F72 HydrophobicContact CB-CE2 4.36Å; P70-F72 HydrophobicContact CB-CZ 4.23Å; P70-F72 HydrophobicContact CG-CE2 3.92Å; P70-F72 HydrophobicContact CG-CZ 3.82Å; F72-L83 HydrophobicContact CE1-CD1 4.35Å; F72-L83 HydrophobicContact CZ-CD1 4.18Å; F72-L83 HydrophobicContact CZ-CD2 4.12Å; F72-I85 HydrophobicContact CE2-CD1 4.21Å; F72-I85 HydrophobicContact CZ-CD1 4.07Å; F72-L97 HydrophobicContact CD2-CD2 4.43Å; F72-L97 HydrophobicContact CE2-CD2 3.89Å; F72-F100 HydrophobicContact CB-CB 4.27Å; F72-F100 HydrophobicContact CB-CD2 3.95Å; F72-F100 HydrophobicContact CB-CG 4.17Å; F72-F100 HydrophobicContact CD1-CD2 4.43Å; F72-F100 HydrophobicContact CD1-CE1 4.47Å; F72-F100 HydrophobicContact CD1-CE2 4.33Å; F72-F100 HydrophobicContact CD1-CZ 4.35Å; F72-F100 HydrophobicContact CG-CD2 4.3Å; F72-F100 HydrophobicContact CG-CG 4.23Å
73	T	81.3	Confident	87.4	Confident	81 Å²	81	60.2 Å²	60.2	50%	0.497	32%	0.32	S	S	.	.			trans	-84.7	140.6	171.9	60.7	0	0	0	0	109.9	F44	F44-T73 VanDerWaalsContact CA-OG1 3.25Å; F44-T73 WeakPolarHBondContact CA-OG1 3.3Å; F44-T73 PolarHBondContact O-N 3.09Å; F44-T73 PolarHBondContact O-OG1 3.16Å
74	A	70.7	Confident	87.5	Confident	65 Å²	65	61.6 Å²	61.6	54%	0.537	33%	0.327	S	S	.	.	S	Bend	trans	-64.1	152.4	174.1	0	0	0	0	0	111.7	T101	A74-T101 HydrophobicContact CB-CG2 4.07Å
75	N	65.3	Low	87.6	Confident	123 Å²	123	58.6 Å²	58.6	66%	0.658	31%	0.308	S	S	*	.			trans	85.3	40.2	155	-144.4	30.1	0	0	0	118.4	T101	N75-T101 PolarHBondContact N-OG1 2.97Å
76	S	70.3	Confident	87.8	Confident	34 Å²	34	55.3 Å²	55.3	24%	0.238	29%	0.289	C	S	.	.			trans	-91.1	-12.5	172	31.9	0	0	0	0	114.6	F44 C78 D102	F44-S76 WeakPolarHBondContact CB-OG 3.3Å; F44-S76 VanDerWaalsContact CD1-OG 3.28Å; F44-S76 WeakPolarHBondContact CD1-OG 3.37Å; S76-C78 VanDerWaalsContact CB-SG 3.51Å; S76-C78 PolarHBondContact O-N 3.1Å; S76-C78 VanDerWaalsContact O-N 3.17Å; S76-C78 PolarHBondContact O-SG 3.28Å; S76-D102 PolarHBondContact OG-OD1 3.2Å; S76-D102 PolarHBondContact OG-OD2 3.11Å
77	N	78.5	Confident	87.9	Confident	134 Å²	134	54.5 Å²	54.5	72%	0.717	29%	0.286	S	S	*	.			trans	52.4	30.3	-177.4	-73.8	-29.9	0	0	0	112.9	D102	N77-D102 WeakPolarHBondContact CA-OD1 3.31Å; N77-D102 PolarHBondContact N-OD1 3.35Å
78	C	86.1	Confident	87.9	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.027	27%	0.267	C	S	.	.			trans	-83.1	147	178.4	-52.2	0	0	0	0	110.3	F44 C55 I59 S76 D102 R103	F44-C78 HydrophobicContact CE1-CB 4.26Å; C55-C78 HydrophobicContact CB-CB 3.7Å; C55-C78 WeakPolarHBondContact CB-SG 3.31Å; C55-C78 WeakPolarHBondContact SG-CB 3.5Å; C55-C78 CovalentContact SG-SG 2.01Å; C55-C78 PolarHBondContact SG-SG 2.94Å; I59-C78 HydrophobicContact CD1-CB 3.99Å; I59-C78 HydrophobicContact CG1-CB 4.49Å; S76-C78 VanDerWaalsContact CB-SG 3.51Å; S76-C78 PolarHBondContact O-N 3.1Å; S76-C78 VanDerWaalsContact O-N 3.17Å; S76-C78 PolarHBondContact O-SG 3.28Å; C78-D102 WeakPolarHBondContact CB-OD2 3.21Å; C78-D102 VanDerWaalsContact N-CG 3.35Å; C78-D102 PolarHBondContact N-OD1 3.36Å; C78-D102 VanDerWaalsContact O-CB 3.22Å; C78-D102 WeakPolarHBondContact O-CB 3.29Å; C78-R103 PolarHBondContact O-N 2.74Å
79	E	89.9	Confident	87.9	Confident	74 Å²	74	43.1 Å²	43.1	35%	0.346	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.9	165.2	-170.5	168.3	138.5	0	0	107.3	P58 I59 F105	P58-E79 CarbonylContact C-O 3.43Å; P58-E79 VanDerWaalsContact CA-O 3.26Å; P58-E79 WeakPolarHBondContact CA-O 3.18Å; I59-E79 WeakPolarHBondContact CG1-O 3.41Å; I59-E79 PolarHBondContact N-O 2.76Å; E79-F105 HydrophobicContact CG-CD2 4.33Å; E79-F105 HydrophobicContact CG-CE2 3.46Å; E79-F105 VanDerWaalsContact CG-CE2 3.46Å; E79-F105 HydrophobicContact CG-CZ 4.29Å; E79-F105 WeakPolarHBondContact OE1-CE2 3.25Å
80	V	93.1	Very high	87.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	106.2	-179.4	178.4	0	0	0	0	108.4	I59 V61 S82 L83 F100 D102 R103 V104 F105	I59-V80 HydrophobicContact CD1-CG2 4.43Å; I59-V80 HydrophobicContact CG1-CG2 4.18Å; I59-V80 CarbonylContact O-C 3.46Å; I59-V80 WeakPolarHBondContact O-CA 3.24Å; V61-V80 HydrophobicContact CB-CG1 4.39Å; V61-V80 HydrophobicContact CG2-CG1 3.75Å; V61-V80 HydrophobicContact CG2-CG2 4.11Å; V80-S82 WeakPolarHBondContact CG1-O 3.25Å; V80-L83 HydrophobicContact CG1-CB 4.09Å; V80-F100 HydrophobicContact CG2-CE1 4.2Å; V80-F100 HydrophobicContact CG2-CZ 3.9Å; V80-D102 HydrophobicContact CG2-CB 4.37Å; V80-R103 WeakPolarHBondContact CA-O 3.25Å; V80-R103 PolarHBondContact N-O 3.07Å; V80-V104 HydrophobicContact CB-CG2 4.09Å; V80-V104 HydrophobicContact CG1-CG1 4.28Å; V80-V104 HydrophobicContact CG1-CG2 4.39Å; V80-V104 WeakPolarHBondContact O-CA 3.47Å; V80-F105 PolarHBondContact O-N 2.88Å
81	A	95.2	Very high	87.9	Confident	26 Å²	26	48.4 Å²	48.4	22%	0.215	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	-48.9	174.8	0	0	0	0	0	110.5	P58 I59 N106	P58-A81 HydrophobicContact CB-CB 3.93Å; I59-A81 PolarHBondContact O-N 3.39Å; A81-N106 WeakPolarHBondContact O-CB 3.41Å; A81-N106 PolarHBondContact O-N 2.91Å; A81-N106 PolarHBondContact O-ND2 3.49Å
82	S	96.6	Very high	88.2	Confident	39 Å²	39	43.1 Å²	43.1	27%	0.273	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	133	-178.3	-166.5	0	0	0	0	111.9	D60 V61 V80 N106	D60-S82 WeakPolarHBondContact CA-O 3.25Å; D60-S82 VanDerWaalsContact OD1-CB 3.22Å; D60-S82 WeakPolarHBondContact OD1-CB 3.48Å; D60-S82 PolarHBondContact OD1-N 2.95Å; V61-S82 PolarHBondContact N-O 3.03Å; V80-S82 WeakPolarHBondContact CG1-O 3.25Å; S82-N106 WeakPolarHBondContact CA-O 3.28Å
83	L	95.9	Very high	88.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.5	172.5	175.4	57.5	0	0	0	109.2	V61 F72 V80 I85 L97 F100 V104 N106 L107 K108	V61-L83 HydrophobicContact CB-CD1 3.71Å; V61-L83 HydrophobicContact CG1-CD1 3.49Å; V61-L83 VanDerWaalsContact CG1-CD1 3.49Å; F72-L83 HydrophobicContact CE1-CD1 4.35Å; F72-L83 HydrophobicContact CZ-CD1 4.18Å; F72-L83 HydrophobicContact CZ-CD2 4.12Å; V80-L83 HydrophobicContact CG1-CB 4.09Å; L83-I85 HydrophobicContact CD1-CG1 4.11Å; L83-I85 HydrophobicContact CD2-CD1 4.26Å; L83-I85 HydrophobicContact CG-CD1 4.33Å; L83-I85 HydrophobicContact CG-CG1 4.1Å; L83-L97 HydrophobicContact CD2-CD2 3.79Å; L83-F100 HydrophobicContact CD2-CD1 4.41Å; L83-F100 HydrophobicContact CD2-CE1 4.15Å; L83-V104 HydrophobicContact CB-CG1 3.94Å; L83-N106 PolarHBondContact N-O 2.81Å; L83-L107 HydrophobicContact CB-CD1 4.12Å; L83-L107 HydrophobicContact CD2-CD1 3.95Å; L83-L107 HydrophobicContact CG-CD1 3.84Å; L83-L107 WeakPolarHBondContact O-CA 3.34Å; L83-L107 WeakPolarHBondContact O-CD1 3.33Å; L83-K108 PolarHBondContact O-N 2.95Å
84	L	97.2	Very high	88.9	Confident	29 Å²	29	42.4 Å²	42.4	15%	0.152	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.4	170.6	175.6	66.2	0	0	0	109.8	V61 C63 K108 I110	V61-L84 PolarHBondContact O-N 2.83Å; C63-L84 PolarHBondContact N-O 3.01Å; L84-K108 WeakPolarHBondContact CA-O 3.4Å; L84-K108 HydrophobicContact CD1-CB 3.88Å; L84-K108 HydrophobicContact CD1-CD 4.07Å; L84-K108 HydrophobicContact CD1-CG 3.76Å; L84-I110 HydrophobicContact CD1-CD1 3.91Å; L84-I110 HydrophobicContact CD1-CG1 4.08Å
85	I	95.9	Very high	89.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	106.5	171.2	-52.6	178.3	0	0	0	108.8	C63 Q66 F69 P70 F72 L83 Y89 L97 L107 K108 L109 I110	C63-I85 HydrophobicContact CB-CG1 4.37Å; C63-I85 HydrophobicContact CB-CG2 4.47Å; Q66-I85 HydrophobicContact CG-CG2 4.44Å; F69-I85 HydrophobicContact CE1-CD1 4.08Å; F69-I85 HydrophobicContact CE2-CD1 4Å; F69-I85 HydrophobicContact CE2-CG2 4.36Å; F69-I85 HydrophobicContact CZ-CD1 3.49Å; F69-I85 VanDerWaalsContact CZ-CD1 3.49Å; P70-I85 HydrophobicContact CG-CD1 3.89Å; P70-I85 HydrophobicContact CG-CG1 4.25Å; P70-I85 HydrophobicContact CG-CG2 3.83Å; F72-I85 HydrophobicContact CE2-CD1 4.21Å; F72-I85 HydrophobicContact CZ-CD1 4.07Å; L83-I85 HydrophobicContact CD1-CG1 4.11Å; L83-I85 HydrophobicContact CD2-CD1 4.26Å; L83-I85 HydrophobicContact CG-CD1 4.33Å; L83-I85 HydrophobicContact CG-CG1 4.1Å; I85-Y89 HydrophobicContact CG2-CE1 3.84Å; I85-Y89 PolarHBondContact O-OH 3.43Å; I85-L97 HydrophobicContact CD1-CD2 4.19Å; I85-L107 HydrophobicContact CD1-CD1 4.43Å; I85-K108 PolarHBondContact N-O 3.45Å; I85-L109 HydrophobicContact CB-CD2 3.73Å; I85-L109 HydrophobicContact CD1-CD2 3.91Å; I85-L109 HydrophobicContact CG1-CD2 4.09Å; I85-I110 PolarHBondContact O-N 3.2Å
86	E	96	Very high	90.4	Very high	46 Å²	46	44 Å²	44	22%	0.215	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.8	179.3	179.9	-171.1	166	0	0	110.6	C63 T64 D65 Q66 I110 K112	C63-E86 PolarHBondContact O-N 3.37Å; T64-E86 CarbonylContact C-O 3.58Å; D65-E86 PolarHBondContact N-O 2.92Å; D65-E86 VanDerWaalsContact N-O 3.11Å; Q66-E86 WeakPolarHBondContact CG-O 3.36Å; Q66-E86 PolarHBondContact N-O 3.22Å; E86-I110 WeakPolarHBondContact CA-O 3.31Å; E86-I110 HydrophobicContact CB-CB 4.11Å; E86-I110 HydrophobicContact CG-CB 3.97Å; E86-I110 HydrophobicContact CG-CG2 4.08Å; E86-K112 WeakPolarHBondContact OE1-CE 3.4Å; E86-K112 IonicContact OE1-NZ 3.73Å; E86-K112 PolarHBondContact OE1-NZ 3.4Å
87	G	93.9	Very high	91.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.6	-171.8	177.3	0	0	0	0	0	115.1	Q66 I110 S111 K112	Q66-G87 CarbonylContact O-C 3.21Å; Q66-G87 WeakPolarHBondContact O-CA 3.32Å; G87-I110 PolarHBondContact N-O 3.08Å; G87-S111 WeakPolarHBondContact O-CA 3.49Å; G87-K112 PolarHBondContact O-N 3.02Å
88	H	91.6	Very high	91.5	Very high	104 Å²	104	37.3 Å²	37.3	48%	0.481	20%	0.195	S	C	.	.			trans	-102.1	88.1	174.3	-55.5	81.4	0	0	0	107.9	Q66 R67 K112	Q66-H88 PolarHBondContact O-N 3.05Å; R67-H88 CarbonylContact C-O 3.21Å; R67-H88 VanDerWaalsContact O-O 3.09Å; H88-K112 WeakPolarHBondContact CD2-CB 3.26Å; H88-K112 WeakPolarHBondContact CE1-CD 3.42Å; H88-K112 WeakPolarHBondContact NE2-CB 3.22Å
89	Y	90.3	Very high	91.3	Very high	12 Å²	12	39.1 Å²	39.1	5%	0.047	21%	0.21	C	C	.	.			trans	-134.8	143.8	176.1	50.5	-96	0	0	0	109.1	F69 I85 V92 I110 S111 L117	F69-Y89 HydrophobicContact CD2-CD2 4.03Å; F69-Y89 HydrophobicContact CD2-CE2 4.08Å; F69-Y89 HydrophobicContact CD2-CG 4.38Å; F69-Y89 HydrophobicContact CE2-CE2 4.37Å; I85-Y89 HydrophobicContact CG2-CE1 3.84Å; I85-Y89 PolarHBondContact O-OH 3.43Å; Y89-V92 HydrophobicContact CE2-CG2 4.44Å; Y89-I110 PolarHBondContact OH-O 2.86Å; Y89-S111 PolarHBondContact O-OG 3.36Å; Y89-S111 VanDerWaalsContact O-OG 3.08Å; Y89-L117 HydrophobicContact CD2-CD1 4.19Å; Y89-L117 HydrophobicContact CE2-CD1 4.38Å
90	D	90	Very high	91	Very high	80 Å²	80	35.7 Å²	35.7	43%	0.428	19%	0.194	S	C	.	.	S	Bend	trans	-105.4	-0.4	-176.9	61.6	-2.5	0	0	0	112.9	T115 L117 Q118	D90-T115 WeakPolarHBondContact CB-OG1 3.36Å; D90-T115 PolarHBondContact OD2-OG1 2.83Å; D90-L117 CarbonylContact O-C 3.57Å; D90-L117 WeakPolarHBondContact O-CA 3.38Å; D90-Q118 PolarHBondContact O-N 3.43Å
91	S	92.2	Very high	90.6	Very high	48 Å²	48	38.8 Å²	38.8	34%	0.336	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.6	-179.1	54.9	0	0	0	0	112.9	P93 Q118	S91-P93 WeakPolarHBondContact O-CD 3.31Å; S91-Q118 CarbonylContact C-O 3.53Å; S91-Q118 WeakPolarHBondContact CA-O 3.1Å
92	V	94.2	Very high	90.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	96	169	-176.7	0	0	0	0	108	F69 Y89 L97 L109 L117 Q118 F119 D120 A123	F69-V92 HydrophobicContact CD2-CB 4.48Å; F69-V92 HydrophobicContact CD2-CG1 4.39Å; F69-V92 HydrophobicContact CD2-CG2 4.2Å; F69-V92 HydrophobicContact CE2-CB 4.25Å; F69-V92 HydrophobicContact CE2-CG1 3.78Å; F69-V92 HydrophobicContact CE2-CG2 3.94Å; F69-V92 HydrophobicContact CZ-CG1 3.89Å; Y89-V92 HydrophobicContact CE2-CG2 4.44Å; V92-L97 HydrophobicContact CG1-CD1 4.31Å; V92-L109 HydrophobicContact CG2-CD1 4.06Å; V92-L117 HydrophobicContact CG2-CD1 4.29Å; V92-Q118 PolarHBondContact N-O 2.87Å; V92-F119 HydrophobicContact CB-CD1 3.63Å; V92-F119 HydrophobicContact CB-CE1 3.77Å; V92-F119 HydrophobicContact CB-CG 4.25Å; V92-F119 HydrophobicContact CB-CZ 4.49Å; V92-F119 HydrophobicContact CG1-CD1 4.02Å; V92-F119 HydrophobicContact CG1-CE1 4.06Å; V92-F119 HydrophobicContact CG2-CD1 3.85Å; V92-F119 HydrophobicContact CG2-CE1 3.47Å; V92-F119 VanDerWaalsContact CG2-CE1 3.47Å; V92-F119 HydrophobicContact CG2-CE2 4.41Å; V92-F119 HydrophobicContact CG2-CG 4.46Å; V92-F119 HydrophobicContact CG2-CZ 3.79Å; V92-D120 WeakPolarHBondContact O-CB 3.35Å; V92-D120 PolarHBondContact O-N 2.97Å; V92-A123 HydrophobicContact CG1-CB 4.01Å
93	P	93.7	Very high	90	Very high	44 Å²	44	41.8 Å²	41.8	29%	0.286	21%	0.213	S	C	.	.			trans	-81.7	152.7	-174.3	32.5	-35.6	0	0	0	112.7	F69 S91 R95 G96	F69-P93 HydrophobicContact CB-CG 4.15Å; F69-P93 HydrophobicContact CD1-CG 4.17Å; F69-P93 HydrophobicContact CG-CG 4.3Å; S91-P93 WeakPolarHBondContact O-CD 3.31Å; P93-R95 VanDerWaalsContact C-N 3.31Å; P93-R95 PolarHBondContact O-N 3.29Å; P93-G96 PolarHBondContact O-N 3.24Å
94	S	89.7	Confident	89.9	Confident	29 Å²	29	41.8 Å²	41.8	20%	0.203	21%	0.213	C	C	.	.	H	α-helix	trans	-56.3	-39.8	171.2	48	0	0	0	0	113.6	G96 A98 D120	S94-G96 PolarHBondContact O-N 2.67Å; S94-G96 VanDerWaalsContact O-N 3.08Å; S94-A98 WeakPolarHBondContact O-CB 3.49Å; S94-A98 PolarHBondContact O-N 3.48Å; S94-D120 WeakPolarHBondContact CB-OD2 3.29Å; S94-D120 PolarHBondContact N-OD2 3.35Å; S94-D120 PolarHBondContact OG-OD2 3.5Å
95	R	84.9	Confident	89.8	Confident	219 Å²	219	42.2 Å²	42.2	83%	0.826	21%	0.214	S	C	*	.	H	α-helix	trans	-64.3	-13.5	-179.6	-65.3	-175.6	-178.4	-173.8	0.7	114.7	P93	P93-R95 VanDerWaalsContact C-N 3.31Å; P93-R95 PolarHBondContact O-N 3.29Å
96	G	83.9	Confident	89.9	Confident	2 Å²	2	44.9 Å²	44.9	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-81.2	-89.5	173.4	0	0	0	0	0	110.8	P93 S94 A99	P93-G96 PolarHBondContact O-N 3.24Å; S94-G96 PolarHBondContact O-N 2.67Å; S94-G96 VanDerWaalsContact O-N 3.08Å; G96-A99 PolarHBondContact O-N 3.31Å
97	L	88	Confident	90	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-73.8	-29.7	-169.8	-65.2	171.7	0	0	0	114.2	F69 F72 L83 I85 V92 A99 F100 L107 F124 I128	F69-L97 HydrophobicContact CE1-CD1 4.37Å; F69-L97 HydrophobicContact CE1-CD2 4.41Å; F69-L97 HydrophobicContact CE1-CG 3.85Å; F69-L97 HydrophobicContact CZ-CD1 3.75Å; F69-L97 HydrophobicContact CZ-CD2 4.29Å; F69-L97 HydrophobicContact CZ-CG 3.72Å; F72-L97 HydrophobicContact CD2-CD2 4.43Å; F72-L97 HydrophobicContact CE2-CD2 3.89Å; L83-L97 HydrophobicContact CD2-CD2 3.79Å; I85-L97 HydrophobicContact CD1-CD2 4.19Å; V92-L97 HydrophobicContact CG1-CD1 4.31Å; L97-A99 VanDerWaalsContact C-N 3.26Å; L97-A99 PolarHBondContact O-N 2.89Å; L97-F100 VanDerWaalsContact O-CB 3.3Å; L97-F100 WeakPolarHBondContact O-CB 3.33Å; L97-F100 PolarHBondContact O-N 2.93Å; L97-F100 VanDerWaalsContact O-N 3.1Å; L97-L107 HydrophobicContact CD1-CD2 3.64Å; L97-F124 HydrophobicContact CD1-CD1 3.93Å; L97-F124 HydrophobicContact CD1-CE1 3.53Å; L97-I128 HydrophobicContact CB-CD1 4.07Å; L97-I128 HydrophobicContact CB-CG2 4.31Å; L97-I128 HydrophobicContact CD1-CD1 4.03Å; L97-I128 HydrophobicContact CD2-CD1 3.91Å; L97-I128 HydrophobicContact CG-CD1 4.22Å
98	A	84	Confident	90.2	Very high	28 Å²	28	45.6 Å²	45.6	23%	0.231	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.6	179.8	0	0	0	0	0	112.9	S94 F100 A123 Q125	S94-A98 WeakPolarHBondContact O-CB 3.49Å; S94-A98 PolarHBondContact O-N 3.48Å; A98-F100 VanDerWaalsContact C-N 3.28Å; A98-A123 PolarHBondContact N-O 3.36Å; A98-Q125 VanDerWaalsContact CA-O 3.31Å; A98-Q125 WeakPolarHBondContact CA-O 3.5Å; A98-Q125 HydrophobicContact CB-CB 4.11Å
99	A	80.4	Confident	90.5	Very high	42 Å²	42	40.6 Å²	40.6	35%	0.347	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-14	171.7	0	0	0	0	0	112.7	G96 L97 T101	G96-A99 PolarHBondContact O-N 3.31Å; L97-A99 VanDerWaalsContact C-N 3.26Å; L97-A99 PolarHBondContact O-N 2.89Å; A99-T101 PolarHBondContact O-N 3.27Å
100	F	84.1	Confident	90.7	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.213	C	C	.	.			trans	-76.3	109.9	-178.1	-161.4	-158.4	0	0	0	110	F44 F72 V80 L83 L97 A98 D102 V104 S127	F44-F100 AromaticContact CD2-CE2 3.92Å; F44-F100 HydrophobicContact CD2-CE2 3.92Å; F44-F100 HydrophobicContact CD2-CZ 4.03Å; F44-F100 HydrophobicContact CE2-CE2 4.24Å; F44-F100 AromaticContact CE2-CZ 3.88Å; F44-F100 HydrophobicContact CE2-CZ 3.88Å; F44-F100 HydrophobicContact CG-CE2 4.15Å; F44-F100 HydrophobicContact CZ-CZ 4.31Å; F72-F100 HydrophobicContact CB-CB 4.27Å; F72-F100 HydrophobicContact CB-CD2 3.95Å; F72-F100 HydrophobicContact CB-CG 4.17Å; F72-F100 HydrophobicContact CD1-CD2 4.43Å; F72-F100 HydrophobicContact CD1-CE1 4.47Å; F72-F100 HydrophobicContact CD1-CE2 4.33Å; F72-F100 HydrophobicContact CD1-CZ 4.35Å; F72-F100 HydrophobicContact CG-CD2 4.3Å; F72-F100 HydrophobicContact CG-CG 4.23Å; V80-F100 HydrophobicContact CG2-CE1 4.2Å; V80-F100 HydrophobicContact CG2-CZ 3.9Å; L83-F100 HydrophobicContact CD2-CD1 4.41Å; L83-F100 HydrophobicContact CD2-CE1 4.15Å; L97-F100 VanDerWaalsContact O-CB 3.3Å; L97-F100 WeakPolarHBondContact O-CB 3.33Å; L97-F100 PolarHBondContact O-N 2.93Å; L97-F100 VanDerWaalsContact O-N 3.1Å; A98-F100 VanDerWaalsContact C-N 3.28Å; F100-D102 HydrophobicContact CD2-CB 4.02Å; F100-D102 HydrophobicContact CE1-CB 4.34Å; F100-D102 HydrophobicContact CE2-CB 3.57Å; F100-D102 WeakPolarHBondContact CE2-OD2 3.43Å; F100-D102 HydrophobicContact CZ-CB 3.75Å; F100-V104 HydrophobicContact CD1-CG2 3.58Å; F100-V104 HydrophobicContact CE1-CG2 3.44Å; F100-V104 VanDerWaalsContact CE1-CG2 3.44Å; F100-S127 WeakPolarHBondContact O-CB 3.43Å
101	T	85	Confident	90.9	Very high	66 Å²	66	38 Å²	38	41%	0.405	19%	0.194	S	C	.	.			trans	-83.4	-16.7	-176.5	54.5	0	0	0	0	113.5	A74 N75 A99 S127	A74-T101 HydrophobicContact CB-CG2 4.07Å; N75-T101 PolarHBondContact N-OG1 2.97Å; A99-T101 PolarHBondContact O-N 3.27Å; T101-S127 WeakPolarHBondContact O-CB 3.39Å; T101-S127 PolarHBondContact O-OG 3.44Å
102	D	87.9	Confident	90.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.011	19%	0.187	C	C	.	.	S	Bend	trans	-68.4	158.5	-180	-71.5	-15	0	0	0	111.1	S76 N77 C78 V80 F100 V104 S127	S76-D102 PolarHBondContact OG-OD1 3.2Å; S76-D102 PolarHBondContact OG-OD2 3.11Å; N77-D102 WeakPolarHBondContact CA-OD1 3.31Å; N77-D102 PolarHBondContact N-OD1 3.35Å; C78-D102 WeakPolarHBondContact CB-OD2 3.21Å; C78-D102 VanDerWaalsContact N-CG 3.35Å; C78-D102 PolarHBondContact N-OD1 3.36Å; C78-D102 VanDerWaalsContact O-CB 3.22Å; C78-D102 WeakPolarHBondContact O-CB 3.29Å; V80-D102 HydrophobicContact CG2-CB 4.37Å; F100-D102 HydrophobicContact CD2-CB 4.02Å; F100-D102 HydrophobicContact CE1-CB 4.34Å; F100-D102 HydrophobicContact CE2-CB 3.57Å; F100-D102 WeakPolarHBondContact CE2-OD2 3.43Å; F100-D102 HydrophobicContact CZ-CB 3.75Å; D102-V104 PolarHBondContact O-N 2.81Å; D102-S127 WeakPolarHBondContact O-CB 3.44Å; D102-S127 PolarHBondContact O-OG 3.2Å
103	R	91	Very high	89.8	Confident	125 Å²	125	41.5 Å²	41.5	47%	0.472	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	116.9	178.4	-63.7	-178.1	-176.9	168	1.6	108.4	C78 V80 F131	C78-R103 PolarHBondContact O-N 2.74Å; V80-R103 WeakPolarHBondContact CA-O 3.25Å; V80-R103 PolarHBondContact N-O 3.07Å; R103-F131 HydrophobicContact CB-CB 4.46Å; R103-F131 HydrophobicContact CB-CD2 4.34Å; R103-F131 HydrophobicContact CB-CG 4.26Å; R103-F131 HydrophobicContact CG-CD1 4.28Å; R103-F131 HydrophobicContact CG-CD2 3.85Å; R103-F131 HydrophobicContact CG-CE1 4.34Å; R103-F131 HydrophobicContact CG-CE2 3.94Å; R103-F131 HydrophobicContact CG-CG 4.05Å; R103-F131 HydrophobicContact CG-CZ 4.19Å
104	V	93.8	Very high	89	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.2	176.5	-174.3	0	0	0	0	108.6	V80 L83 F100 D102 N106 I128 F131 L132	V80-V104 HydrophobicContact CB-CG2 4.09Å; V80-V104 HydrophobicContact CG1-CG1 4.28Å; V80-V104 HydrophobicContact CG1-CG2 4.39Å; V80-V104 WeakPolarHBondContact O-CA 3.47Å; L83-V104 HydrophobicContact CB-CG1 3.94Å; F100-V104 HydrophobicContact CD1-CG2 3.58Å; F100-V104 HydrophobicContact CE1-CG2 3.44Å; F100-V104 VanDerWaalsContact CE1-CG2 3.44Å; D102-V104 PolarHBondContact O-N 2.81Å; V104-N106 WeakPolarHBondContact CG1-O 3.28Å; V104-I128 HydrophobicContact CB-CD1 4.42Å; V104-I128 HydrophobicContact CB-CG1 4.28Å; V104-F131 CarbonylContact O-C 3.49Å; V104-L132 HydrophobicContact CB-CD1 4.41Å; V104-L132 HydrophobicContact CG1-CD1 3.96Å; V104-L132 WeakPolarHBondContact O-CA 3.49Å; V104-L132 PolarHBondContact O-N 2.86Å
105	F	96	Very high	88.6	Confident	39 Å²	39	45.8 Å²	45.8	17%	0.171	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-39.8	179.5	-63.7	-76.8	0	0	0	113.2	E79 V80 E133 R134	E79-F105 HydrophobicContact CG-CD2 4.33Å; E79-F105 HydrophobicContact CG-CE2 3.46Å; E79-F105 VanDerWaalsContact CG-CE2 3.46Å; E79-F105 HydrophobicContact CG-CZ 4.29Å; E79-F105 WeakPolarHBondContact OE1-CE2 3.25Å; V80-F105 PolarHBondContact O-N 2.88Å; F105-E133 HydrophobicContact CD1-CG 4.27Å; F105-E133 PolarHBondContact O-N 2.84Å; F105-R134 PolarHBondContact O-N 2.56Å
106	N	98.2	Very high	88.9	Confident	55 Å²	55	39.9 Å²	39.9	29%	0.294	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.3	178	-55.6	-86.5	0	0	0	110.2	A81 S82 L83 V104 R134	A81-N106 WeakPolarHBondContact O-CB 3.41Å; A81-N106 PolarHBondContact O-N 2.91Å; A81-N106 PolarHBondContact O-ND2 3.49Å; S82-N106 WeakPolarHBondContact CA-O 3.28Å; L83-N106 PolarHBondContact N-O 2.81Å; V104-N106 WeakPolarHBondContact CG1-O 3.28Å; N106-R134 WeakPolarHBondContact CA-O 3.39Å; N106-R134 HydrophobicContact CB-CB 4.42Å; N106-R134 WeakPolarHBondContact OD1-CB 3.22Å
107	L	97.7	Very high	89.3	Confident	4 Å²	4	40 Å²	40	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123	174.5	173.3	61.8	0	0	0	108.9	L83 I85 L97 L109 F124 I128 L132 R134 F135 E136	L83-L107 HydrophobicContact CB-CD1 4.12Å; L83-L107 HydrophobicContact CD2-CD1 3.95Å; L83-L107 HydrophobicContact CG-CD1 3.84Å; L83-L107 WeakPolarHBondContact O-CA 3.34Å; L83-L107 WeakPolarHBondContact O-CD1 3.33Å; I85-L107 HydrophobicContact CD1-CD1 4.43Å; L97-L107 HydrophobicContact CD1-CD2 3.64Å; L107-L109 HydrophobicContact CD1-CD2 3.71Å; L107-L109 HydrophobicContact CD1-CG 4.31Å; L107-L109 HydrophobicContact CD2-CD2 4.35Å; L107-L109 HydrophobicContact CD2-CG 4.38Å; L107-L109 HydrophobicContact CG-CD2 4.15Å; L107-L109 HydrophobicContact CG-CG 4.22Å; L107-F124 HydrophobicContact CD2-CE1 3.81Å; L107-I128 HydrophobicContact CD2-CD1 3.84Å; L107-L132 HydrophobicContact CB-CD1 3.62Å; L107-L132 HydrophobicContact CB-CD2 4.09Å; L107-L132 HydrophobicContact CB-CG 4.5Å; L107-R134 PolarHBondContact N-O 3.1Å; L107-F135 HydrophobicContact CB-CD2 4.13Å; L107-F135 HydrophobicContact CD2-CD2 3.78Å; L107-F135 HydrophobicContact CD2-CE2 3.69Å; L107-F135 HydrophobicContact CG-CD2 3.93Å; L107-F135 HydrophobicContact CG-CE2 4.03Å; L107-F135 WeakPolarHBondContact O-CA 3.26Å; L107-E136 PolarHBondContact O-N 3.35Å
108	K	98.1	Very high	89.6	Confident	57 Å²	57	46.1 Å²	46.1	25%	0.248	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.2	168.8	-177.1	166.2	-179.7	162.7	0	110	L83 L84 I85 I110 E136	L83-K108 PolarHBondContact O-N 2.95Å; L84-K108 WeakPolarHBondContact CA-O 3.4Å; L84-K108 HydrophobicContact CD1-CB 3.88Å; L84-K108 HydrophobicContact CD1-CD 4.07Å; L84-K108 HydrophobicContact CD1-CG 3.76Å; I85-K108 PolarHBondContact N-O 3.45Å; K108-I110 HydrophobicContact CD-CD1 4.48Å; K108-I110 HydrophobicContact CD-CG1 4.44Å; K108-I110 HydrophobicContact CG-CG1 4.2Å; K108-E136 CarbonylContact C-O 3.52Å; K108-E136 VanDerWaalsContact CA-O 3.31Å; K108-E136 WeakPolarHBondContact CA-O 3.3Å; K108-E136 HydrophobicContact CB-CB 4.3Å; K108-E136 HydrophobicContact CD-CG 4.19Å; K108-E136 WeakPolarHBondContact CE-OE1 3.49Å; K108-E136 HydrophobicContact CG-CB 4.13Å; K108-E136 HydrophobicContact CG-CG 4.16Å; K108-E136 IonicContact NZ-OE1 3.27Å; K108-E136 PolarHBondContact NZ-OE1 3.07Å
109	L	96.9	Very high	90.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.5	172.4	-60.2	-174.5	0	0	0	108.7	F69 I85 V92 L107 F119 F135 E136 L137 E138	F69-L109 HydrophobicContact CE2-CD2 4.23Å; I85-L109 HydrophobicContact CB-CD2 3.73Å; I85-L109 HydrophobicContact CD1-CD2 3.91Å; I85-L109 HydrophobicContact CG1-CD2 4.09Å; V92-L109 HydrophobicContact CG2-CD1 4.06Å; L107-L109 HydrophobicContact CD1-CD2 3.71Å; L107-L109 HydrophobicContact CD1-CG 4.31Å; L107-L109 HydrophobicContact CD2-CD2 4.35Å; L107-L109 HydrophobicContact CD2-CG 4.38Å; L107-L109 HydrophobicContact CG-CD2 4.15Å; L107-L109 HydrophobicContact CG-CG 4.22Å; L109-F119 HydrophobicContact CD1-CE1 4.08Å; L109-F119 HydrophobicContact CD1-CZ 4.25Å; L109-F135 HydrophobicContact CD1-CE2 3.77Å; L109-F135 HydrophobicContact CD1-CZ 3.89Å; L109-F135 HydrophobicContact CG-CE2 3.96Å; L109-F135 HydrophobicContact CG-CZ 4.38Å; L109-E136 PolarHBondContact N-O 3.02Å; L109-L137 HydrophobicContact CB-CD1 3.64Å; L109-L137 HydrophobicContact CD1-CD1 4.47Å; L109-L137 WeakPolarHBondContact O-CA 3.22Å; L109-E138 PolarHBondContact O-N 3.26Å
110	I	96.1	Very high	90.8	Very high	33 Å²	33	46.4 Å²	46.4	17%	0.169	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.4	170.5	-54.7	177.8	0	0	0	107.6	L84 I85 E86 G87 Y89 K108 E138	L84-I110 HydrophobicContact CD1-CD1 3.91Å; L84-I110 HydrophobicContact CD1-CG1 4.08Å; I85-I110 PolarHBondContact O-N 3.2Å; E86-I110 WeakPolarHBondContact CA-O 3.31Å; E86-I110 HydrophobicContact CB-CB 4.11Å; E86-I110 HydrophobicContact CG-CB 3.97Å; E86-I110 HydrophobicContact CG-CG2 4.08Å; G87-I110 PolarHBondContact N-O 3.08Å; Y89-I110 PolarHBondContact OH-O 2.86Å; K108-I110 HydrophobicContact CD-CD1 4.48Å; K108-I110 HydrophobicContact CD-CG1 4.44Å; K108-I110 HydrophobicContact CG-CG1 4.2Å; I110-E138 CarbonylContact C-O 3.34Å; I110-E138 VanDerWaalsContact CA-O 3.28Å; I110-E138 WeakPolarHBondContact CA-O 3.44Å
111	S	93.2	Very high	91.3	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.1	174	-176.5	0	0	0	0	109.5	G87 Y89 E138 D139	G87-S111 WeakPolarHBondContact O-CA 3.49Å; Y89-S111 PolarHBondContact O-OG 3.36Å; Y89-S111 VanDerWaalsContact O-OG 3.08Å; S111-E138 PolarHBondContact N-O 3.38Å; S111-D139 CarbonylContact O-C 3.59Å; S111-D139 VanDerWaalsContact O-CA 3.31Å; S111-D139 WeakPolarHBondContact O-CA 3.22Å
112	K	87.4	Confident	91.7	Very high	47 Å²	47	52 Å²	52	20%	0.204	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-73.5	156.9	172.7	-75.4	179	-178.5	168.4	0	110.3	D65 E86 G87 H88	D65-K112 IonicContact OD1-NZ 2.65Å; E86-K112 WeakPolarHBondContact OE1-CE 3.4Å; E86-K112 IonicContact OE1-NZ 3.73Å; E86-K112 PolarHBondContact OE1-NZ 3.4Å; G87-K112 PolarHBondContact O-N 3.02Å; H88-K112 WeakPolarHBondContact CD2-CB 3.26Å; H88-K112 WeakPolarHBondContact CE1-CD 3.42Å; H88-K112 WeakPolarHBondContact NE2-CB 3.22Å
113	P	76.2	Confident	92	Very high	75 Å²	75	52 Å²	52	49%	0.487	28%	0.281	S	S	.	.	S	Bend	trans	-62	139.4	-167.4	21.9	-32	0	0	0	111.9	E140	P113-E140 HydrophobicContact CB-CB 4.37Å; P113-E140 VanDerWaalsContact CD-OE2 3.26Å; P113-E140 WeakPolarHBondContact CD-OE2 3.46Å; P113-E140 VanDerWaalsContact CG-OE2 3.25Å; P113-E140 WeakPolarHBondContact CG-OE2 3.32Å
114	G	76.5	Confident	92.2	Very high	71 Å²	71	46 Å²	46	73%	0.732	26%	0.259	S	S	*	.			trans	-172.1	-142.6	-174.4	0	0	0	0	0	112.5
115	T	81.8	Confident	92.1	Very high	92 Å²	92	50.4 Å²	50.4	56%	0.564	28%	0.279	S	S	*	.	S	Bend	trans	-75.2	-179.7	171.4	42.6	0	0	0	0	111.4	D90 L117	D90-T115 WeakPolarHBondContact CB-OG1 3.36Å; D90-T115 PolarHBondContact OD2-OG1 2.83Å; T115-L117 PolarHBondContact O-N 2.8Å
116	I	89.8	Confident	91.9	Very high	95 Å²	95	50.5 Å²	50.5	49%	0.487	29%	0.291	S	S	.	.			trans	-59.5	129.9	176.2	-62.9	171.8	0	0	0	109.7	Q118 A142	I116-Q118 HydrophobicContact CG2-CG 4.37Å; I116-Q118 PolarHBondContact O-N 2.9Å; I116-A142 WeakPolarHBondContact CA-O 3.17Å
117	L	93.4	Very high	91.6	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	28%	0.283	C	S	.	.			trans	-78.2	118.6	174.9	179.4	62.5	0	0	0	110.1	Y89 D90 V92 T115 F119 L137 D139 A142	Y89-L117 HydrophobicContact CD2-CD1 4.19Å; Y89-L117 HydrophobicContact CE2-CD1 4.38Å; D90-L117 CarbonylContact O-C 3.57Å; D90-L117 WeakPolarHBondContact O-CA 3.38Å; V92-L117 HydrophobicContact CG2-CD1 4.29Å; T115-L117 PolarHBondContact O-N 2.8Å; L117-F119 HydrophobicContact CD2-CE2 3.72Å; L117-F119 HydrophobicContact CD2-CZ 4.08Å; L117-F119 HydrophobicContact CG-CD2 4.44Å; L117-F119 HydrophobicContact CG-CE2 3.82Å; L117-F119 HydrophobicContact CG-CZ 4.48Å; L117-L137 HydrophobicContact CD2-CD1 3.92Å; L117-L137 HydrophobicContact CD2-CD2 4.24Å; L117-D139 HydrophobicContact CD2-CB 4.11Å; L117-A142 HydrophobicContact CB-CB 3.78Å; L117-A142 PolarHBondContact N-O 2.84Å; L117-A142 VanDerWaalsContact N-O 3.09Å
118	Q	93.5	Very high	91.4	Very high	130 Å²	130	48.5 Å²	48.5	61%	0.607	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.9	-179.6	-63.6	-174.4	-20.3	0	0	111.9	D90 S91 V92 I116	D90-Q118 PolarHBondContact O-N 3.43Å; S91-Q118 CarbonylContact C-O 3.53Å; S91-Q118 WeakPolarHBondContact CA-O 3.1Å; V92-Q118 PolarHBondContact N-O 2.87Å; I116-Q118 HydrophobicContact CG2-CG 4.37Å; I116-Q118 PolarHBondContact O-N 2.9Å
119	F	95	Very high	91.2	Very high	25 Å²	25	46 Å²	46	11%	0.11	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.9	172.3	-73.6	-102.3	0	0	0	109.2	V92 L109 L117 F124 F135 L137 L143 P147 A149	V92-F119 HydrophobicContact CB-CD1 3.63Å; V92-F119 HydrophobicContact CB-CE1 3.77Å; V92-F119 HydrophobicContact CB-CG 4.25Å; V92-F119 HydrophobicContact CB-CZ 4.49Å; V92-F119 HydrophobicContact CG1-CD1 4.02Å; V92-F119 HydrophobicContact CG1-CE1 4.06Å; V92-F119 HydrophobicContact CG2-CD1 3.85Å; V92-F119 HydrophobicContact CG2-CE1 3.47Å; V92-F119 VanDerWaalsContact CG2-CE1 3.47Å; V92-F119 HydrophobicContact CG2-CE2 4.41Å; V92-F119 HydrophobicContact CG2-CG 4.46Å; V92-F119 HydrophobicContact CG2-CZ 3.79Å; L109-F119 HydrophobicContact CD1-CE1 4.08Å; L109-F119 HydrophobicContact CD1-CZ 4.25Å; L117-F119 HydrophobicContact CD2-CE2 3.72Å; L117-F119 HydrophobicContact CD2-CZ 4.08Å; L117-F119 HydrophobicContact CG-CD2 4.44Å; L117-F119 HydrophobicContact CG-CE2 3.82Å; L117-F119 HydrophobicContact CG-CZ 4.48Å; F119-F124 AromaticContact CD1-CE2 3.84Å; F119-F124 HydrophobicContact CD1-CE2 3.84Å; F119-F124 AromaticContact CD1-CZ 3.93Å; F119-F124 HydrophobicContact CD1-CZ 3.93Å; F119-F124 AromaticContact CE1-CE2 3.95Å; F119-F124 HydrophobicContact CE1-CE2 3.95Å; F119-F124 AromaticContact CE1-CZ 3.67Å; F119-F124 HydrophobicContact CE1-CZ 3.67Å; F119-F135 HydrophobicContact CE1-CZ 4.35Å; F119-F135 HydrophobicContact CZ-CZ 4.5Å; F119-L137 HydrophobicContact CE2-CD2 4.25Å; F119-L137 HydrophobicContact CZ-CD1 4.49Å; F119-L137 HydrophobicContact CZ-CD2 4.09Å; F119-L143 HydrophobicContact CD2-CD1 3.99Å; F119-L143 HydrophobicContact CE2-CD1 3.89Å; F119-L143 HydrophobicContact CE2-CD2 4.42Å; F119-P147 HydrophobicContact CB-CB 3.63Å; F119-P147 HydrophobicContact CD1-CB 4.23Å; F119-P147 HydrophobicContact CD1-CG 4.48Å; F119-P147 HydrophobicContact CD2-CB 3.62Å; F119-P147 HydrophobicContact CD2-CG 3.88Å; F119-P147 HydrophobicContact CE2-CB 4.35Å; F119-P147 HydrophobicContact CE2-CG 4.12Å; F119-P147 HydrophobicContact CG-CB 3.55Å; F119-P147 HydrophobicContact CG-CG 4.09Å; F119-A149 HydrophobicContact CB-CB 4.42Å
120	D	95.2	Very high	91	Very high	51 Å²	51	50.4 Å²	50.4	27%	0.273	30%	0.295	S	S	.	.			trans	-57.8	130.7	164.3	-176.3	-36.9	0	0	0	108.2	V92 S94 Q122 A123 A149	V92-D120 WeakPolarHBondContact O-CB 3.35Å; V92-D120 PolarHBondContact O-N 2.97Å; S94-D120 WeakPolarHBondContact CB-OD2 3.29Å; S94-D120 PolarHBondContact N-OD2 3.35Å; S94-D120 PolarHBondContact OG-OD2 3.5Å; D120-Q122 PolarHBondContact O-N 3.32Å; D120-Q122 PolarHBondContact OD1-N 2.93Å; D120-A123 HydrophobicContact CB-CB 4.26Å; D120-A123 WeakPolarHBondContact O-CB 3.48Å; D120-A123 PolarHBondContact O-N 2.86Å; D120-A149 WeakPolarHBondContact O-CB 3.42Å
121	P	94.3	Very high	90.9	Very high	85 Å²	85	51.3 Å²	51.3	55%	0.552	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-21.6	177.5	-27.6	35.6	0	0	0	114.3
122	Q	94.3	Very high	91	Very high	100 Å²	100	51.1 Å²	51.1	47%	0.467	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	5.7	177.9	-52.2	-166	-24.4	0	0	113.8	D120 F124 Q125	D120-Q122 PolarHBondContact O-N 3.32Å; D120-Q122 PolarHBondContact OD1-N 2.93Å; Q122-F124 PolarHBondContact O-N 3.25Å; Q122-Q125 HydrophobicContact CB-CG 4.06Å; Q122-Q125 VanDerWaalsContact CG-NE2 3.33Å; Q122-Q125 PolarHBondContact O-N 2.96Å; Q122-Q125 VanDerWaalsContact O-N 3.09Å
123	A	94.5	Very high	91.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-37.1	-176.9	0	0	0	0	0	114.5	V92 A98 D120 A149	V92-A123 HydrophobicContact CG1-CB 4.01Å; A98-A123 PolarHBondContact N-O 3.36Å; D120-A123 HydrophobicContact CB-CB 4.26Å; D120-A123 WeakPolarHBondContact O-CB 3.48Å; D120-A123 PolarHBondContact O-N 2.86Å; A123-A149 HydrophobicContact CB-CB 4.21Å
124	F	94.5	Very high	92.5	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	22.7	-175.4	-56.7	-55.6	0	0	0	113.8	L97 L107 F119 Q122 I128 G129 F135 A149 L150 A152 F153	L97-F124 HydrophobicContact CD1-CD1 3.93Å; L97-F124 HydrophobicContact CD1-CE1 3.53Å; L107-F124 HydrophobicContact CD2-CE1 3.81Å; F119-F124 AromaticContact CD1-CE2 3.84Å; F119-F124 HydrophobicContact CD1-CE2 3.84Å; F119-F124 AromaticContact CD1-CZ 3.93Å; F119-F124 HydrophobicContact CD1-CZ 3.93Å; F119-F124 AromaticContact CE1-CE2 3.95Å; F119-F124 HydrophobicContact CE1-CE2 3.95Å; F119-F124 AromaticContact CE1-CZ 3.67Å; F119-F124 HydrophobicContact CE1-CZ 3.67Å; Q122-F124 PolarHBondContact O-N 3.25Å; F124-I128 HydrophobicContact CB-CG2 4.34Å; F124-I128 HydrophobicContact CD1-CG2 4.48Å; F124-G129 WeakPolarHBondContact O-CA 3.32Å; F124-G129 PolarHBondContact O-N 3.29Å; F124-F135 HydrophobicContact CE1-CE2 4.23Å; F124-F135 HydrophobicContact CE2-CZ 4.44Å; F124-F135 HydrophobicContact CZ-CD2 4.49Å; F124-F135 AromaticContact CZ-CE2 3.74Å; F124-F135 HydrophobicContact CZ-CE2 3.74Å; F124-F135 AromaticContact CZ-CZ 3.83Å; F124-F135 HydrophobicContact CZ-CZ 3.83Å; F124-A149 HydrophobicContact CD2-CB 3.61Å; F124-A149 HydrophobicContact CE2-CB 4.08Å; F124-L150 HydrophobicContact CE2-CD2 4.06Å; F124-A152 HydrophobicContact CB-CB 4.12Å; F124-A152 WeakPolarHBondContact O-CB 3.46Å; F124-F153 HydrophobicContact CB-CD1 4.35Å; F124-F153 HydrophobicContact CB-CE1 3.6Å; F124-F153 HydrophobicContact CB-CZ 3.79Å; F124-F153 AromaticContact CD1-CE1 3.96Å; F124-F153 HydrophobicContact CD1-CE1 3.96Å; F124-F153 AromaticContact CD1-CZ 3.64Å; F124-F153 HydrophobicContact CD1-CZ 3.64Å; F124-F153 HydrophobicContact CD2-CE1 4.15Å; F124-F153 AromaticContact CD2-CE2 3.84Å; F124-F153 HydrophobicContact CD2-CE2 3.84Å; F124-F153 AromaticContact CD2-CZ 3.41Å; F124-F153 HydrophobicContact CD2-CZ 3.41Å; F124-F153 VanDerWaalsContact CD2-CZ 3.41Å; F124-F153 AromaticContact CE1-CZ 3.96Å; F124-F153 HydrophobicContact CE1-CZ 3.96Å; F124-F153 HydrophobicContact CE2-CE2 4.08Å; F124-F153 AromaticContact CE2-CZ 3.78Å; F124-F153 HydrophobicContact CE2-CZ 3.78Å; F124-F153 AromaticContact CG-CE1 3.66Å; F124-F153 HydrophobicContact CG-CE1 3.66Å; F124-F153 HydrophobicContact CG-CE2 4.2Å; F124-F153 AromaticContact CG-CZ 3.33Å; F124-F153 HydrophobicContact CG-CZ 3.33Å; F124-F153 HydrophobicContact CZ-CZ 4.02Å
125	Q	92.1	Very high	93.5	Very high	92 Å²	92	49.6 Å²	49.6	43%	0.43	26%	0.261	S	S	.	.			trans	-69.6	168.7	170.7	-70.6	-172	1.9	0	0	111.6	A98 Q122	A98-Q125 VanDerWaalsContact CA-O 3.31Å; A98-Q125 WeakPolarHBondContact CA-O 3.5Å; A98-Q125 HydrophobicContact CB-CB 4.11Å; Q122-Q125 HydrophobicContact CB-CG 4.06Å; Q122-Q125 VanDerWaalsContact CG-NE2 3.33Å; Q122-Q125 PolarHBondContact O-N 2.96Å; Q122-Q125 VanDerWaalsContact O-N 3.09Å
126	G	91.4	Very high	94.3	Very high	42 Å²	42	46.5 Å²	46.5	43%	0.433	24%	0.24	S	C	.	.	S	Bend	trans	77.5	-149.2	176.8	0	0	0	0	0	113.6	I128 G129 L130	G126-I128 PolarHBondContact O-N 3.12Å; G126-G129 PolarHBondContact O-N 3.32Å; G126-L130 PolarHBondContact O-N 3.13Å
127	S	91.8	Very high	94.7	Very high	17 Å²	17	42 Å²	42	12%	0.119	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-47.2	-171.7	-174.2	0	0	0	0	112	F100 T101 D102 G129 L130 F131	F100-S127 WeakPolarHBondContact O-CB 3.43Å; T101-S127 WeakPolarHBondContact O-CB 3.39Å; T101-S127 PolarHBondContact O-OG 3.44Å; D102-S127 WeakPolarHBondContact O-CB 3.44Å; D102-S127 PolarHBondContact O-OG 3.2Å; S127-G129 VanDerWaalsContact C-N 3.29Å; S127-G129 PolarHBondContact O-N 2.68Å; S127-L130 WeakPolarHBondContact O-CB 3.43Å; S127-L130 PolarHBondContact O-N 3.29Å; S127-F131 VanDerWaalsContact O-CD2 3.24Å; S127-F131 WeakPolarHBondContact O-CD2 3.5Å; S127-F131 PolarHBondContact O-N 2.78Å; S127-F131 VanDerWaalsContact O-N 3.11Å; S127-F131 WeakPolarHBondContact OG-CD2 3.43Å
128	I	92.8	Very high	94.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58	-40.7	-178.6	-163.9	163.5	0	0	0	112.4	L97 V104 L107 F124 G126 L130 F131 L132	L97-I128 HydrophobicContact CB-CD1 4.07Å; L97-I128 HydrophobicContact CB-CG2 4.31Å; L97-I128 HydrophobicContact CD1-CD1 4.03Å; L97-I128 HydrophobicContact CD2-CD1 3.91Å; L97-I128 HydrophobicContact CG-CD1 4.22Å; V104-I128 HydrophobicContact CB-CD1 4.42Å; V104-I128 HydrophobicContact CB-CG1 4.28Å; L107-I128 HydrophobicContact CD2-CD1 3.84Å; F124-I128 HydrophobicContact CB-CG2 4.34Å; F124-I128 HydrophobicContact CD1-CG2 4.48Å; G126-I128 PolarHBondContact O-N 3.12Å; I128-L130 PolarHBondContact O-N 3.07Å; I128-F131 PolarHBondContact O-N 3.04Å; I128-L132 HydrophobicContact CG1-CB 4.31Å; I128-L132 HydrophobicContact CG1-CD1 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.38Å; I128-L132 PolarHBondContact O-N 3.45Å
129	G	93.6	Very high	94.7	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-30.1	176	0	0	0	0	0	114	F124 G126 S127 F153 K154	F124-G129 WeakPolarHBondContact O-CA 3.32Å; F124-G129 PolarHBondContact O-N 3.29Å; G126-G129 PolarHBondContact O-N 3.32Å; S127-G129 VanDerWaalsContact C-N 3.29Å; S127-G129 PolarHBondContact O-N 2.68Å; G129-F153 CarbonylContact O-C 3.47Å; G129-F153 WeakPolarHBondContact O-CA 3.03Å; G129-K154 PolarHBondContact O-N 3.16Å
130	L	93.4	Very high	94.6	Very high	94 Å²	94	42.1 Å²	42.1	49%	0.492	22%	0.218	S	C	.	.	H	α-helix	trans	-87.2	-29.8	-175.5	-64.7	174.3	0	0	0	113.6	G126 S127 I128 K154 K155	G126-L130 PolarHBondContact O-N 3.13Å; S127-L130 WeakPolarHBondContact O-CB 3.43Å; S127-L130 PolarHBondContact O-N 3.29Å; I128-L130 PolarHBondContact O-N 3.07Å; L130-K154 HydrophobicContact CD2-CG 4.27Å; L130-K155 WeakPolarHBondContact O-CD 3.43Å
131	F	93.9	Very high	94.5	Very high	51 Å²	51	47.3 Å²	47.3	22%	0.224	23%	0.234	C	C	.	.	H	α-helix	trans	-113.3	-17.9	-171.1	-64.7	-74.4	0	0	0	114.7	R103 V104 S127 I128 E133	R103-F131 HydrophobicContact CB-CB 4.46Å; R103-F131 HydrophobicContact CB-CD2 4.34Å; R103-F131 HydrophobicContact CB-CG 4.26Å; R103-F131 HydrophobicContact CG-CD1 4.28Å; R103-F131 HydrophobicContact CG-CD2 3.85Å; R103-F131 HydrophobicContact CG-CE1 4.34Å; R103-F131 HydrophobicContact CG-CE2 3.94Å; R103-F131 HydrophobicContact CG-CG 4.05Å; R103-F131 HydrophobicContact CG-CZ 4.19Å; V104-F131 CarbonylContact O-C 3.49Å; S127-F131 VanDerWaalsContact O-CD2 3.24Å; S127-F131 WeakPolarHBondContact O-CD2 3.5Å; S127-F131 PolarHBondContact O-N 2.78Å; S127-F131 VanDerWaalsContact O-N 3.11Å; S127-F131 WeakPolarHBondContact OG-CD2 3.43Å; I128-F131 PolarHBondContact O-N 3.04Å; F131-E133 PolarHBondContact O-N 3.17Å
132	L	95.7	Very high	94.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.211	C	C	.	.			trans	-65.3	123.5	-175.9	-162.3	77.5	0	0	0	111.8	V104 L107 I128 F135 F153 K155 L156	V104-L132 HydrophobicContact CB-CD1 4.41Å; V104-L132 HydrophobicContact CG1-CD1 3.96Å; V104-L132 WeakPolarHBondContact O-CA 3.49Å; V104-L132 PolarHBondContact O-N 2.86Å; L107-L132 HydrophobicContact CB-CD1 3.62Å; L107-L132 HydrophobicContact CB-CD2 4.09Å; L107-L132 HydrophobicContact CB-CG 4.5Å; I128-L132 HydrophobicContact CG1-CB 4.31Å; I128-L132 HydrophobicContact CG1-CD1 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.38Å; I128-L132 PolarHBondContact O-N 3.45Å; L132-F135 HydrophobicContact CD2-CB 3.86Å; L132-F135 HydrophobicContact CD2-CD2 4.19Å; L132-F135 HydrophobicContact CD2-CG 4.41Å; L132-F153 HydrophobicContact CB-CD1 4.02Å; L132-F153 HydrophobicContact CB-CE1 4.06Å; L132-F153 HydrophobicContact CD2-CD1 3.93Å; L132-F153 HydrophobicContact CD2-CE1 3.32Å; L132-F153 HydrophobicContact CD2-CE2 4.2Å; L132-F153 HydrophobicContact CD2-CZ 3.48Å; L132-F153 VanDerWaalsContact CD2-CZ 3.48Å; L132-F153 HydrophobicContact CG-CE1 4.32Å; L132-K155 CarbonylContact O-C 3.47Å; L132-K155 VanDerWaalsContact O-C 3.26Å; L132-L156 HydrophobicContact CD2-CD1 4.42Å; L132-L156 PolarHBondContact O-N 3.16Å
133	E	96.8	Very high	94.5	Very high	73 Å²	73	39.1 Å²	39.1	34%	0.341	19%	0.19	S	C	.	.			trans	-102.7	-30.2	-179.6	-65.1	-179.4	-177.6	0	0	111.8	F105 F131 K155 H157 T158	F105-E133 HydrophobicContact CD1-CG 4.27Å; F105-E133 PolarHBondContact O-N 2.84Å; F131-E133 PolarHBondContact O-N 3.17Å; E133-K155 WeakPolarHBondContact CA-O 3.11Å; E133-H157 PolarHBondContact O-N 3.17Å; E133-T158 PolarHBondContact O-N 2.87Å
134	R	98.3	Very high	94.5	Very high	87 Å²	87	42.5 Å²	42.5	33%	0.328	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.6	177.6	-179.2	173.3	178.3	113.7	-3.1	111.8	F105 N106 L107 E136 T158	F105-R134 PolarHBondContact O-N 2.56Å; N106-R134 WeakPolarHBondContact CA-O 3.39Å; N106-R134 HydrophobicContact CB-CB 4.42Å; N106-R134 WeakPolarHBondContact OD1-CB 3.22Å; L107-R134 PolarHBondContact N-O 3.1Å; R134-E136 IonicContact CZ-OE2 3.22Å; R134-E136 IonicContact NE-OE2 3.65Å; R134-E136 IonicContact NH2-OE2 2.71Å; R134-E136 PolarHBondContact NH2-OE2 3.13Å; R134-T158 WeakPolarHBondContact CA-O 3.28Å; R134-T158 HydrophobicContact CG-CG2 4.18Å
135	F	97.7	Very high	94.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127	171.2	-177.6	-113.5	0	0	0	110	L107 L109 F119 F124 L132 L137 L150 F153 L156 T158 L159 I160 L161	L107-F135 HydrophobicContact CB-CD2 4.13Å; L107-F135 HydrophobicContact CD2-CD2 3.78Å; L107-F135 HydrophobicContact CD2-CE2 3.69Å; L107-F135 HydrophobicContact CG-CD2 3.93Å; L107-F135 HydrophobicContact CG-CE2 4.03Å; L107-F135 WeakPolarHBondContact O-CA 3.26Å; L109-F135 HydrophobicContact CD1-CE2 3.77Å; L109-F135 HydrophobicContact CD1-CZ 3.89Å; L109-F135 HydrophobicContact CG-CE2 3.96Å; L109-F135 HydrophobicContact CG-CZ 4.38Å; F119-F135 HydrophobicContact CE1-CZ 4.35Å; F119-F135 HydrophobicContact CZ-CZ 4.5Å; F124-F135 HydrophobicContact CE1-CE2 4.23Å; F124-F135 HydrophobicContact CE2-CZ 4.44Å; F124-F135 HydrophobicContact CZ-CD2 4.49Å; F124-F135 AromaticContact CZ-CE2 3.74Å; F124-F135 HydrophobicContact CZ-CE2 3.74Å; F124-F135 AromaticContact CZ-CZ 3.83Å; F124-F135 HydrophobicContact CZ-CZ 3.83Å; L132-F135 HydrophobicContact CD2-CB 3.86Å; L132-F135 HydrophobicContact CD2-CD2 4.19Å; L132-F135 HydrophobicContact CD2-CG 4.41Å; F135-L137 HydrophobicContact CE1-CB 4.08Å; F135-L137 HydrophobicContact CZ-CB 4.17Å; F135-L150 HydrophobicContact CD1-CD2 3.92Å; F135-L150 HydrophobicContact CE1-CD2 3.89Å; F135-F153 HydrophobicContact CB-CE2 4.4Å; F135-F153 HydrophobicContact CD2-CZ 4.47Å; F135-F153 HydrophobicContact CG-CE2 4.29Å; F135-L156 HydrophobicContact CB-CD1 3.87Å; F135-T158 PolarHBondContact N-O 2.84Å; F135-L159 HydrophobicContact CB-CD1 4.29Å; F135-L159 HydrophobicContact CD1-CD1 3.56Å; F135-L159 HydrophobicContact CE1-CD1 4.43Å; F135-L159 HydrophobicContact CG-CD1 4.41Å; F135-I160 PolarHBondContact O-N 2.84Å; F135-L161 HydrophobicContact CE1-CD2 4.25Å
136	E	98.3	Very high	94.6	Very high	28 Å²	28	45.3 Å²	45.3	13%	0.131	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.8	175.9	-174.8	167.7	145.7	0	0	109.8	L107 K108 L109 R134 I160	L107-E136 PolarHBondContact O-N 3.35Å; K108-E136 CarbonylContact C-O 3.52Å; K108-E136 VanDerWaalsContact CA-O 3.31Å; K108-E136 WeakPolarHBondContact CA-O 3.3Å; K108-E136 HydrophobicContact CB-CB 4.3Å; K108-E136 HydrophobicContact CD-CG 4.19Å; K108-E136 WeakPolarHBondContact CE-OE1 3.49Å; K108-E136 HydrophobicContact CG-CB 4.13Å; K108-E136 HydrophobicContact CG-CG 4.16Å; K108-E136 IonicContact NZ-OE1 3.27Å; K108-E136 PolarHBondContact NZ-OE1 3.07Å; L109-E136 PolarHBondContact N-O 3.02Å; R134-E136 IonicContact CZ-OE2 3.22Å; R134-E136 IonicContact NE-OE2 3.65Å; R134-E136 IonicContact NH2-OE2 2.71Å; R134-E136 PolarHBondContact NH2-OE2 3.13Å; E136-I160 CarbonylContact C-O 3.23Å; E136-I160 VanDerWaalsContact CA-O 3.29Å; E136-I160 WeakPolarHBondContact CA-O 3.41Å; E136-I160 HydrophobicContact CB-CB 4.25Å; E136-I160 HydrophobicContact CG-CB 3.98Å; E136-I160 HydrophobicContact CG-CG2 4.02Å
137	L	97.3	Very high	94.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.3	174.1	176.3	67.5	0	0	0	109.8	L109 L117 F119 F135 D139 L143 I160 L161 N162	L109-L137 HydrophobicContact CB-CD1 3.64Å; L109-L137 HydrophobicContact CD1-CD1 4.47Å; L109-L137 WeakPolarHBondContact O-CA 3.22Å; L117-L137 HydrophobicContact CD2-CD1 3.92Å; L117-L137 HydrophobicContact CD2-CD2 4.24Å; F119-L137 HydrophobicContact CE2-CD2 4.25Å; F119-L137 HydrophobicContact CZ-CD1 4.49Å; F119-L137 HydrophobicContact CZ-CD2 4.09Å; F135-L137 HydrophobicContact CE1-CB 4.08Å; F135-L137 HydrophobicContact CZ-CB 4.17Å; L137-D139 HydrophobicContact CD1-CB 4.25Å; L137-D139 HydrophobicContact CG-CB 4.32Å; L137-L143 HydrophobicContact CD2-CB 4.46Å; L137-L143 HydrophobicContact CD2-CD2 3.37Å; L137-L143 HydrophobicContact CD2-CG 4.48Å; L137-I160 PolarHBondContact N-O 3.07Å; L137-L161 HydrophobicContact CB-CD2 3.84Å; L137-L161 HydrophobicContact CD2-CD2 4.23Å; L137-N162 PolarHBondContact O-N 2.03Å
138	E	96.5	Very high	94.7	Very high	56 Å²	56	45.9 Å²	45.9	26%	0.262	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.8	167.9	-176.7	171.4	175.8	0	0	108.4	L109 I110 S111 N162	L109-E138 PolarHBondContact O-N 3.26Å; I110-E138 CarbonylContact C-O 3.34Å; I110-E138 VanDerWaalsContact CA-O 3.28Å; I110-E138 WeakPolarHBondContact CA-O 3.44Å; S111-E138 PolarHBondContact N-O 3.38Å; E138-N162 WeakPolarHBondContact CA-O 3.38Å; E138-N162 HydrophobicContact CB-CB 4.42Å; E138-N162 HydrophobicContact CG-CB 4.44Å
139	D	92.2	Very high	94.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.22	C	C	.	.			trans	-144.8	12.1	-164.4	74.8	-21.3	0	0	0	115.8	S111 L117 L137 R141 A142 L143 N163 T164	S111-D139 CarbonylContact O-C 3.59Å; S111-D139 VanDerWaalsContact O-CA 3.31Å; S111-D139 WeakPolarHBondContact O-CA 3.22Å; L117-D139 HydrophobicContact CD2-CB 4.11Å; L137-D139 HydrophobicContact CD1-CB 4.25Å; L137-D139 HydrophobicContact CG-CB 4.32Å; D139-R141 PolarHBondContact O-N 2.93Å; D139-R141 PolarHBondContact OD1-N 3.46Å; D139-A142 HydrophobicContact CB-CB 4.34Å; D139-A142 VanDerWaalsContact O-CB 3.32Å; D139-A142 WeakPolarHBondContact O-CB 3.26Å; D139-A142 PolarHBondContact O-N 3.17Å; D139-A142 VanDerWaalsContact O-N 3.09Å; D139-A142 PolarHBondContact OD2-N 3.19Å; D139-L143 VanDerWaalsContact OD2-CA 3.26Å; D139-L143 WeakPolarHBondContact OD2-CA 3.48Å; D139-L143 WeakPolarHBondContact OD2-CB 3.03Å; D139-L143 PolarHBondContact OD2-N 3.22Å; D139-N163 VanDerWaalsContact OD1-O 3.13Å; D139-T164 WeakPolarHBondContact OD1-CA 3.44Å; D139-T164 WeakPolarHBondContact OD1-CG2 3.48Å; D139-T164 PolarHBondContact OD1-N 3.49Å
140	E	91.9	Very high	94.7	Very high	105 Å²	105	45.8 Å²	45.8	49%	0.491	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	39.5	178.1	-62.2	-169.5	-153.5	0	0	114.9	P113 N163	P113-E140 HydrophobicContact CB-CB 4.37Å; P113-E140 VanDerWaalsContact CD-OE2 3.26Å; P113-E140 WeakPolarHBondContact CD-OE2 3.46Å; P113-E140 VanDerWaalsContact CG-OE2 3.25Å; P113-E140 WeakPolarHBondContact CG-OE2 3.32Å; E140-N163 CarbonylContact C-O 3.02Å
141	R	92.2	Very high	94.6	Very high	161 Å²	161	47 Å²	47	61%	0.608	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	22	174.9	-52.4	-178.4	172.4	132.8	-2.1	115.3	D139 N163 A165	D139-R141 PolarHBondContact O-N 2.93Å; D139-R141 PolarHBondContact OD1-N 3.46Å; R141-N163 VanDerWaalsContact CA-O 3.25Å; R141-N163 WeakPolarHBondContact CA-O 3.17Å; R141-N163 VanDerWaalsContact CG-O 3.31Å; R141-N163 WeakPolarHBondContact CG-O 3.28Å; R141-N163 PolarHBondContact N-O 3.32Å; R141-A165 HydrophobicContact CB-CB 4.21Å; R141-A165 WeakPolarHBondContact O-CB 3.43Å
142	A	93.8	Very high	94.6	Very high	9 Å²	9	45.9 Å²	45.9	7%	0.074	22%	0.221	C	C	.	.			trans	-77.9	-33.3	177.5	0	0	0	0	0	114	I116 L117 D139	I116-A142 WeakPolarHBondContact CA-O 3.17Å; L117-A142 HydrophobicContact CB-CB 3.78Å; L117-A142 PolarHBondContact N-O 2.84Å; L117-A142 VanDerWaalsContact N-O 3.09Å; D139-A142 HydrophobicContact CB-CB 4.34Å; D139-A142 VanDerWaalsContact O-CB 3.32Å; D139-A142 WeakPolarHBondContact O-CB 3.26Å; D139-A142 PolarHBondContact O-N 3.17Å; D139-A142 VanDerWaalsContact O-N 3.09Å; D139-A142 PolarHBondContact OD2-N 3.19Å
143	L	95.4	Very high	94.5	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.221	C	C	.	.			trans	-87.1	112.4	-177.8	-176.6	66.8	0	0	0	109.5	F119 L137 D139 E145 P147 T164 A165 I166	F119-L143 HydrophobicContact CD2-CD1 3.99Å; F119-L143 HydrophobicContact CE2-CD1 3.89Å; F119-L143 HydrophobicContact CE2-CD2 4.42Å; L137-L143 HydrophobicContact CD2-CB 4.46Å; L137-L143 HydrophobicContact CD2-CD2 3.37Å; L137-L143 HydrophobicContact CD2-CG 4.48Å; D139-L143 VanDerWaalsContact OD2-CA 3.26Å; D139-L143 WeakPolarHBondContact OD2-CA 3.48Å; D139-L143 WeakPolarHBondContact OD2-CB 3.03Å; D139-L143 PolarHBondContact OD2-N 3.22Å; L143-E145 WeakPolarHBondContact CD1-O 3.33Å; L143-E145 VanDerWaalsContact CG-O 3.28Å; L143-E145 WeakPolarHBondContact CG-O 3.08Å; L143-P147 HydrophobicContact CD2-CG 4.34Å; L143-T164 HydrophobicContact CB-CG2 4.46Å; L143-T164 HydrophobicContact CD2-CG2 4.39Å; L143-A165 CarbonylContact O-C 3.49Å; L143-A165 WeakPolarHBondContact O-CA 3.45Å; L143-A165 WeakPolarHBondContact O-CB 3.49Å; L143-A165 PolarHBondContact O-N 2.91Å; L143-I166 HydrophobicContact CD2-CD1 3.86Å; L143-I166 HydrophobicContact CD2-CG1 4.39Å; L143-I166 HydrophobicContact CG-CD1 4.28Å; L143-I166 HydrophobicContact CG-CG1 4.27Å; L143-I166 PolarHBondContact O-N 3.49Å
144	T	94.4	Very high	94.2	Very high	71 Å²	71	49 Å²	49	44%	0.436	23%	0.233	S	C	.	.			trans	-93.2	-17.8	-175	53.9	0	0	0	0	113.7	A165	T144-A165 HydrophobicContact CG2-CB 4.21Å
145	E	94.8	Very high	94	Very high	138 Å²	138	49.5 Å²	49.5	65%	0.645	24%	0.238	S	C	*	.	S	Bend	trans	-145.6	158.3	-176.4	61.9	179.6	-159.1	0	0	111.8	L143 P147	L143-E145 WeakPolarHBondContact CD1-O 3.33Å; L143-E145 VanDerWaalsContact CG-O 3.28Å; L143-E145 WeakPolarHBondContact CG-O 3.08Å; E145-P147 WeakPolarHBondContact O-CD 3.36Å
146	F	94.5	Very high	93.9	Very high	13 Å²	13	49.6 Å²	49.6	6%	0.057	24%	0.238	C	C	.	.			trans	-63.2	124.6	173.3	-95.2	-93.3	0	0	0	110.9	S148 L150 L159 L161 I166 R168 I169 P170 I173 L174 I184	F146-S148 PolarHBondContact O-N 3.02Å; F146-L150 HydrophobicContact CD1-CD1 3.95Å; F146-L150 HydrophobicContact CE1-CD1 4.49Å; F146-L159 HydrophobicContact CE1-CD2 4.35Å; F146-L161 HydrophobicContact CD1-CD1 4.22Å; F146-L161 HydrophobicContact CE1-CD1 3.66Å; F146-L161 HydrophobicContact CZ-CD1 3.89Å; F146-I166 HydrophobicContact CD2-CD1 4.13Å; F146-I166 HydrophobicContact CD2-CG2 3.58Å; F146-I166 HydrophobicContact CE2-CD1 4.27Å; F146-I166 HydrophobicContact CE2-CG2 3.74Å; F146-I166 HydrophobicContact CG-CD1 4.48Å; F146-R168 WeakPolarHBondContact CD2-O 3.42Å; F146-I169 HydrophobicContact CE2-CB 4.14Å; F146-I169 HydrophobicContact CE2-CG1 3.92Å; F146-I169 HydrophobicContact CE2-CG2 4.05Å; F146-I169 HydrophobicContact CZ-CG1 4.28Å; F146-I169 HydrophobicContact CZ-CG2 4.1Å; F146-P170 HydrophobicContact CB-CG 4.19Å; F146-I173 HydrophobicContact CB-CG1 3.99Å; F146-I173 HydrophobicContact CD1-CG1 4.13Å; F146-I173 HydrophobicContact CD1-CG2 4.15Å; F146-I173 HydrophobicContact CG-CG1 4.37Å; F146-I173 HydrophobicContact CG-CG2 4.34Å; F146-L174 HydrophobicContact CE1-CD2 4.38Å; F146-I184 HydrophobicContact CE2-CD1 4.01Å; F146-I184 HydrophobicContact CZ-CD1 3.5Å; F146-I184 VanDerWaalsContact CZ-CD1 3.5Å; F146-I184 HydrophobicContact CZ-CG1 4.38Å
147	P	92.6	Very high	93.9	Very high	7 Å²	7	50.6 Å²	50.6	5%	0.045	24%	0.243	C	C	.	.			trans	-72.1	127.5	-177.4	18.9	-21.4	0	0	0	111.2	F119 L143 E145 A149 L150	F119-P147 HydrophobicContact CB-CB 3.63Å; F119-P147 HydrophobicContact CD1-CB 4.23Å; F119-P147 HydrophobicContact CD1-CG 4.48Å; F119-P147 HydrophobicContact CD2-CB 3.62Å; F119-P147 HydrophobicContact CD2-CG 3.88Å; F119-P147 HydrophobicContact CE2-CB 4.35Å; F119-P147 HydrophobicContact CE2-CG 4.12Å; F119-P147 HydrophobicContact CG-CB 3.55Å; F119-P147 HydrophobicContact CG-CG 4.09Å; L143-P147 HydrophobicContact CD2-CG 4.34Å; E145-P147 WeakPolarHBondContact O-CD 3.36Å; P147-A149 PolarHBondContact O-N 3.34Å; P147-A149 VanDerWaalsContact O-N 3.09Å; P147-L150 HydrophobicContact CG-CD1 3.91Å; P147-L150 HydrophobicContact CG-CD2 4.32Å; P147-L150 HydrophobicContact CG-CG 3.85Å; P147-L150 WeakPolarHBondContact O-CB 3.08Å; P147-L150 WeakPolarHBondContact O-CG 3.26Å; P147-L150 PolarHBondContact O-N 3.16Å; P147-L150 VanDerWaalsContact O-N 3.09Å
148	S	92.7	Very high	93.9	Very high	63 Å²	63	51.6 Å²	51.6	44%	0.441	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-59.7	-24.4	179.4	61.8	0	0	0	0	113.2	F146 L150 K151	F146-S148 PolarHBondContact O-N 3.02Å; S148-L150 PolarHBondContact O-N 3.02Å; S148-K151 WeakPolarHBondContact O-CB 3.45Å; S148-K151 WeakPolarHBondContact O-CG 3.4Å; S148-K151 PolarHBondContact O-N 2.9Å
149	A	93.6	Very high	94	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-57.8	-25.5	176.2	0	0	0	0	0	113.2	F119 D120 A123 F124 P147 K151 A152	F119-A149 HydrophobicContact CB-CB 4.42Å; D120-A149 WeakPolarHBondContact O-CB 3.42Å; A123-A149 HydrophobicContact CB-CB 4.21Å; F124-A149 HydrophobicContact CD2-CB 3.61Å; F124-A149 HydrophobicContact CE2-CB 4.08Å; P147-A149 PolarHBondContact O-N 3.34Å; P147-A149 VanDerWaalsContact O-N 3.09Å; A149-K151 PolarHBondContact O-N 3.48Å; A149-K151 VanDerWaalsContact O-N 3.11Å; A149-A152 VanDerWaalsContact O-CB 3.29Å; A149-A152 WeakPolarHBondContact O-CB 3.13Å; A149-A152 PolarHBondContact O-N 2.75Å
150	L	93.1	Very high	94.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-61.5	-20.6	178.2	-60.9	178.7	0	0	0	113.1	F124 F135 F146 P147 S148 A152 F153 L159 K177	F124-L150 HydrophobicContact CE2-CD2 4.06Å; F135-L150 HydrophobicContact CD1-CD2 3.92Å; F135-L150 HydrophobicContact CE1-CD2 3.89Å; F146-L150 HydrophobicContact CD1-CD1 3.95Å; F146-L150 HydrophobicContact CE1-CD1 4.49Å; P147-L150 HydrophobicContact CG-CD1 3.91Å; P147-L150 HydrophobicContact CG-CD2 4.32Å; P147-L150 HydrophobicContact CG-CG 3.85Å; P147-L150 WeakPolarHBondContact O-CB 3.08Å; P147-L150 WeakPolarHBondContact O-CG 3.26Å; P147-L150 PolarHBondContact O-N 3.16Å; P147-L150 VanDerWaalsContact O-N 3.09Å; S148-L150 PolarHBondContact O-N 3.02Å; L150-A152 PolarHBondContact O-N 3.11Å; L150-F153 HydrophobicContact CB-CD2 4.42Å; L150-F153 HydrophobicContact CD2-CD2 4.05Å; L150-F153 HydrophobicContact CD2-CE2 3.48Å; L150-F153 VanDerWaalsContact CD2-CE2 3.48Å; L150-F153 PolarHBondContact O-N 2.86Å; L150-L159 HydrophobicContact CD1-CD2 4.29Å; L150-K177 PolarHBondContact O-NZ 2.83Å
151	K	91.7	Very high	94.5	Very high	119 Å²	119	44.6 Å²	44.6	52%	0.517	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-62.5	-22.6	174.4	-66.8	-174.9	176.4	-177.2	0	112.8	S148 A149 F153 I173	S148-K151 WeakPolarHBondContact O-CB 3.45Å; S148-K151 WeakPolarHBondContact O-CG 3.4Å; S148-K151 PolarHBondContact O-N 2.9Å; A149-K151 PolarHBondContact O-N 3.48Å; A149-K151 VanDerWaalsContact O-N 3.11Å; K151-F153 VanDerWaalsContact C-N 3.3Å; K151-F153 PolarHBondContact O-N 2.82Å; K151-I173 HydrophobicContact CD-CD1 4.46Å; K151-I173 HydrophobicContact CG-CD1 4Å
152	A	92.5	Very high	94.8	Very high	28 Å²	28	37.9 Å²	37.9	23%	0.231	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-66.6	-30.8	179.6	0	0	0	0	0	112.8	F124 A149 L150 K154	F124-A152 HydrophobicContact CB-CB 4.12Å; F124-A152 WeakPolarHBondContact O-CB 3.46Å; A149-A152 VanDerWaalsContact O-CB 3.29Å; A149-A152 WeakPolarHBondContact O-CB 3.13Å; A149-A152 PolarHBondContact O-N 2.75Å; L150-A152 PolarHBondContact O-N 3.11Å; A152-K154 PolarHBondContact O-N 2.03Å
153	F	93.6	Very high	95	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.013	20%	0.201	C	C	.	.			trans	-67.5	123.6	-175	-58.9	-52.4	0	0	0	113.1	F124 G129 L132 F135 L150 K151 L156 K177	F124-F153 HydrophobicContact CB-CD1 4.35Å; F124-F153 HydrophobicContact CB-CE1 3.6Å; F124-F153 HydrophobicContact CB-CZ 3.79Å; F124-F153 AromaticContact CD1-CE1 3.96Å; F124-F153 HydrophobicContact CD1-CE1 3.96Å; F124-F153 AromaticContact CD1-CZ 3.64Å; F124-F153 HydrophobicContact CD1-CZ 3.64Å; F124-F153 HydrophobicContact CD2-CE1 4.15Å; F124-F153 AromaticContact CD2-CE2 3.84Å; F124-F153 HydrophobicContact CD2-CE2 3.84Å; F124-F153 AromaticContact CD2-CZ 3.41Å; F124-F153 HydrophobicContact CD2-CZ 3.41Å; F124-F153 VanDerWaalsContact CD2-CZ 3.41Å; F124-F153 AromaticContact CE1-CZ 3.96Å; F124-F153 HydrophobicContact CE1-CZ 3.96Å; F124-F153 HydrophobicContact CE2-CE2 4.08Å; F124-F153 AromaticContact CE2-CZ 3.78Å; F124-F153 HydrophobicContact CE2-CZ 3.78Å; F124-F153 AromaticContact CG-CE1 3.66Å; F124-F153 HydrophobicContact CG-CE1 3.66Å; F124-F153 HydrophobicContact CG-CE2 4.2Å; F124-F153 AromaticContact CG-CZ 3.33Å; F124-F153 HydrophobicContact CG-CZ 3.33Å; F124-F153 HydrophobicContact CZ-CZ 4.02Å; G129-F153 CarbonylContact O-C 3.47Å; G129-F153 WeakPolarHBondContact O-CA 3.03Å; L132-F153 HydrophobicContact CB-CD1 4.02Å; L132-F153 HydrophobicContact CB-CE1 4.06Å; L132-F153 HydrophobicContact CD2-CD1 3.93Å; L132-F153 HydrophobicContact CD2-CE1 3.32Å; L132-F153 HydrophobicContact CD2-CE2 4.2Å; L132-F153 HydrophobicContact CD2-CZ 3.48Å; L132-F153 VanDerWaalsContact CD2-CZ 3.48Å; L132-F153 HydrophobicContact CG-CE1 4.32Å; F135-F153 HydrophobicContact CB-CE2 4.4Å; F135-F153 HydrophobicContact CD2-CZ 4.47Å; F135-F153 HydrophobicContact CG-CE2 4.29Å; L150-F153 HydrophobicContact CB-CD2 4.42Å; L150-F153 HydrophobicContact CD2-CD2 4.05Å; L150-F153 HydrophobicContact CD2-CE2 3.48Å; L150-F153 VanDerWaalsContact CD2-CE2 3.48Å; L150-F153 PolarHBondContact O-N 2.86Å; K151-F153 VanDerWaalsContact C-N 3.3Å; K151-F153 PolarHBondContact O-N 2.82Å; F153-L156 HydrophobicContact CB-CB 3.93Å; F153-L156 HydrophobicContact CB-CD2 4.43Å; F153-L156 HydrophobicContact CD2-CD1 4.46Å; F153-L156 HydrophobicContact CD2-CD2 3.97Å; F153-K177 PolarHBondContact O-NZ 2.01Å
154	K	92	Very high	95	Very high	136 Å²	136	39.4 Å²	39.4	59%	0.591	20%	0.2	S	C	*	.	S	Bend	trans	-100.5	-23.4	-179.1	-59.8	-55.1	-177.8	-174.5	0	114.8	G129 L130 A152	G129-K154 PolarHBondContact O-N 3.16Å; L130-K154 HydrophobicContact CD2-CG 4.27Å; A152-K154 PolarHBondContact O-N 2.03Å
155	K	94.1	Very high	95.1	Very high	98 Å²	98	36.5 Å²	36.5	43%	0.426	18%	0.183	S	C	.	.	S	Bend	trans	-121.1	20.7	-176.7	-70.3	-168.1	174.8	-172	0	114.1	L130 L132 E133 H157	L130-K155 WeakPolarHBondContact O-CD 3.43Å; L132-K155 CarbonylContact O-C 3.47Å; L132-K155 VanDerWaalsContact O-C 3.26Å; E133-K155 WeakPolarHBondContact CA-O 3.11Å; K155-H157 PolarHBondContact O-CD2 3.41Å; K155-H157 PolarHBondContact O-N 3.33Å; K155-H157 VanDerWaalsContact O-N 3.12Å
156	L	95.7	Very high	95.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.152	C	C	.	.			trans	-69.6	112.6	-176.5	-164.7	70.5	0	0	0	111	L132 F135 F153 T158 L159 I178 L179	L132-L156 HydrophobicContact CD2-CD1 4.42Å; L132-L156 PolarHBondContact O-N 3.16Å; F135-L156 HydrophobicContact CB-CD1 3.87Å; F153-L156 HydrophobicContact CB-CB 3.93Å; F153-L156 HydrophobicContact CB-CD2 4.43Å; F153-L156 HydrophobicContact CD2-CD1 4.46Å; F153-L156 HydrophobicContact CD2-CD2 3.97Å; L156-T158 WeakPolarHBondContact CD1-O 3.22Å; L156-L159 HydrophobicContact CD2-CB 4.01Å; L156-L159 HydrophobicContact CD2-CD1 4.46Å; L156-I178 CarbonylContact O-C 3.39Å; L156-L179 HydrophobicContact CD2-CD1 4.17Å; L156-L179 HydrophobicContact CG-CD1 4.08Å; L156-L179 WeakPolarHBondContact O-CA 3.37Å; L156-L179 PolarHBondContact O-N 3.45Å
157	H	97	Very high	95.3	Very high	49 Å²	49	31.3 Å²	31.3	23%	0.227	17%	0.166	C	C	.	.			trans	-91.5	-36.2	173.2	-70.4	-92	0	0	0	111.6	E133 K155 I178 L179 E180 T181	E133-H157 PolarHBondContact O-N 3.17Å; K155-H157 PolarHBondContact O-CD2 3.41Å; K155-H157 PolarHBondContact O-N 3.33Å; K155-H157 VanDerWaalsContact O-N 3.12Å; H157-I178 WeakPolarHBondContact NE2-CD1 3.49Å; H157-L179 WeakPolarHBondContact O-CD1 3.24Å; H157-E180 IonicContact CE1-OE1 2.75Å; H157-E180 IonicContact CG-OE1 2.72Å; H157-E180 IonicContact ND1-OE1 3.91Å; H157-E180 PolarHBondContact ND1-OE1 3.06Å; H157-E180 PolarHBondContact O-N 3.29Å; H157-T181 PolarHBondContact O-N 2.92Å
158	T	98.1	Very high	95.5	Very high	22 Å²	22	36.2 Å²	36.2	14%	0.135	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.3	-178	-54.7	0	0	0	0	111.4	E133 R134 F135 L156 I160 T181	E133-T158 PolarHBondContact O-N 2.87Å; R134-T158 WeakPolarHBondContact CA-O 3.28Å; R134-T158 HydrophobicContact CG-CG2 4.18Å; F135-T158 PolarHBondContact N-O 2.84Å; L156-T158 WeakPolarHBondContact CD1-O 3.22Å; T158-I160 HydrophobicContact CG2-CD1 3.98Å; T158-I160 HydrophobicContact CG2-CG1 3.71Å; T158-T181 WeakPolarHBondContact CA-O 3.19Å; T158-T181 HydrophobicContact CG2-CG2 4.15Å
159	L	97.7	Very high	95.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.6	170.2	176.7	57.1	0	0	0	109.6	F135 F146 L150 L156 L161 L174 L179 T181 L182 R183	F135-L159 HydrophobicContact CB-CD1 4.29Å; F135-L159 HydrophobicContact CD1-CD1 3.56Å; F135-L159 HydrophobicContact CE1-CD1 4.43Å; F135-L159 HydrophobicContact CG-CD1 4.41Å; F146-L159 HydrophobicContact CE1-CD2 4.35Å; L150-L159 HydrophobicContact CD1-CD2 4.29Å; L156-L159 HydrophobicContact CD2-CB 4.01Å; L156-L159 HydrophobicContact CD2-CD1 4.46Å; L159-L161 HydrophobicContact CD1-CD2 4.01Å; L159-L161 HydrophobicContact CD1-CG 4.22Å; L159-L161 HydrophobicContact CG-CG 4.41Å; L159-L174 HydrophobicContact CD2-CD2 3.54Å; L159-L179 HydrophobicContact CB-CD1 3.91Å; L159-T181 PolarHBondContact N-O 2.91Å; L159-L182 HydrophobicContact CB-CD1 4.04Å; L159-L182 HydrophobicContact CD2-CD1 3.79Å; L159-L182 HydrophobicContact CG-CD1 3.94Å; L159-R183 PolarHBondContact O-N 2.92Å
160	I	98.3	Very high	95.8	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.8	177.7	-54.7	-167.5	0	0	0	109.8	F135 E136 L137 T158 N162 R183	F135-I160 PolarHBondContact O-N 2.84Å; E136-I160 CarbonylContact C-O 3.23Å; E136-I160 VanDerWaalsContact CA-O 3.29Å; E136-I160 WeakPolarHBondContact CA-O 3.41Å; E136-I160 HydrophobicContact CB-CB 4.25Å; E136-I160 HydrophobicContact CG-CB 3.98Å; E136-I160 HydrophobicContact CG-CG2 4.02Å; L137-I160 PolarHBondContact N-O 3.07Å; T158-I160 HydrophobicContact CG2-CD1 3.98Å; T158-I160 HydrophobicContact CG2-CG1 3.71Å; I160-N162 VanDerWaalsContact CG2-ND2 3.35Å; I160-N162 WeakPolarHBondContact CG2-ND2 3.22Å; I160-N162 VanDerWaalsContact CG2-OD1 3.31Å; I160-N162 WeakPolarHBondContact CG2-OD1 3.31Å; I160-R183 CarbonylContact C-O 3.52Å; I160-R183 VanDerWaalsContact CA-O 3.29Å; I160-R183 WeakPolarHBondContact CA-O 3.26Å; I160-R183 HydrophobicContact CB-CB 4.47Å; I160-R183 HydrophobicContact CG1-CB 4.12Å; I160-R183 HydrophobicContact CG2-CB 4.24Å; I160-R183 HydrophobicContact CG2-CG 4.32Å
161	L	97.7	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	112.1	175	-56.4	179.4	0	0	0	108.2	F135 L137 F146 L159 T164 I166 R183 I184 S185	F135-L161 HydrophobicContact CE1-CD2 4.25Å; L137-L161 HydrophobicContact CB-CD2 3.84Å; L137-L161 HydrophobicContact CD2-CD2 4.23Å; F146-L161 HydrophobicContact CD1-CD1 4.22Å; F146-L161 HydrophobicContact CE1-CD1 3.66Å; F146-L161 HydrophobicContact CZ-CD1 3.89Å; L159-L161 HydrophobicContact CD1-CD2 4.01Å; L159-L161 HydrophobicContact CD1-CG 4.22Å; L159-L161 HydrophobicContact CG-CG 4.41Å; L161-T164 HydrophobicContact CB-CG2 4.1Å; L161-I166 HydrophobicContact CD1-CD1 3.73Å; L161-R183 PolarHBondContact N-O 3.42Å; L161-I184 HydrophobicContact CB-CG1 4.47Å; L161-I184 HydrophobicContact CB-CG2 4.33Å; L161-I184 HydrophobicContact CD1-CG1 4.5Å; L161-I184 CarbonylContact O-C 3.4Å; L161-I184 VanDerWaalsContact O-CA 3.22Å; L161-I184 WeakPolarHBondContact O-CA 3.16Å; L161-S185 PolarHBondContact O-N 2.88Å
162	N	97.9	Very high	95.5	Very high	19 Å²	19	36.3 Å²	36.3	10%	0.102	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.4	-175.5	-63.1	-30.8	0	0	0	110.4	L137 E138 I160 T164 S185	L137-N162 PolarHBondContact O-N 2.03Å; E138-N162 WeakPolarHBondContact CA-O 3.38Å; E138-N162 HydrophobicContact CB-CB 4.42Å; E138-N162 HydrophobicContact CG-CB 4.44Å; I160-N162 VanDerWaalsContact CG2-ND2 3.35Å; I160-N162 WeakPolarHBondContact CG2-ND2 3.22Å; I160-N162 VanDerWaalsContact CG2-OD1 3.31Å; I160-N162 WeakPolarHBondContact CG2-OD1 3.31Å; N162-T164 PolarHBondContact O-N 2.92Å; N162-S185 PolarHBondContact OD1-OG 2.94Å
163	N	96.7	Very high	95.2	Very high	46 Å²	46	35.4 Å²	35.4	25%	0.246	18%	0.178	C	C	.	.	S	Bend	trans	60.2	27.8	172.7	-58.2	0.5	0	0	0	114.3	D139 E140 R141 S185 N186	D139-N163 VanDerWaalsContact OD1-O 3.13Å; E140-N163 CarbonylContact C-O 3.02Å; R141-N163 VanDerWaalsContact CA-O 3.25Å; R141-N163 WeakPolarHBondContact CA-O 3.17Å; R141-N163 VanDerWaalsContact CG-O 3.31Å; R141-N163 WeakPolarHBondContact CG-O 3.28Å; R141-N163 PolarHBondContact N-O 3.32Å; N163-S185 PolarHBondContact N-O 2.99Å; N163-N186 WeakPolarHBondContact CA-O 3.35Å; N163-N186 VanDerWaalsContact OD1-CB 3.26Å; N163-N186 WeakPolarHBondContact OD1-CB 3.29Å; N163-N186 PolarHBondContact OD1-ND2 3.37Å
164	T	96.4	Very high	95	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.			trans	-83.2	177.2	-178.6	77.6	0	0	0	0	113.2	D139 L143 L161 N162 I166 S187	D139-T164 WeakPolarHBondContact OD1-CA 3.44Å; D139-T164 WeakPolarHBondContact OD1-CG2 3.48Å; D139-T164 PolarHBondContact OD1-N 3.49Å; L143-T164 HydrophobicContact CB-CG2 4.46Å; L143-T164 HydrophobicContact CD2-CG2 4.39Å; L161-T164 HydrophobicContact CB-CG2 4.1Å; N162-T164 PolarHBondContact O-N 2.92Å; T164-I166 HydrophobicContact CG2-CD1 4.35Å; T164-I166 WeakPolarHBondContact OG1-CG1 3.11Å; T164-I166 PolarHBondContact OG1-N 2.88Å; T164-S187 PolarHBondContact N-OG 2.67Å; T164-S187 VanDerWaalsContact O-CA 3.29Å; T164-S187 WeakPolarHBondContact O-CA 3.42Å; T164-S187 WeakPolarHBondContact OG1-CB 3.39Å; T164-S187 PolarHBondContact OG1-OG 2.79Å
165	A	96.1	Very high	94.6	Very high	10 Å²	10	30.8 Å²	30.8	8%	0.083	16%	0.163	C	C	.	.			trans	-103	11.5	170.2	0	0	0	0	0	113.3	R141 L143 T144 A167	R141-A165 HydrophobicContact CB-CB 4.21Å; R141-A165 WeakPolarHBondContact O-CB 3.43Å; L143-A165 CarbonylContact O-C 3.49Å; L143-A165 WeakPolarHBondContact O-CA 3.45Å; L143-A165 WeakPolarHBondContact O-CB 3.49Å; L143-A165 PolarHBondContact O-N 2.91Å; T144-A165 HydrophobicContact CG2-CB 4.21Å; A165-A167 PolarHBondContact O-N 2.72Å
166	I	96.8	Very high	93.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.179	C	C	.	.			trans	-61.1	126.6	-178	-58.6	171.8	0	0	0	110.1	L143 F146 L161 T164 R168 R188 I189	L143-I166 HydrophobicContact CD2-CD1 3.86Å; L143-I166 HydrophobicContact CD2-CG1 4.39Å; L143-I166 HydrophobicContact CG-CD1 4.28Å; L143-I166 HydrophobicContact CG-CG1 4.27Å; L143-I166 PolarHBondContact O-N 3.49Å; F146-I166 HydrophobicContact CD2-CD1 4.13Å; F146-I166 HydrophobicContact CD2-CG2 3.58Å; F146-I166 HydrophobicContact CE2-CD1 4.27Å; F146-I166 HydrophobicContact CE2-CG2 3.74Å; F146-I166 HydrophobicContact CG-CD1 4.48Å; L161-I166 HydrophobicContact CD1-CD1 3.73Å; T164-I166 HydrophobicContact CG2-CD1 4.35Å; T164-I166 WeakPolarHBondContact OG1-CG1 3.11Å; T164-I166 PolarHBondContact OG1-N 2.88Å; I166-R168 VanDerWaalsContact CG2-O 3.28Å; I166-R168 WeakPolarHBondContact CG2-O 3.19Å; I166-R188 CarbonylContact O-C 3.5Å; I166-R188 VanDerWaalsContact O-CA 3.32Å; I166-R188 WeakPolarHBondContact O-CA 3.35Å; I166-R188 PolarHBondContact O-N 2.83Å; I166-I189 HydrophobicContact CB-CD1 4.14Å; I166-I189 HydrophobicContact CG2-CD1 3.56Å; I166-I189 WeakPolarHBondContact O-CD1 3.04Å; I166-I189 PolarHBondContact O-N 2.71Å; I166-I189 VanDerWaalsContact O-N 3.16Å
167	A	97.2	Very high	93.1	Very high	40 Å²	40	34.2 Å²	34.2	33%	0.331	18%	0.181	S	C	.	.			trans	-99.7	-20.9	-179.2	0	0	0	0	0	114.3	A165 R188 I189 N190 D191	A165-A167 PolarHBondContact O-N 2.72Å; A167-R188 WeakPolarHBondContact CA-O 3.27Å; A167-R188 HydrophobicContact CB-CB 4.44Å; A167-I189 WeakPolarHBondContact O-CA 3.4Å; A167-N190 PolarHBondContact O-N 2.86Å; A167-N190 PolarHBondContact O-OD1 3.42Å; A167-N190 VanDerWaalsContact O-OD1 3.08Å; A167-D191 PolarHBondContact O-N 2.88Å
168	R	96.9	Very high	92.9	Very high	111 Å²	111	34.9 Å²	34.9	42%	0.419	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.2	-176.2	178.1	178.3	179.7	171.9	2.5	112.2	F146 I166 P170 D191 D193	F146-R168 WeakPolarHBondContact CD2-O 3.42Å; I166-R168 VanDerWaalsContact CG2-O 3.28Å; I166-R168 WeakPolarHBondContact CG2-O 3.19Å; R168-P170 WeakPolarHBondContact O-CD 3.44Å; R168-D191 VanDerWaalsContact CA-O 3.25Å; R168-D191 WeakPolarHBondContact CA-O 3.49Å; R168-D191 HydrophobicContact CB-CB 4.35Å; R168-D191 WeakPolarHBondContact CD-OD2 3.46Å; R168-D191 HydrophobicContact CG-CB 4.14Å; R168-D191 WeakPolarHBondContact CG-OD2 3.45Å; R168-D191 IonicContact CZ-OD2 3.77Å; R168-D191 IonicContact NE-OD2 2.99Å; R168-D191 PolarHBondContact NE-OD2 2.87Å; R168-D191 IonicContact NH1-OD2 3.8Å; R168-D193 IonicContact CZ-OD2 3.64Å; R168-D193 IonicContact NH2-OD2 2.69Å; R168-D193 PolarHBondContact NH2-OD2 2.79Å
169	I	96.4	Very high	92.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	107.8	160.4	-45.3	-176.7	0	0	0	108.2	F146 I173 I184 I189 D191 I192 D193 A196 L208	F146-I169 HydrophobicContact CE2-CB 4.14Å; F146-I169 HydrophobicContact CE2-CG1 3.92Å; F146-I169 HydrophobicContact CE2-CG2 4.05Å; F146-I169 HydrophobicContact CZ-CG1 4.28Å; F146-I169 HydrophobicContact CZ-CG2 4.1Å; I169-I173 HydrophobicContact CG2-CG2 4.41Å; I169-I184 HydrophobicContact CD1-CD1 3.57Å; I169-I184 HydrophobicContact CG1-CD1 3.92Å; I169-I189 HydrophobicContact CG1-CD1 4.05Å; I169-I189 HydrophobicContact CG1-CG2 4.42Å; I169-D191 PolarHBondContact N-O 2.87Å; I169-D191 VanDerWaalsContact N-O 3.13Å; I169-I192 HydrophobicContact CB-CG2 4.15Å; I169-I192 HydrophobicContact CD1-CD1 4.28Å; I169-I192 HydrophobicContact CD1-CG1 4.17Å; I169-I192 HydrophobicContact CD1-CG2 4.2Å; I169-I192 HydrophobicContact CG1-CG1 4.34Å; I169-I192 HydrophobicContact CG1-CG2 4.47Å; I169-D193 WeakPolarHBondContact O-CB 3.48Å; I169-D193 PolarHBondContact O-N 2.94Å; I169-A196 HydrophobicContact CB-CB 4.2Å; I169-A196 HydrophobicContact CG2-CB 3.78Å; I169-L208 HydrophobicContact CD1-CD2 4.27Å
170	P	95.4	Very high	92.8	Very high	40 Å²	40	37.2 Å²	37.2	26%	0.26	20%	0.195	S	C	.	.			trans	-79	162.7	-175.9	31.4	-35.8	0	0	0	112.8	F146 R168 I173	F146-P170 HydrophobicContact CB-CG 4.19Å; R168-P170 WeakPolarHBondContact O-CD 3.44Å; P170-I173 HydrophobicContact CG-CB 4.04Å; P170-I173 HydrophobicContact CG-CG2 3.87Å; P170-I173 WeakPolarHBondContact O-CG2 3.38Å
171	H	92.9	Very high	92.9	Very high	123 Å²	123	38 Å²	38	57%	0.569	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	140.6	175.5	71	-89.4	0	0	0	112.3	I173 D193	H171-I173 PolarHBondContact O-N 2.85Å; H171-D193 HydrophobicContact CB-CB 4.46Å
172	G	85.4	Confident	92.9	Very high	20 Å²	20	38 Å²	38	21%	0.206	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	11.8	167	0	0	0	0	0	116.9	S175	G172-S175 PolarHBondContact O-OG 2.82Å; G172-S175 VanDerWaalsContact O-OG 3.09Å
173	I	86.8	Confident	92.9	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.051	21%	0.207	C	C	.	.	S	Bend	trans	-78	-30.6	177	-167.4	60.4	0	0	0	112.3	F146 K151 I169 P170 H171	F146-I173 HydrophobicContact CB-CG1 3.99Å; F146-I173 HydrophobicContact CD1-CG1 4.13Å; F146-I173 HydrophobicContact CD1-CG2 4.15Å; F146-I173 HydrophobicContact CG-CG1 4.37Å; F146-I173 HydrophobicContact CG-CG2 4.34Å; K151-I173 HydrophobicContact CD-CD1 4.46Å; K151-I173 HydrophobicContact CG-CD1 4Å; I169-I173 HydrophobicContact CG2-CG2 4.41Å; P170-I173 HydrophobicContact CG-CB 4.04Å; P170-I173 HydrophobicContact CG-CG2 3.87Å; P170-I173 WeakPolarHBondContact O-CG2 3.38Å; H171-I173 PolarHBondContact O-N 2.85Å
174	L	90.5	Very high	93	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-104.3	-2.6	177.5	-56.5	-179.1	0	0	0	113.2	F146 L159 K177 L179 L182 L197 L200	F146-L174 HydrophobicContact CE1-CD2 4.38Å; L159-L174 HydrophobicContact CD2-CD2 3.54Å; L174-K177 WeakPolarHBondContact O-CB 3.08Å; L174-K177 WeakPolarHBondContact O-CD 3.18Å; L174-K177 VanDerWaalsContact O-CG 3.3Å; L174-K177 WeakPolarHBondContact O-CG 3.27Å; L174-L179 HydrophobicContact CD1-CD2 4.35Å; L174-L182 HydrophobicContact CD1-CD1 3.98Å; L174-L182 HydrophobicContact CD1-CD2 3.41Å; L174-L182 VanDerWaalsContact CD1-CD2 3.41Å; L174-L182 HydrophobicContact CD1-CG 4.31Å; L174-L197 HydrophobicContact CD1-CD2 4.25Å; L174-L200 HydrophobicContact CB-CD1 4.15Å; L174-L200 VanDerWaalsContact O-CD2 3.23Å; L174-L200 WeakPolarHBondContact O-CD2 3.36Å
175	S	82.1	Confident	93.1	Very high	41 Å²	41	38.2 Å²	38.2	29%	0.287	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	149.1	-173.7	57.6	0	0	0	0	113	G172	G172-S175 PolarHBondContact O-OG 2.82Å; G172-S175 VanDerWaalsContact O-OG 3.09Å
176	E	76.7	Confident	93.2	Very high	161 Å²	161	41.6 Å²	41.6	75%	0.752	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	35.8	175.3	-51.6	-176.4	167.8	0	0	114
177	K	82.4	Confident	93.2	Very high	10 Å²	10	42 Å²	42	4%	0.043	22%	0.216	C	C	.	.			trans	-112.9	151.8	177.4	-65	-177.8	-176.3	-69.6	0	111.1	L150 F153 L174 L179 L200	L150-K177 PolarHBondContact O-NZ 2.83Å; F153-K177 PolarHBondContact O-NZ 2.01Å; L174-K177 WeakPolarHBondContact O-CB 3.08Å; L174-K177 WeakPolarHBondContact O-CD 3.18Å; L174-K177 VanDerWaalsContact O-CG 3.3Å; L174-K177 WeakPolarHBondContact O-CG 3.27Å; K177-L179 HydrophobicContact CB-CB 4.1Å; K177-L179 PolarHBondContact O-N 3.17Å; K177-L200 HydrophobicContact CB-CD2 3.99Å
178	I	93	Very high	93.2	Very high	63 Å²	63	46.3 Å²	46.3	32%	0.323	22%	0.224	S	C	.	.			trans	-84.2	33	167.8	59	175.7	0	0	0	111.4	L156 H157 E180 F202	L156-I178 CarbonylContact O-C 3.39Å; H157-I178 WeakPolarHBondContact NE2-CD1 3.49Å; I178-E180 PolarHBondContact O-N 3.4Å; I178-F202 HydrophobicContact CG2-CD2 4.36Å
179	L	96.4	Very high	93.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.			trans	-66.3	123.3	-174.1	-165.5	72.2	0	0	0	109.7	L156 H157 L159 L174 K177 L182 L200 F202 L203	L156-L179 HydrophobicContact CD2-CD1 4.17Å; L156-L179 HydrophobicContact CG-CD1 4.08Å; L156-L179 WeakPolarHBondContact O-CA 3.37Å; L156-L179 PolarHBondContact O-N 3.45Å; H157-L179 WeakPolarHBondContact O-CD1 3.24Å; L159-L179 HydrophobicContact CB-CD1 3.91Å; L174-L179 HydrophobicContact CD1-CD2 4.35Å; K177-L179 HydrophobicContact CB-CB 4.1Å; K177-L179 PolarHBondContact O-N 3.17Å; L179-L182 HydrophobicContact CD2-CB 3.93Å; L179-L182 HydrophobicContact CD2-CD1 4.34Å; L179-L200 HydrophobicContact CB-CD2 4.04Å; L179-F202 CarbonylContact O-C 3.55Å; L179-F202 VanDerWaalsContact O-C 3.26Å; L179-L203 HydrophobicContact CD2-CD1 4.18Å; L179-L203 HydrophobicContact CG-CD1 4.21Å; L179-L203 WeakPolarHBondContact O-CA 3.27Å; L179-L203 PolarHBondContact O-N 3.45Å; L179-L203 VanDerWaalsContact O-N 3.13Å
180	E	98	Very high	93.3	Very high	73 Å²	73	45.5 Å²	45.5	34%	0.341	23%	0.228	S	C	.	.			trans	-98.6	-36.5	178.2	-67	177.2	-157.1	0	0	111.6	H157 I178 F202 F204 N205	H157-E180 IonicContact CE1-OE1 2.75Å; H157-E180 IonicContact CG-OE1 2.72Å; H157-E180 IonicContact ND1-OE1 3.91Å; H157-E180 PolarHBondContact ND1-OE1 3.06Å; H157-E180 PolarHBondContact O-N 3.29Å; I178-E180 PolarHBondContact O-N 3.4Å; E180-F202 WeakPolarHBondContact CA-O 3.47Å; E180-F204 HydrophobicContact CB-CD2 4.28Å; E180-F204 HydrophobicContact CG-CD2 4.24Å; E180-F204 HydrophobicContact CG-CE2 4.23Å; E180-F204 PolarHBondContact O-N 3.19Å; E180-N205 PolarHBondContact O-N 3.28Å
181	T	98.5	Very high	93.4	Very high	29 Å²	29	46.7 Å²	46.7	18%	0.178	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.1	-179.5	-59.3	0	0	0	0	111.1	H157 T158 L159 N205	H157-T181 PolarHBondContact O-N 2.92Å; T158-T181 WeakPolarHBondContact CA-O 3.19Å; T158-T181 HydrophobicContact CG2-CG2 4.15Å; L159-T181 PolarHBondContact N-O 2.91Å; T181-N205 WeakPolarHBondContact CA-O 3.31Å; T181-N205 HydrophobicContact CG2-CB 3.98Å
182	L	98	Very high	93.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116	166.9	177.7	61.9	0	0	0	108.9	L159 L174 L179 I184 L197 L203 N205 L206 E207	L159-L182 HydrophobicContact CB-CD1 4.04Å; L159-L182 HydrophobicContact CD2-CD1 3.79Å; L159-L182 HydrophobicContact CG-CD1 3.94Å; L174-L182 HydrophobicContact CD1-CD1 3.98Å; L174-L182 HydrophobicContact CD1-CD2 3.41Å; L174-L182 VanDerWaalsContact CD1-CD2 3.41Å; L174-L182 HydrophobicContact CD1-CG 4.31Å; L179-L182 HydrophobicContact CD2-CB 3.93Å; L179-L182 HydrophobicContact CD2-CD1 4.34Å; L182-I184 HydrophobicContact CD1-CD1 4.38Å; L182-I184 HydrophobicContact CD1-CG1 4.17Å; L182-I184 HydrophobicContact CG-CG1 4.43Å; L182-L197 HydrophobicContact CD2-CD2 4.01Å; L182-L203 HydrophobicContact CB-CD1 3.99Å; L182-N205 PolarHBondContact N-O 3.24Å; L182-L206 HydrophobicContact CB-CD1 4.04Å; L182-L206 HydrophobicContact CD2-CD1 3.74Å; L182-L206 HydrophobicContact CG-CD1 4.02Å; L182-L206 WeakPolarHBondContact O-CA 3.34Å; L182-E207 PolarHBondContact O-N 2.83Å
183	R	98.5	Very high	94.1	Very high	65 Å²	65	41.6 Å²	41.6	25%	0.245	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.8	172.4	-178	178.6	176.3	85.9	4.1	110.4	L159 I160 L161 E207	L159-R183 PolarHBondContact O-N 2.92Å; I160-R183 CarbonylContact C-O 3.52Å; I160-R183 VanDerWaalsContact CA-O 3.29Å; I160-R183 WeakPolarHBondContact CA-O 3.26Å; I160-R183 HydrophobicContact CB-CB 4.47Å; I160-R183 HydrophobicContact CG1-CB 4.12Å; I160-R183 HydrophobicContact CG2-CB 4.24Å; I160-R183 HydrophobicContact CG2-CG 4.32Å; L161-R183 PolarHBondContact N-O 3.42Å; R183-E207 CarbonylContact C-O 3.09Å; R183-E207 VanDerWaalsContact CA-O 3.24Å; R183-E207 WeakPolarHBondContact CA-O 3.45Å; R183-E207 HydrophobicContact CB-CB 4Å; R183-E207 VanDerWaalsContact CD-OE2 3.27Å; R183-E207 WeakPolarHBondContact CD-OE2 3.5Å; R183-E207 HydrophobicContact CG-CB 3.83Å; R183-E207 IonicContact CZ-OE2 3.84Å; R183-E207 IonicContact NE-OE2 3.39Å; R183-E207 IonicContact NH1-OE2 3.76Å; R183-E207 PolarHBondContact NH1-OE2 2.75Å
184	I	98	Very high	94.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	102.1	170.7	-50.8	167.3	0	0	0	107	F146 L161 I169 L182 I189 E207 L208 N211	F146-I184 HydrophobicContact CE2-CD1 4.01Å; F146-I184 HydrophobicContact CZ-CD1 3.5Å; F146-I184 VanDerWaalsContact CZ-CD1 3.5Å; F146-I184 HydrophobicContact CZ-CG1 4.38Å; L161-I184 HydrophobicContact CB-CG1 4.47Å; L161-I184 HydrophobicContact CB-CG2 4.33Å; L161-I184 HydrophobicContact CD1-CG1 4.5Å; L161-I184 CarbonylContact O-C 3.4Å; L161-I184 VanDerWaalsContact O-CA 3.22Å; L161-I184 WeakPolarHBondContact O-CA 3.16Å; I169-I184 HydrophobicContact CD1-CD1 3.57Å; I169-I184 HydrophobicContact CG1-CD1 3.92Å; L182-I184 HydrophobicContact CD1-CD1 4.38Å; L182-I184 HydrophobicContact CD1-CG1 4.17Å; L182-I184 HydrophobicContact CG-CG1 4.43Å; I184-I189 HydrophobicContact CG2-CD1 4.48Å; I184-I189 HydrophobicContact CG2-CG1 3.98Å; I184-E207 PolarHBondContact N-O 2.95Å; I184-L208 HydrophobicContact CB-CD2 3.86Å; I184-L208 HydrophobicContact CD1-CD2 3.89Å; I184-L208 HydrophobicContact CG1-CD2 4.12Å; I184-L208 CarbonylContact O-C 3.45Å; I184-L208 WeakPolarHBondContact O-CA 3.44Å; I184-N211 PolarHBondContact O-ND2 2.8Å
185	S	98.5	Very high	94.6	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.028	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.6	-175.3	73.1	0	0	0	0	113.3	L161 N162 N163 S187 P209	L161-S185 PolarHBondContact O-N 2.88Å; N162-S185 PolarHBondContact OD1-OG 2.94Å; N163-S185 PolarHBondContact N-O 2.99Å; S185-S187 PolarHBondContact O-N 3.05Å; S185-S187 VanDerWaalsContact O-N 3.11Å; S185-S187 PolarHBondContact O-OG 2.75Å; S185-S187 VanDerWaalsContact O-OG 3.07Å; S185-P209 CarbonylContact C-O 3.56Å; S185-P209 WeakPolarHBondContact CA-O 3.44Å
186	N	98.1	Very high	95.2	Very high	82 Å²	82	50.6 Å²	50.6	44%	0.439	24%	0.237	S	C	.	.	S	Bend	trans	51.7	37.1	174.5	-58.4	-39.4	0	0	0	113.9	N163 P209 G210	N163-N186 WeakPolarHBondContact CA-O 3.35Å; N163-N186 VanDerWaalsContact OD1-CB 3.26Å; N163-N186 WeakPolarHBondContact OD1-CB 3.29Å; N163-N186 PolarHBondContact OD1-ND2 3.37Å; N186-P209 PolarHBondContact N-O 3.05Å; N186-G210 CarbonylContact C-O 3.54Å; N186-G210 WeakPolarHBondContact CA-O 3.22Å; N186-G210 PolarHBondContact N-O 3.31Å
187	S	97.5	Very high	96.1	Very high	9 Å²	9	43 Å²	43	6%	0.063	20%	0.201	C	C	.	.	S	Bend	trans	-106.1	-152.7	-178.8	-57.5	0	0	0	0	110.7	T164 S185 G210 N211	T164-S187 PolarHBondContact N-OG 2.67Å; T164-S187 VanDerWaalsContact O-CA 3.29Å; T164-S187 WeakPolarHBondContact O-CA 3.42Å; T164-S187 WeakPolarHBondContact OG1-CB 3.39Å; T164-S187 PolarHBondContact OG1-OG 2.79Å; S185-S187 PolarHBondContact O-N 3.05Å; S185-S187 VanDerWaalsContact O-N 3.11Å; S185-S187 PolarHBondContact O-OG 2.75Å; S185-S187 VanDerWaalsContact O-OG 3.07Å; S187-G210 PolarHBondContact N-O 2.85Å; S187-N211 VanDerWaalsContact C-OD1 3.29Å; S187-N211 WeakPolarHBondContact CA-OD1 3.49Å; S187-N211 VanDerWaalsContact CB-OD1 3.26Å; S187-N211 WeakPolarHBondContact CB-OD1 3.48Å; S187-N211 PolarHBondContact N-OD1 3.06Å
188	R	97.5	Very high	96.6	Very high	130 Å²	130	44.3 Å²	44.3	49%	0.491	21%	0.21	S	C	.	.			trans	-121.2	19.7	179.7	-62.8	-176.7	179.1	-179.5	1.6	112.5	I166 A167 N190	I166-R188 CarbonylContact O-C 3.5Å; I166-R188 VanDerWaalsContact O-CA 3.32Å; I166-R188 WeakPolarHBondContact O-CA 3.35Å; I166-R188 PolarHBondContact O-N 2.83Å; A167-R188 WeakPolarHBondContact CA-O 3.27Å; A167-R188 HydrophobicContact CB-CB 4.44Å; R188-N190 PolarHBondContact O-N 2.95Å
189	I	98.3	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.			trans	-57.7	115.1	-173.3	-58.4	-65	0	0	0	109.4	I166 A167 I169 I184 I192 N211 N212 L213	I166-I189 HydrophobicContact CB-CD1 4.14Å; I166-I189 HydrophobicContact CG2-CD1 3.56Å; I166-I189 WeakPolarHBondContact O-CD1 3.04Å; I166-I189 PolarHBondContact O-N 2.71Å; I166-I189 VanDerWaalsContact O-N 3.16Å; A167-I189 WeakPolarHBondContact O-CA 3.4Å; I169-I189 HydrophobicContact CG1-CD1 4.05Å; I169-I189 HydrophobicContact CG1-CG2 4.42Å; I184-I189 HydrophobicContact CG2-CD1 4.48Å; I184-I189 HydrophobicContact CG2-CG1 3.98Å; I189-I192 HydrophobicContact CG2-CG1 4.06Å; I189-N211 HydrophobicContact CB-CB 3.96Å; I189-N211 WeakPolarHBondContact CB-OD1 3.38Å; I189-N211 WeakPolarHBondContact CG1-OD1 3.27Å; I189-N211 PolarHBondContact N-OD1 3.37Å; I189-N212 CarbonylContact O-C 3.43Å; I189-N212 WeakPolarHBondContact O-CA 3.2Å; I189-N212 PolarHBondContact O-N 3.24Å; I189-L213 HydrophobicContact CG2-CD2 4.13Å; I189-L213 PolarHBondContact O-N 2.86Å
190	N	97.7	Very high	96.3	Very high	95 Å²	95	46.1 Å²	46.1	51%	0.508	22%	0.22	S	C	.	.			trans	-124	-11.5	173.8	61.1	18.4	0	0	0	112.1	A167 R188 N212	A167-N190 PolarHBondContact O-N 2.86Å; A167-N190 PolarHBondContact O-OD1 3.42Å; A167-N190 VanDerWaalsContact O-OD1 3.08Å; R188-N190 PolarHBondContact O-N 2.95Å; N190-N212 HydrophobicContact CB-CB 4.06Å
191	D	96.7	Very high	96.1	Very high	65 Å²	65	46.4 Å²	46.4	35%	0.348	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.9	179	-178.5	41.3	0	0	0	110.6	A167 R168 I169	A167-D191 PolarHBondContact O-N 2.88Å; R168-D191 VanDerWaalsContact CA-O 3.25Å; R168-D191 WeakPolarHBondContact CA-O 3.49Å; R168-D191 HydrophobicContact CB-CB 4.35Å; R168-D191 WeakPolarHBondContact CD-OD2 3.46Å; R168-D191 HydrophobicContact CG-CB 4.14Å; R168-D191 WeakPolarHBondContact CG-OD2 3.45Å; R168-D191 IonicContact CZ-OD2 3.77Å; R168-D191 IonicContact NE-OD2 2.99Å; R168-D191 PolarHBondContact NE-OD2 2.87Å; R168-D191 IonicContact NH1-OD2 3.8Å; I169-D191 PolarHBondContact N-O 2.87Å; I169-D191 VanDerWaalsContact N-O 3.13Å
192	I	97.3	Very high	95.9	Very high	13 Å²	13	50.1 Å²	50.1	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	116.2	172	-53.3	-179.9	0	0	0	105.3	I169 I189 R194 A196 L208 L213 P217 A220	I169-I192 HydrophobicContact CB-CG2 4.15Å; I169-I192 HydrophobicContact CD1-CD1 4.28Å; I169-I192 HydrophobicContact CD1-CG1 4.17Å; I169-I192 HydrophobicContact CD1-CG2 4.2Å; I169-I192 HydrophobicContact CG1-CG1 4.34Å; I169-I192 HydrophobicContact CG1-CG2 4.47Å; I189-I192 HydrophobicContact CG2-CG1 4.06Å; I192-R194 PolarHBondContact O-N 2.75Å; I192-A196 HydrophobicContact CG2-CB 3.93Å; I192-L208 HydrophobicContact CD1-CD1 3.58Å; I192-L213 HydrophobicContact CD1-CD2 4.33Å; I192-L213 HydrophobicContact CG1-CD2 4.37Å; I192-P217 HydrophobicContact CD1-CB 4.16Å; I192-P217 HydrophobicContact CD1-CG 3.9Å; I192-A220 HydrophobicContact CB-CB 3.84Å; I192-A220 HydrophobicContact CG2-CB 3.54Å
193	D	96.4	Very high	95.9	Very high	24 Å²	24	50.1 Å²	50.1	13%	0.128	24%	0.242	C	C	.	.			trans	-58	140.8	178.1	-170.1	-71.6	0	0	0	110.5	R168 I169 H171 D195 A196	R168-D193 IonicContact CZ-OD2 3.64Å; R168-D193 IonicContact NH2-OD2 2.69Å; R168-D193 PolarHBondContact NH2-OD2 2.79Å; I169-D193 WeakPolarHBondContact O-CB 3.48Å; I169-D193 PolarHBondContact O-N 2.94Å; H171-D193 HydrophobicContact CB-CB 4.46Å; D193-D195 PolarHBondContact O-N 2.94Å; D193-D195 PolarHBondContact OD1-N 2.99Å; D193-A196 HydrophobicContact CB-CB 4.04Å; D193-A196 WeakPolarHBondContact O-CB 3.38Å; D193-A196 PolarHBondContact O-N 2.86Å
194	R	94.6	Very high	95.9	Very high	167 Å²	167	48.7 Å²	48.7	63%	0.63	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-30	-178.3	72.5	-173.4	-62.9	-106.6	2.8	113.3	I192	I192-R194 PolarHBondContact O-N 2.75Å
195	D	93	Very high	95.9	Very high	73 Å²	73	51 Å²	51	39%	0.39	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	10.9	-179	-60.9	-43.5	0	0	0	112.4	D193 L197 V198	D193-D195 PolarHBondContact O-N 2.94Å; D193-D195 PolarHBondContact OD1-N 2.99Å; D195-L197 VanDerWaalsContact C-N 3.3Å; D195-L197 PolarHBondContact O-N 3.05Å; D195-V198 HydrophobicContact CB-CG2 3.92Å; D195-V198 PolarHBondContact O-N 2.98Å
196	A	94.2	Very high	95.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-36.7	179.7	0	0	0	0	0	113.3	I169 I192 D193	I169-A196 HydrophobicContact CB-CB 4.2Å; I169-A196 HydrophobicContact CG2-CB 3.78Å; I192-A196 HydrophobicContact CG2-CB 3.93Å; D193-A196 HydrophobicContact CB-CB 4.04Å; D193-A196 WeakPolarHBondContact O-CB 3.38Å; D193-A196 PolarHBondContact O-N 2.86Å
197	L	94.6	Very high	95.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	16.8	-174.3	-55.2	-179.8	0	0	0	112.9	L174 L182 D195 L200 L206 L221 V224	L174-L197 HydrophobicContact CD1-CD2 4.25Å; L182-L197 HydrophobicContact CD2-CD2 4.01Å; D195-L197 VanDerWaalsContact C-N 3.3Å; D195-L197 PolarHBondContact O-N 3.05Å; L197-L200 HydrophobicContact CB-CD1 4.26Å; L197-L200 HydrophobicContact CD2-CD1 4.02Å; L197-L206 HydrophobicContact CD1-CD2 4.02Å; L197-L221 HydrophobicContact CD1-CD2 3.94Å; L197-V224 HydrophobicContact CB-CG1 3.94Å; L197-V224 HydrophobicContact CB-CG2 4.49Å; L197-V224 HydrophobicContact CD1-CG2 4.03Å; L197-V224 WeakPolarHBondContact O-CG1 3.11Å
198	V	93.2	Very high	96	Very high	39 Å²	39	48.3 Å²	48.3	24%	0.236	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	144.6	177.6	166.9	0	0	0	0	111.1	D195 L200 P223	D195-V198 HydrophobicContact CB-CG2 3.92Å; D195-V198 PolarHBondContact O-N 2.98Å; V198-L200 VanDerWaalsContact C-N 3.32Å; V198-L200 PolarHBondContact O-N 3.02Å; V198-P223 HydrophobicContact CG2-CB 4.29Å; V198-P223 HydrophobicContact CG2-CG 3.8Å
199	N	90.2	Very high	96.1	Very high	97 Å²	97	42.5 Å²	42.5	52%	0.519	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	39.1	178.8	-61.7	-24.8	0	0	0	113.9	P201	N199-P201 VanDerWaalsContact O-CD 3.25Å; N199-P201 WeakPolarHBondContact O-CD 3.3Å
200	L	94.4	Very high	96.1	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.222	C	C	.	.			trans	-113.7	61.9	171.3	-65.1	-178.3	0	0	0	111.6	L174 K177 L179 L197 V198 F202 L203 V224	L174-L200 HydrophobicContact CB-CD1 4.15Å; L174-L200 VanDerWaalsContact O-CD2 3.23Å; L174-L200 WeakPolarHBondContact O-CD2 3.36Å; K177-L200 HydrophobicContact CB-CD2 3.99Å; L179-L200 HydrophobicContact CB-CD2 4.04Å; L197-L200 HydrophobicContact CB-CD1 4.26Å; L197-L200 HydrophobicContact CD2-CD1 4.02Å; V198-L200 VanDerWaalsContact C-N 3.32Å; V198-L200 PolarHBondContact O-N 3.02Å; L200-F202 PolarHBondContact O-N 2.88Å; L200-F202 VanDerWaalsContact O-N 3.07Å; L200-L203 HydrophobicContact CB-CB 4.07Å; L200-L203 HydrophobicContact CD1-CD2 4.27Å; L200-L203 PolarHBondContact O-N 2.84Å; L200-L203 VanDerWaalsContact O-N 3.13Å; L200-V224 HydrophobicContact CB-CG1 4.05Å
201	P	92	Very high	96.1	Very high	80 Å²	80	39 Å²	39	52%	0.519	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.6	-171.2	29.3	-36.9	0	0	0	114.3	N199 S227	N199-P201 VanDerWaalsContact O-CD 3.25Å; N199-P201 WeakPolarHBondContact O-CD 3.3Å; P201-S227 VanDerWaalsContact O-CB 3.28Å; P201-S227 WeakPolarHBondContact O-CB 3.5Å
202	F	95.1	Very high	96.2	Very high	106 Å²	106	38.6 Å²	38.6	47%	0.465	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	6.1	-179.6	-57.8	-67.5	0	0	0	113.2	I178 L179 E180 L200 F204	I178-F202 HydrophobicContact CG2-CD2 4.36Å; L179-F202 CarbonylContact O-C 3.55Å; L179-F202 VanDerWaalsContact O-C 3.26Å; E180-F202 WeakPolarHBondContact CA-O 3.47Å; L200-F202 PolarHBondContact O-N 2.88Å; L200-F202 VanDerWaalsContact O-N 3.07Å; F202-F204 HydrophobicContact CB-CZ 4.32Å; F202-F204 HydrophobicContact CD1-CZ 4.32Å; F202-F204 WeakPolarHBondContact O-CD1 3.37Å; F202-F204 WeakPolarHBondContact O-CD2 3.34Å; F202-F204 WeakPolarHBondContact O-CE1 3.16Å; F202-F204 VanDerWaalsContact O-CG 3.3Å; F202-F204 WeakPolarHBondContact O-CG 3.33Å; F202-F204 PolarHBondContact O-N 2.64Å
203	L	97.4	Very high	96.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.			trans	-68.3	111.5	177.2	-168.5	71.9	0	0	0	109.4	L179 L182 L200 L206 V224 S227 L228	L179-L203 HydrophobicContact CD2-CD1 4.18Å; L179-L203 HydrophobicContact CG-CD1 4.21Å; L179-L203 WeakPolarHBondContact O-CA 3.27Å; L179-L203 PolarHBondContact O-N 3.45Å; L179-L203 VanDerWaalsContact O-N 3.13Å; L182-L203 HydrophobicContact CB-CD1 3.99Å; L200-L203 HydrophobicContact CB-CB 4.07Å; L200-L203 HydrophobicContact CD1-CD2 4.27Å; L200-L203 PolarHBondContact O-N 2.84Å; L200-L203 VanDerWaalsContact O-N 3.13Å; L203-L206 HydrophobicContact CD2-CB 4.49Å; L203-V224 HydrophobicContact CB-CG1 4.26Å; L203-V224 HydrophobicContact CD2-CB 4.32Å; L203-V224 HydrophobicContact CD2-CG1 3.94Å; L203-V224 HydrophobicContact CD2-CG2 4.44Å; L203-S227 CarbonylContact O-C 3.54Å; L203-S227 WeakPolarHBondContact O-CB 3.33Å; L203-S227 PolarHBondContact O-OG 3.46Å; L203-L228 HydrophobicContact CD2-CD1 4.25Å; L203-L228 HydrophobicContact CG-CD1 4.16Å
204	F	98.5	Very high	96.2	Very high	36 Å²	36	41.3 Å²	41.3	16%	0.158	22%	0.215	C	C	.	.			trans	-105.1	-30.7	-178.8	-58.4	-37.7	0	0	0	111.7	E180 F202 S227 R229 S230	E180-F204 HydrophobicContact CB-CD2 4.28Å; E180-F204 HydrophobicContact CG-CD2 4.24Å; E180-F204 HydrophobicContact CG-CE2 4.23Å; E180-F204 PolarHBondContact O-N 3.19Å; F202-F204 HydrophobicContact CB-CZ 4.32Å; F202-F204 HydrophobicContact CD1-CZ 4.32Å; F202-F204 WeakPolarHBondContact O-CD1 3.37Å; F202-F204 WeakPolarHBondContact O-CD2 3.34Å; F202-F204 WeakPolarHBondContact O-CE1 3.16Å; F202-F204 VanDerWaalsContact O-CG 3.3Å; F202-F204 WeakPolarHBondContact O-CG 3.33Å; F202-F204 PolarHBondContact O-N 2.64Å; F204-S227 WeakPolarHBondContact CD1-O 3.38Å; F204-R229 HydrophobicContact CB-CB 4.45Å; F204-R229 HydrophobicContact CB-CG 4.24Å; F204-R229 HydrophobicContact CD1-CG 4.33Å; F204-R229 WeakPolarHBondContact O-CA 3.44Å; F204-R229 PolarHBondContact O-N 2.89Å; F204-S230 PolarHBondContact O-N 3.04Å
205	N	98.8	Very high	96.3	Very high	47 Å²	47	36.1 Å²	36.1	25%	0.251	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.7	-174.6	-67.5	61.4	0	0	0	109.6	E180 T181 L182	E180-N205 PolarHBondContact O-N 3.28Å; T181-N205 WeakPolarHBondContact CA-O 3.31Å; T181-N205 HydrophobicContact CG2-CB 3.98Å; L182-N205 PolarHBondContact N-O 3.24Å
206	L	98.6	Very high	96.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.5	171	177.6	61.1	0	0	0	108.9	L182 L197 L203 L208 L221 L228 S230 L231 D232	L182-L206 HydrophobicContact CB-CD1 4.04Å; L182-L206 HydrophobicContact CD2-CD1 3.74Å; L182-L206 HydrophobicContact CG-CD1 4.02Å; L182-L206 WeakPolarHBondContact O-CA 3.34Å; L197-L206 HydrophobicContact CD1-CD2 4.02Å; L203-L206 HydrophobicContact CD2-CB 4.49Å; L206-L208 HydrophobicContact CD1-CD1 4.35Å; L206-L208 HydrophobicContact CD1-CD2 4.17Å; L206-L208 HydrophobicContact CD1-CG 4.1Å; L206-L208 HydrophobicContact CD2-CD1 4.49Å; L206-L208 HydrophobicContact CG-CD1 4.41Å; L206-L208 HydrophobicContact CG-CG 4.3Å; L206-L221 HydrophobicContact CD2-CD2 3.36Å; L206-L228 HydrophobicContact CB-CD1 3.85Å; L206-L228 HydrophobicContact CB-CD2 4.3Å; L206-S230 PolarHBondContact N-O 2.93Å; L206-L231 HydrophobicContact CB-CD1 3.98Å; L206-L231 HydrophobicContact CD2-CD1 3.95Å; L206-L231 HydrophobicContact CG-CD1 4.01Å; L206-L231 WeakPolarHBondContact O-CA 3.22Å; L206-D232 PolarHBondContact O-N 3.02Å
207	E	98.8	Very high	96.5	Very high	38 Å²	38	34.8 Å²	34.8	18%	0.178	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	110.8	-174.5	-60.5	176.2	-161.9	0	0	109.5	L182 R183 I184 P209 D232	L182-E207 PolarHBondContact O-N 2.83Å; R183-E207 CarbonylContact C-O 3.09Å; R183-E207 VanDerWaalsContact CA-O 3.24Å; R183-E207 WeakPolarHBondContact CA-O 3.45Å; R183-E207 HydrophobicContact CB-CB 4Å; R183-E207 VanDerWaalsContact CD-OE2 3.27Å; R183-E207 WeakPolarHBondContact CD-OE2 3.5Å; R183-E207 HydrophobicContact CG-CB 3.83Å; R183-E207 IonicContact CZ-OE2 3.84Å; R183-E207 IonicContact NE-OE2 3.39Å; R183-E207 IonicContact NH1-OE2 3.76Å; R183-E207 PolarHBondContact NH1-OE2 2.75Å; I184-E207 PolarHBondContact N-O 2.95Å; E207-P209 WeakPolarHBondContact O-CD 3.23Å; E207-D232 CarbonylContact C-O 3.26Å; E207-D232 WeakPolarHBondContact CA-O 3.32Å; E207-D232 HydrophobicContact CB-CB 4.17Å; E207-D232 HydrophobicContact CG-CB 4.01Å
208	L	98.6	Very high	96.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.			trans	-119.6	43.1	179.2	-57.5	176	0	0	0	112.6	I169 I184 I192 L206 N211 L213 D232 M233 N236	I169-L208 HydrophobicContact CD1-CD2 4.27Å; I184-L208 HydrophobicContact CB-CD2 3.86Å; I184-L208 HydrophobicContact CD1-CD2 3.89Å; I184-L208 HydrophobicContact CG1-CD2 4.12Å; I184-L208 CarbonylContact O-C 3.45Å; I184-L208 WeakPolarHBondContact O-CA 3.44Å; I192-L208 HydrophobicContact CD1-CD1 3.58Å; L206-L208 HydrophobicContact CD1-CD1 4.35Å; L206-L208 HydrophobicContact CD1-CD2 4.17Å; L206-L208 HydrophobicContact CD1-CG 4.1Å; L206-L208 HydrophobicContact CD2-CD1 4.49Å; L206-L208 HydrophobicContact CG-CD1 4.41Å; L206-L208 HydrophobicContact CG-CG 4.3Å; L208-N211 PolarHBondContact O-ND2 3.26Å; L208-L213 HydrophobicContact CB-CD1 4.41Å; L208-L213 HydrophobicContact CD1-CD1 4.07Å; L208-D232 PolarHBondContact N-O 2.93Å; L208-M233 HydrophobicContact CD1-CE 4.44Å; L208-N236 PolarHBondContact O-ND2 3.38Å
209	P	98.7	Very high	96.6	Very high	9 Å²	9	42.6 Å²	42.6	6%	0.058	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	144.1	-173.3	31.9	-36	0	0	0	112.7	S185 N186 E207 S234	S185-P209 CarbonylContact C-O 3.56Å; S185-P209 WeakPolarHBondContact CA-O 3.44Å; N186-P209 PolarHBondContact N-O 3.05Å; E207-P209 WeakPolarHBondContact O-CD 3.23Å; P209-S234 CarbonylContact C-O 3.49Å; P209-S234 WeakPolarHBondContact CA-O 3.22Å; P209-S234 WeakPolarHBondContact CB-OG 3.44Å
210	G	98.5	Very high	96.9	Very high	18 Å²	18	38.1 Å²	38.1	19%	0.186	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	36	176.5	0	0	0	0	0	113.3	N186 S187 S234 N235	N186-G210 CarbonylContact C-O 3.54Å; N186-G210 WeakPolarHBondContact CA-O 3.22Å; N186-G210 PolarHBondContact N-O 3.31Å; S187-G210 PolarHBondContact N-O 2.85Å; G210-S234 PolarHBondContact N-O 3.27Å; G210-N235 VanDerWaalsContact CA-O 3.22Å; G210-N235 WeakPolarHBondContact CA-O 3.31Å; G210-N235 PolarHBondContact N-O 2.67Å
211	N	98.7	Very high	97	Very high	3 Å²	3	38 Å²	38	2%	0.016	21%	0.21	C	C	.	.	S	Bend	trans	-109.1	-167.6	175.1	-74.8	-70.4	0	0	0	111	I184 S187 I189 L208 N236	I184-N211 PolarHBondContact O-ND2 2.8Å; S187-N211 VanDerWaalsContact C-OD1 3.29Å; S187-N211 WeakPolarHBondContact CA-OD1 3.49Å; S187-N211 VanDerWaalsContact CB-OD1 3.26Å; S187-N211 WeakPolarHBondContact CB-OD1 3.48Å; S187-N211 PolarHBondContact N-OD1 3.06Å; I189-N211 HydrophobicContact CB-CB 3.96Å; I189-N211 WeakPolarHBondContact CB-OD1 3.38Å; I189-N211 WeakPolarHBondContact CG1-OD1 3.27Å; I189-N211 PolarHBondContact N-OD1 3.37Å; L208-N211 PolarHBondContact O-ND2 3.26Å; N211-N236 WeakPolarHBondContact CA-OD1 3.47Å; N211-N236 WeakPolarHBondContact CB-OD1 3.45Å; N211-N236 PolarHBondContact O-OD1 3.32Å
212	N	98.4	Very high	97.1	Very high	56 Å²	56	38 Å²	38	30%	0.299	21%	0.205	S	C	.	.			trans	-114.8	30.8	-174.9	-68.1	-13.9	0	0	0	112.3	I189 N190 T214 N236 Q237	I189-N212 CarbonylContact O-C 3.43Å; I189-N212 WeakPolarHBondContact O-CA 3.2Å; I189-N212 PolarHBondContact O-N 3.24Å; N190-N212 HydrophobicContact CB-CB 4.06Å; N212-T214 PolarHBondContact O-N 2.89Å; N212-N236 PolarHBondContact N-OD1 2.93Å; N212-Q237 PolarHBondContact OD1-NE2 2.92Å
213	L	98.2	Very high	97.1	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	20%	0.198	C	C	.	.			trans	-68.3	121.1	176.5	-63.2	172.2	0	0	0	109.7	I189 I192 L208 M233 N236 Q237 M238	I189-L213 HydrophobicContact CG2-CD2 4.13Å; I189-L213 PolarHBondContact O-N 2.86Å; I192-L213 HydrophobicContact CD1-CD2 4.33Å; I192-L213 HydrophobicContact CG1-CD2 4.37Å; L208-L213 HydrophobicContact CB-CD1 4.41Å; L208-L213 HydrophobicContact CD1-CD1 4.07Å; L213-M233 HydrophobicContact CD1-SD 4.3Å; L213-N236 HydrophobicContact CB-CB 4.12Å; L213-N236 WeakPolarHBondContact CB-OD1 3.39Å; L213-N236 WeakPolarHBondContact CG-OD1 3.44Å; L213-N236 PolarHBondContact N-OD1 3.22Å; L213-Q237 CarbonylContact O-C 3.45Å; L213-Q237 WeakPolarHBondContact O-CA 3.47Å; L213-Q237 PolarHBondContact O-N 3.29Å; L213-M238 PolarHBondContact O-N 3.01Å
214	T	96.7	Very high	97	Very high	90 Å²	90	35.4 Å²	35.4	55%	0.552	20%	0.198	S	C	*	.			trans	-94.5	-12.4	179.7	57.5	0	0	0	0	113.5	N212 Q237	N212-T214 PolarHBondContact O-N 2.89Å; T214-Q237 HydrophobicContact CG2-CB 4.26Å
215	A	95.4	Very high	96.8	Very high	58 Å²	58	34 Å²	34	48%	0.479	19%	0.193	S	C	.	.	S	Bend	trans	-149	160.2	178.4	0	0	0	0	0	110.4	P217	A215-P217 WeakPolarHBondContact O-CD 3.46Å
216	F	95.7	Very high	96.7	Very high	22 Å²	22	35.5 Å²	35.5	10%	0.096	21%	0.205	C	C	.	.			trans	-67.9	120.7	175	-176	-98.3	0	0	0	110.4	R218 L221 L231 M233 M238 L241 S245 F246 F249	F216-R218 HydrophobicContact CD1-CB 3.93Å; F216-R218 HydrophobicContact CE1-CB 4.1Å; F216-R218 HydrophobicContact CE1-CG 4.45Å; F216-R218 PolarHBondContact O-N 3.05Å; F216-L221 HydrophobicContact CE1-CD1 3.87Å; F216-L221 HydrophobicContact CE2-CD1 3.91Å; F216-L221 HydrophobicContact CZ-CD1 3.44Å; F216-L221 VanDerWaalsContact CZ-CD1 3.44Å; F216-L231 HydrophobicContact CE2-CD2 3.88Å; F216-L231 HydrophobicContact CZ-CD2 4.32Å; F216-M233 HydrophobicContact CD2-SD 4.04Å; F216-M233 HydrophobicContact CE2-CE 4.35Å; F216-M233 HydrophobicContact CE2-SD 4.18Å; F216-M238 HydrophobicContact CB-SD 4.39Å; F216-L241 HydrophobicContact CB-CD2 4.15Å; F216-L241 HydrophobicContact CD2-CD2 4.42Å; F216-S245 WeakPolarHBondContact CE1-O 3.4Å; F216-F246 HydrophobicContact CD2-CE1 4.34Å; F216-F246 HydrophobicContact CD2-CZ 4.21Å; F216-F246 HydrophobicContact CE2-CD1 4.23Å; F216-F246 AromaticContact CE2-CE1 3.42Å; F216-F246 HydrophobicContact CE2-CE1 3.42Å; F216-F246 VanDerWaalsContact CE2-CE1 3.42Å; F216-F246 AromaticContact CE2-CZ 3.73Å; F216-F246 HydrophobicContact CE2-CZ 3.73Å; F216-F246 AromaticContact CZ-CD1 3.92Å; F216-F246 HydrophobicContact CZ-CD1 3.92Å; F216-F246 AromaticContact CZ-CE1 3.59Å; F216-F246 HydrophobicContact CZ-CE1 3.59Å; F216-F246 HydrophobicContact CZ-CZ 4.19Å; F216-F249 HydrophobicContact CE1-CE2 4.37Å; F216-F249 HydrophobicContact CZ-CE2 4.08Å; F216-F249 AromaticContact CZ-CZ 3.96Å; F216-F249 HydrophobicContact CZ-CZ 3.96Å
217	P	96	Very high	96.6	Very high	23 Å²	23	35.9 Å²	35.9	15%	0.149	21%	0.207	C	C	.	.			trans	-83.4	59.6	-170.2	34.4	-36.3	0	0	0	112.2	I192 A215 D219 A220 L221 M233	I192-P217 HydrophobicContact CD1-CB 4.16Å; I192-P217 HydrophobicContact CD1-CG 3.9Å; A215-P217 WeakPolarHBondContact O-CD 3.46Å; P217-D219 PolarHBondContact O-N 3.13Å; P217-A220 PolarHBondContact O-N 3.38Å; P217-L221 HydrophobicContact CG-CD1 4.1Å; P217-L221 HydrophobicContact CG-CG 4.31Å; P217-L221 WeakPolarHBondContact O-CG 3.49Å; P217-L221 PolarHBondContact O-N 3.02Å; P217-M233 HydrophobicContact CG-CE 3.66Å; P217-M233 HydrophobicContact CG-SD 4.49Å
218	R	95.3	Very high	96.5	Very high	96 Å²	96	34 Å²	34	36%	0.362	20%	0.199	S	C	.	.	H	α-helix	trans	-52	-49.1	-171.8	-172.2	179.6	174.1	-76.4	-5.8	113.3	F216 A220 L221 L222 M225	F216-R218 HydrophobicContact CD1-CB 3.93Å; F216-R218 HydrophobicContact CE1-CB 4.1Å; F216-R218 HydrophobicContact CE1-CG 4.45Å; F216-R218 PolarHBondContact O-N 3.05Å; R218-A220 VanDerWaalsContact C-N 3.31Å; R218-A220 PolarHBondContact O-N 3.16Å; R218-L221 PolarHBondContact O-N 2.96Å; R218-L221 VanDerWaalsContact O-N 3.09Å; R218-L222 PolarHBondContact O-N 2.92Å; R218-L222 VanDerWaalsContact O-N 3.16Å; R218-M225 HydrophobicContact CG-CE 3.77Å; R218-M225 VanDerWaalsContact O-CE 3.31Å; R218-M225 WeakPolarHBondContact O-CE 3.21Å
219	D	94.8	Very high	96.5	Very high	106 Å²	106	39.2 Å²	39.2	57%	0.567	22%	0.218	S	C	*	.	H	α-helix	trans	-63.6	-36.4	-174.7	-72.5	-13.8	0	0	0	112.7	P217 L221	P217-D219 PolarHBondContact O-N 3.13Å; D219-L221 VanDerWaalsContact C-N 3.32Å
220	A	95.6	Very high	96.6	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.033	22%	0.22	C	C	.	.	H	α-helix	trans	-74.6	-22.9	176.5	0	0	0	0	0	113.2	I192 P217 R218 P223	I192-A220 HydrophobicContact CB-CB 3.84Å; I192-A220 HydrophobicContact CG2-CB 3.54Å; P217-A220 PolarHBondContact O-N 3.38Å; R218-A220 VanDerWaalsContact C-N 3.31Å; R218-A220 PolarHBondContact O-N 3.16Å; A220-P223 WeakPolarHBondContact O-CD 3.43Å
221	L	96.5	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-86.4	-16.4	178.4	-64.2	173.6	0	0	0	113.3	L197 L206 F216 P217 R218 D219 P223 V224 M225 M233 F249	L197-L221 HydrophobicContact CD1-CD2 3.94Å; L206-L221 HydrophobicContact CD2-CD2 3.36Å; F216-L221 HydrophobicContact CE1-CD1 3.87Å; F216-L221 HydrophobicContact CE2-CD1 3.91Å; F216-L221 HydrophobicContact CZ-CD1 3.44Å; F216-L221 VanDerWaalsContact CZ-CD1 3.44Å; P217-L221 HydrophobicContact CG-CD1 4.1Å; P217-L221 HydrophobicContact CG-CG 4.31Å; P217-L221 WeakPolarHBondContact O-CG 3.49Å; P217-L221 PolarHBondContact O-N 3.02Å; R218-L221 PolarHBondContact O-N 2.96Å; R218-L221 VanDerWaalsContact O-N 3.09Å; D219-L221 VanDerWaalsContact C-N 3.32Å; L221-P223 VanDerWaalsContact C-N 3.28Å; L221-P223 VanDerWaalsContact O-N 3.11Å; L221-V224 HydrophobicContact CD2-CG2 4.3Å; L221-V224 VanDerWaalsContact O-CG2 3.28Å; L221-V224 WeakPolarHBondContact O-CG2 3.12Å; L221-V224 PolarHBondContact O-N 3.4Å; L221-M225 HydrophobicContact CB-CE 4.17Å; L221-M225 WeakPolarHBondContact O-CG 3.28Å; L221-M225 PolarHBondContact O-N 2.77Å; L221-M225 VanDerWaalsContact O-N 3.1Å; L221-M233 HydrophobicContact CD1-CE 3.77Å; L221-M233 HydrophobicContact CD2-CE 4.46Å; L221-F249 HydrophobicContact CB-CZ 3.95Å; L221-F249 HydrophobicContact CD1-CZ 3.96Å
222	L	95.2	Very high	96.6	Very high	80 Å²	80	39.4 Å²	39.4	42%	0.419	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-44.3	-178.7	-76.9	170.3	0	0	0	113.8	R218 V224 M225	R218-L222 PolarHBondContact O-N 2.92Å; R218-L222 VanDerWaalsContact O-N 3.16Å; L222-V224 VanDerWaalsContact C-N 3.27Å; L222-V224 PolarHBondContact O-N 2.82Å; L222-M225 HydrophobicContact CB-CE 4.43Å; L222-M225 HydrophobicContact CD2-CE 3.63Å; L222-M225 HydrophobicContact CD2-SD 3.9Å; L222-M225 HydrophobicContact CG-CE 3.95Å
223	P	94.1	Very high	96.6	Very high	51 Å²	51	36.8 Å²	36.8	33%	0.331	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.2	-178.4	-21.6	34.8	0	0	0	114.8	V198 A220 L221	V198-P223 HydrophobicContact CG2-CB 4.29Å; V198-P223 HydrophobicContact CG2-CG 3.8Å; A220-P223 WeakPolarHBondContact O-CD 3.43Å; L221-P223 VanDerWaalsContact C-N 3.28Å; L221-P223 VanDerWaalsContact O-N 3.11Å
224	V	95.3	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-6.8	-172.3	-63	0	0	0	0	114	L197 L200 L203 L221 L222 P226 S227 L228	L197-V224 HydrophobicContact CB-CG1 3.94Å; L197-V224 HydrophobicContact CB-CG2 4.49Å; L197-V224 HydrophobicContact CD1-CG2 4.03Å; L197-V224 WeakPolarHBondContact O-CG1 3.11Å; L200-V224 HydrophobicContact CB-CG1 4.05Å; L203-V224 HydrophobicContact CB-CG1 4.26Å; L203-V224 HydrophobicContact CD2-CB 4.32Å; L203-V224 HydrophobicContact CD2-CG1 3.94Å; L203-V224 HydrophobicContact CD2-CG2 4.44Å; L221-V224 HydrophobicContact CD2-CG2 4.3Å; L221-V224 VanDerWaalsContact O-CG2 3.28Å; L221-V224 WeakPolarHBondContact O-CG2 3.12Å; L221-V224 PolarHBondContact O-N 3.4Å; L222-V224 VanDerWaalsContact C-N 3.27Å; L222-V224 PolarHBondContact O-N 2.82Å; V224-P226 VanDerWaalsContact C-N 3.28Å; V224-S227 PolarHBondContact O-N 2.98Å; V224-S227 PolarHBondContact O-OG 3.1Å; V224-S227 VanDerWaalsContact O-OG 3.1Å; V224-L228 WeakPolarHBondContact O-CB 3.29Å; V224-L228 PolarHBondContact O-N 3.47Å
225	M	95.7	Very high	96.7	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.039	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-41.5	176.7	-51.1	-174.2	171	0	0	113.5	R218 L221 L222 S227 H247 G248 F249	R218-M225 HydrophobicContact CG-CE 3.77Å; R218-M225 VanDerWaalsContact O-CE 3.31Å; R218-M225 WeakPolarHBondContact O-CE 3.21Å; L221-M225 HydrophobicContact CB-CE 4.17Å; L221-M225 WeakPolarHBondContact O-CG 3.28Å; L221-M225 PolarHBondContact O-N 2.77Å; L221-M225 VanDerWaalsContact O-N 3.1Å; L222-M225 HydrophobicContact CB-CE 4.43Å; L222-M225 HydrophobicContact CD2-CE 3.63Å; L222-M225 HydrophobicContact CD2-SD 3.9Å; L222-M225 HydrophobicContact CG-CE 3.95Å; M225-S227 VanDerWaalsContact C-N 3.31Å; M225-S227 PolarHBondContact O-N 3.45Å; M225-H247 VanDerWaalsContact SD-O 3.38Å; M225-G248 CarbonylContact C-O 3.2Å; M225-F249 HydrophobicContact CB-CD1 4.21Å; M225-F249 HydrophobicContact CB-CD2 4.1Å; M225-F249 HydrophobicContact CB-CE1 4.25Å; M225-F249 HydrophobicContact CB-CE2 4.19Å; M225-F249 HydrophobicContact CB-CG 4.16Å; M225-F249 HydrophobicContact CB-CZ 4.26Å; M225-F249 HydrophobicContact CE-CE2 3.63Å; M225-F249 HydrophobicContact CE-CZ 4.09Å; M225-F249 HydrophobicContact CG-CD1 4.43Å; M225-F249 HydrophobicContact CG-CD2 3.95Å; M225-F249 HydrophobicContact CG-CE1 4.04Å; M225-F249 HydrophobicContact CG-CE2 3.56Å; M225-F249 HydrophobicContact CG-CG 4.41Å; M225-F249 HydrophobicContact CG-CZ 3.61Å; M225-F249 HydrophobicContact SD-CD2 3.97Å; M225-F249 HydrophobicContact SD-CE2 3.62Å; M225-F249 HydrophobicContact SD-CZ 4.24Å
226	P	95.4	Very high	96.9	Very high	77 Å²	77	34.4 Å²	34.4	50%	0.5	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.3	-178.4	-20.2	34.2	0	0	0	114.9	V224 R251	V224-P226 VanDerWaalsContact C-N 3.28Å; P226-R251 VanDerWaalsContact O-CD 3.26Å; P226-R251 WeakPolarHBondContact O-CD 3.37Å
227	S	96.2	Very high	97	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.063	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-30.9	-177.4	62.2	0	0	0	0	113.1	P201 L203 F204 V224 M225	P201-S227 VanDerWaalsContact O-CB 3.28Å; P201-S227 WeakPolarHBondContact O-CB 3.5Å; L203-S227 CarbonylContact O-C 3.54Å; L203-S227 WeakPolarHBondContact O-CB 3.33Å; L203-S227 PolarHBondContact O-OG 3.46Å; F204-S227 WeakPolarHBondContact CD1-O 3.38Å; V224-S227 PolarHBondContact O-N 2.98Å; V224-S227 PolarHBondContact O-OG 3.1Å; V224-S227 VanDerWaalsContact O-OG 3.1Å; M225-S227 VanDerWaalsContact C-N 3.31Å; M225-S227 PolarHBondContact O-N 3.45Å
228	L	98.3	Very high	97	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.			trans	-61.8	137.1	-169	-148.1	72.7	0	0	0	112.8	L203 L206 V224 L231 F249 R251 L252	L203-L228 HydrophobicContact CD2-CD1 4.25Å; L203-L228 HydrophobicContact CG-CD1 4.16Å; L206-L228 HydrophobicContact CB-CD1 3.85Å; L206-L228 HydrophobicContact CB-CD2 4.3Å; V224-L228 WeakPolarHBondContact O-CB 3.29Å; V224-L228 PolarHBondContact O-N 3.47Å; L228-L231 HydrophobicContact CD2-CB 3.92Å; L228-L231 HydrophobicContact CD2-CD1 3.98Å; L228-L231 HydrophobicContact CD2-CD2 4.45Å; L228-L231 HydrophobicContact CD2-CG 4.34Å; L228-F249 HydrophobicContact CB-CD1 4.43Å; L228-F249 HydrophobicContact CD2-CD1 4.36Å; L228-F249 HydrophobicContact CD2-CE1 3.87Å; L228-R251 CarbonylContact O-C 3.26Å; L228-L252 HydrophobicContact CB-CD1 4.41Å; L228-L252 HydrophobicContact CD2-CD1 4.1Å; L228-L252 HydrophobicContact CG-CD1 4.25Å; L228-L252 WeakPolarHBondContact O-CA 3.35Å; L228-L252 PolarHBondContact O-N 2.82Å
229	R	98.8	Very high	97	Very high	108 Å²	108	37.4 Å²	37.4	41%	0.408	20%	0.197	S	C	.	.			trans	-121.5	-30.8	-178.5	-59	-178.7	-172.9	172.4	3.3	112.6	F204 K253 Q254	F204-R229 HydrophobicContact CB-CB 4.45Å; F204-R229 HydrophobicContact CB-CG 4.24Å; F204-R229 HydrophobicContact CD1-CG 4.33Å; F204-R229 WeakPolarHBondContact O-CA 3.44Å; F204-R229 PolarHBondContact O-N 2.89Å; R229-K253 PolarHBondContact O-N 3.1Å; R229-Q254 PolarHBondContact O-N 3.34Å; R229-Q254 VanDerWaalsContact O-N 3.08Å
230	S	98.9	Very high	96.8	Very high	12 Å²	12	35.7 Å²	35.7	8%	0.084	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.1	175.8	-171.1	0	0	0	0	109.9	F204 L206 Q254	F204-S230 PolarHBondContact O-N 3.04Å; L206-S230 PolarHBondContact N-O 2.93Å; S230-Q254 WeakPolarHBondContact CA-O 3.38Å
231	L	98.8	Very high	96.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	116.4	174.7	-178	61.9	0	0	0	109.7	L206 F216 L228 M233 F246 L252 Q254 L255 N256	L206-L231 HydrophobicContact CB-CD1 3.98Å; L206-L231 HydrophobicContact CD2-CD1 3.95Å; L206-L231 HydrophobicContact CG-CD1 4.01Å; L206-L231 WeakPolarHBondContact O-CA 3.22Å; F216-L231 HydrophobicContact CE2-CD2 3.88Å; F216-L231 HydrophobicContact CZ-CD2 4.32Å; L228-L231 HydrophobicContact CD2-CB 3.92Å; L228-L231 HydrophobicContact CD2-CD1 3.98Å; L228-L231 HydrophobicContact CD2-CD2 4.45Å; L228-L231 HydrophobicContact CD2-CG 4.34Å; L231-M233 HydrophobicContact CD1-CE 3.68Å; L231-M233 HydrophobicContact CD1-CG 4.09Å; L231-M233 HydrophobicContact CD2-CE 4.12Å; L231-M233 HydrophobicContact CD2-SD 4.48Å; L231-M233 HydrophobicContact CG-CE 4.28Å; L231-M233 HydrophobicContact CG-CG 4.22Å; L231-F246 HydrophobicContact CD2-CE1 4.2Å; L231-L252 HydrophobicContact CB-CD1 3.77Å; L231-L252 HydrophobicContact CB-CD2 4.44Å; L231-Q254 PolarHBondContact N-O 2.96Å; L231-L255 HydrophobicContact CB-CD1 4.17Å; L231-L255 HydrophobicContact CD2-CD1 4.07Å; L231-L255 HydrophobicContact CG-CD1 4.23Å; L231-L255 WeakPolarHBondContact O-CA 3.47Å; L231-N256 PolarHBondContact O-N 2.8Å
232	D	98.9	Very high	96.4	Very high	22 Å²	22	41.7 Å²	41.7	12%	0.118	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.3	173.5	-177.7	1.8	0	0	0	109.1	L206 E207 L208 S234 N256	L206-D232 PolarHBondContact O-N 3.02Å; E207-D232 CarbonylContact C-O 3.26Å; E207-D232 WeakPolarHBondContact CA-O 3.32Å; E207-D232 HydrophobicContact CB-CB 4.17Å; E207-D232 HydrophobicContact CG-CB 4.01Å; L208-D232 PolarHBondContact N-O 2.93Å; D232-S234 WeakPolarHBondContact OD1-CB 3.48Å; D232-S234 PolarHBondContact OD1-N 2.79Å; D232-S234 PolarHBondContact OD1-OG 2.91Å; D232-N256 HydrophobicContact CB-CB 4.26Å; D232-N256 PolarHBondContact OD1-ND2 3.3Å
233	M	98.5	Very high	96.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.			trans	-125	29.2	171.4	-62.2	-173.2	170.5	0	0	110.3	L208 L213 F216 P217 L221 L231 N236 M238 N256 L257 N260	L208-M233 HydrophobicContact CD1-CE 4.44Å; L213-M233 HydrophobicContact CD1-SD 4.3Å; F216-M233 HydrophobicContact CD2-SD 4.04Å; F216-M233 HydrophobicContact CE2-CE 4.35Å; F216-M233 HydrophobicContact CE2-SD 4.18Å; P217-M233 HydrophobicContact CG-CE 3.66Å; P217-M233 HydrophobicContact CG-SD 4.49Å; L221-M233 HydrophobicContact CD1-CE 3.77Å; L221-M233 HydrophobicContact CD2-CE 4.46Å; L231-M233 HydrophobicContact CD1-CE 3.68Å; L231-M233 HydrophobicContact CD1-CG 4.09Å; L231-M233 HydrophobicContact CD2-CE 4.12Å; L231-M233 HydrophobicContact CD2-SD 4.48Å; L231-M233 HydrophobicContact CG-CE 4.28Å; L231-M233 HydrophobicContact CG-CG 4.22Å; M233-N236 PolarHBondContact O-ND2 3.29Å; M233-M238 HydrophobicContact CB-CE 3.67Å; M233-M238 HydrophobicContact SD-CE 4.28Å; M233-M238 HydrophobicContact SD-SD 4.39Å; M233-N256 PolarHBondContact N-O 3.14Å; M233-L257 HydrophobicContact CB-CD2 4.1Å; M233-N260 PolarHBondContact O-ND2 3.05Å
234	S	98.8	Very high	96.1	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.042	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	154.9	179.8	59.5	0	0	0	0	112.9	P209 G210 D232 N236 N256 S258	P209-S234 CarbonylContact C-O 3.49Å; P209-S234 WeakPolarHBondContact CA-O 3.22Å; P209-S234 WeakPolarHBondContact CB-OG 3.44Å; G210-S234 PolarHBondContact N-O 3.27Å; D232-S234 WeakPolarHBondContact OD1-CB 3.48Å; D232-S234 PolarHBondContact OD1-N 2.79Å; D232-S234 PolarHBondContact OD1-OG 2.91Å; S234-N236 VanDerWaalsContact C-N 3.25Å; S234-N236 PolarHBondContact O-N 2.69Å; S234-N236 PolarHBondContact O-ND2 3.31Å; S234-N256 PolarHBondContact N-O 3.44Å; S234-S258 CarbonylContact C-O 3.57Å; S234-S258 WeakPolarHBondContact CA-O 3.26Å; S234-S258 VanDerWaalsContact CB-O 3.29Å; S234-S258 WeakPolarHBondContact CB-O 3.39Å; S234-S258 VanDerWaalsContact CB-OG 3.28Å; S234-S258 WeakPolarHBondContact CB-OG 3.36Å
235	N	98.7	Very high	96.1	Very high	90 Å²	90	40 Å²	40	48%	0.481	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	42.9	177.6	-53.8	-72.2	0	0	0	112.7	G210 S258	G210-N235 VanDerWaalsContact CA-O 3.22Å; G210-N235 WeakPolarHBondContact CA-O 3.31Å; G210-N235 PolarHBondContact N-O 2.67Å; N235-S258 PolarHBondContact N-O 2.68Å
236	N	98.7	Very high	96.1	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.037	21%	0.206	C	C	.	.	S	Bend	trans	-103.8	-164.6	168.6	-82.7	-85.1	0	0	0	109.3	L208 N211 N212 L213 M233 S234 M238 N260	L208-N236 PolarHBondContact O-ND2 3.38Å; N211-N236 WeakPolarHBondContact CA-OD1 3.47Å; N211-N236 WeakPolarHBondContact CB-OD1 3.45Å; N211-N236 PolarHBondContact O-OD1 3.32Å; N212-N236 PolarHBondContact N-OD1 2.93Å; L213-N236 HydrophobicContact CB-CB 4.12Å; L213-N236 WeakPolarHBondContact CB-OD1 3.39Å; L213-N236 WeakPolarHBondContact CG-OD1 3.44Å; L213-N236 PolarHBondContact N-OD1 3.22Å; M233-N236 PolarHBondContact O-ND2 3.29Å; S234-N236 VanDerWaalsContact C-N 3.25Å; S234-N236 PolarHBondContact O-N 2.69Å; S234-N236 PolarHBondContact O-ND2 3.31Å; N236-M238 HydrophobicContact CB-CE 4.42Å; N236-N260 VanDerWaalsContact CA-OD1 3.27Å; N236-N260 WeakPolarHBondContact CA-OD1 3.29Å; N236-N260 WeakPolarHBondContact CB-OD1 3.02Å; N236-N260 PolarHBondContact N-OD1 2.9Å; N236-N260 PolarHBondContact O-OD1 2.82Å
237	Q	97.8	Very high	96.1	Very high	91 Å²	91	40.3 Å²	40.3	43%	0.425	20%	0.203	S	C	.	.			trans	-117.7	26.7	-174.6	-59.7	175.4	30.8	0	0	111.5	N212 L213 T214 I239 N260	N212-Q237 PolarHBondContact OD1-NE2 2.92Å; L213-Q237 CarbonylContact O-C 3.45Å; L213-Q237 WeakPolarHBondContact O-CA 3.47Å; L213-Q237 PolarHBondContact O-N 3.29Å; T214-Q237 HydrophobicContact CG2-CB 4.26Å; Q237-I239 PolarHBondContact O-N 3.42Å; Q237-N260 PolarHBondContact N-OD1 3.38Å
238	M	96.6	Very high	96.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.			trans	-71.6	126.6	-179.2	-64	-176.7	-74.3	0	0	111.1	L213 F216 M233 N236 L257 N260 P261 L262	L213-M238 PolarHBondContact O-N 3.01Å; F216-M238 HydrophobicContact CB-SD 4.39Å; M233-M238 HydrophobicContact CB-CE 3.67Å; M233-M238 HydrophobicContact SD-CE 4.28Å; M233-M238 HydrophobicContact SD-SD 4.39Å; N236-M238 HydrophobicContact CB-CE 4.42Å; M238-L257 HydrophobicContact CE-CD2 3.76Å; M238-N260 HydrophobicContact CB-CB 4.25Å; M238-N260 WeakPolarHBondContact CB-OD1 3.5Å; M238-N260 WeakPolarHBondContact CE-OD1 3.09Å; M238-N260 PolarHBondContact N-OD1 3.45Å; M238-N260 VanDerWaalsContact N-OD1 3.08Å; M238-P261 CarbonylContact O-C 3.49Å; M238-P261 WeakPolarHBondContact O-CD 3.45Å; M238-P261 WeakPolarHBondContact O-CG 3.45Å; M238-L262 HydrophobicContact CB-CD2 4.12Å; M238-L262 WeakPolarHBondContact O-CD2 3.43Å; M238-L262 PolarHBondContact O-N 3.45Å
239	I	95.1	Very high	96	Very high	114 Å²	114	41.3 Å²	41.3	59%	0.585	22%	0.215	S	C	*	.			trans	-101.4	-18.6	-177.9	-57.3	168.1	0	0	0	111.7	Q237 P261 L262	Q237-I239 PolarHBondContact O-N 3.42Å; I239-P261 HydrophobicContact CG1-CG 4.08Å; I239-L262 CarbonylContact O-C 3.02Å; I239-L262 WeakPolarHBondContact O-CA 3.23Å
240	L	91.5	Very high	95.9	Very high	69 Å²	69	41.8 Å²	41.8	36%	0.361	23%	0.226	S	C	.	.			trans	-148.1	145.8	-177.3	-171.5	66.7	0	0	0	110.3	E242 E266	L240-E242 HydrophobicContact CD2-CG 4.17Å; L240-E266 HydrophobicContact CD1-CG 3.77Å; L240-E266 HydrophobicContact CG-CG 4.41Å
241	L	92.4	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.			trans	-110.9	115.3	159.9	-66.8	178.2	0	0	0	108.6	F216 F246 L257 L262 L265 S269 L270	F216-L241 HydrophobicContact CB-CD2 4.15Å; F216-L241 HydrophobicContact CD2-CD2 4.42Å; L241-F246 HydrophobicContact CD1-CE2 4.19Å; L241-L257 HydrophobicContact CD1-CD1 3.32Å; L241-L257 HydrophobicContact CD2-CD1 4.29Å; L241-L257 HydrophobicContact CG-CD1 4.33Å; L241-L262 HydrophobicContact CD1-CD1 4.31Å; L241-L262 HydrophobicContact CG-CD1 4.45Å; L241-L262 HydrophobicContact CG-CD2 4Å; L241-L265 HydrophobicContact CB-CD2 4.18Å; L241-L265 HydrophobicContact CD1-CD2 3.42Å; L241-L265 VanDerWaalsContact CD1-CD2 3.42Å; L241-L265 HydrophobicContact CG-CD2 4.13Å; L241-S269 VanDerWaalsContact O-CB 3.27Å; L241-S269 WeakPolarHBondContact O-CB 3.21Å; L241-L270 HydrophobicContact CD1-CD2 4.5Å
242	E	90	Very high	95.9	Very high	130 Å²	130	48 Å²	48	61%	0.607	25%	0.247	S	C	*	.			trans	-74.9	152.5	-178.7	-62.2	179.3	170.5	0	0	111.5	L240 G244 S245 E266 S269	L240-E242 HydrophobicContact CD2-CG 4.17Å; E242-G244 PolarHBondContact O-N 2.97Å; E242-S245 PolarHBondContact N-OG 2.91Å; E242-S245 WeakPolarHBondContact O-CB 3.3Å; E242-S245 PolarHBondContact O-N 2.96Å; E242-S245 VanDerWaalsContact O-N 3.17Å; E242-S245 PolarHBondContact O-OG 3.14Å; E242-E266 VanDerWaalsContact CA-OE2 3.3Å; E242-E266 WeakPolarHBondContact CA-OE2 3.35Å; E242-S269 WeakPolarHBondContact O-CA 3.24Å
243	T	93.1	Very high	95.9	Very high	84 Å²	84	51.6 Å²	51.6	52%	0.515	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	130.6	169.4	-58.6	0	0	0	0	111.7	S245 E266 N267	T243-S245 VanDerWaalsContact C-N 3.3Å; T243-S245 PolarHBondContact O-N 3.34Å; T243-E266 PolarHBondContact N-OE2 3.05Å; T243-N267 PolarHBondContact OG1-O 3.08Å
244	G	91.3	Very high	95.9	Very high	6 Å²	6	56.1 Å²	56.1	6%	0.062	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	11.1	176.7	0	0	0	0	0	115.3	E242 F246 H247 G268	E242-G244 PolarHBondContact O-N 2.97Å; G244-F246 PolarHBondContact O-N 3.48Å; G244-F246 VanDerWaalsContact O-N 3.17Å; G244-H247 PolarHBondContact O-N 2.77Å; G244-H247 VanDerWaalsContact O-N 3.17Å; G244-G268 PolarHBondContact N-O 3.31Å
245	S	94.3	Very high	95.9	Very high	6 Å²	6	56 Å²	56	4%	0.042	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-38.6	171.1	-69	0	0	0	0	111.9	F216 E242 T243	F216-S245 WeakPolarHBondContact CE1-O 3.4Å; E242-S245 PolarHBondContact N-OG 2.91Å; E242-S245 WeakPolarHBondContact O-CB 3.3Å; E242-S245 PolarHBondContact O-N 2.96Å; E242-S245 VanDerWaalsContact O-N 3.17Å; E242-S245 PolarHBondContact O-OG 3.14Å; T243-S245 VanDerWaalsContact C-N 3.3Å; T243-S245 PolarHBondContact O-N 3.34Å
246	F	96.8	Very high	95.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	14.4	-177.1	-58.6	-77.8	0	0	0	115.3	F216 L231 L241 G244 G248 F249 L252 L255 L257 S269 L270 N271 L273	F216-F246 HydrophobicContact CD2-CE1 4.34Å; F216-F246 HydrophobicContact CD2-CZ 4.21Å; F216-F246 HydrophobicContact CE2-CD1 4.23Å; F216-F246 AromaticContact CE2-CE1 3.42Å; F216-F246 HydrophobicContact CE2-CE1 3.42Å; F216-F246 VanDerWaalsContact CE2-CE1 3.42Å; F216-F246 AromaticContact CE2-CZ 3.73Å; F216-F246 HydrophobicContact CE2-CZ 3.73Å; F216-F246 AromaticContact CZ-CD1 3.92Å; F216-F246 HydrophobicContact CZ-CD1 3.92Å; F216-F246 AromaticContact CZ-CE1 3.59Å; F216-F246 HydrophobicContact CZ-CE1 3.59Å; F216-F246 HydrophobicContact CZ-CZ 4.19Å; L231-F246 HydrophobicContact CD2-CE1 4.2Å; L241-F246 HydrophobicContact CD1-CE2 4.19Å; G244-F246 PolarHBondContact O-N 3.48Å; G244-F246 VanDerWaalsContact O-N 3.17Å; F246-G248 PolarHBondContact O-N 3.25Å; F246-F249 HydrophobicContact CB-CD2 4.14Å; F246-F249 HydrophobicContact CD1-CD2 4.19Å; F246-F249 HydrophobicContact CD1-CE2 4.3Å; F246-F249 HydrophobicContact CD1-CG 4.45Å; F246-F249 WeakPolarHBondContact O-CD2 3.42Å; F246-F249 PolarHBondContact O-N 3.5Å; F246-L252 HydrophobicContact CD1-CD2 4.28Å; F246-L255 HydrophobicContact CD1-CD2 4.49Å; F246-L255 HydrophobicContact CE1-CD1 3.9Å; F246-L255 HydrophobicContact CE1-CD2 3.78Å; F246-L255 HydrophobicContact CE2-CD2 3.96Å; F246-L255 HydrophobicContact CZ-CD1 4.01Å; F246-L255 HydrophobicContact CZ-CD2 3.49Å; F246-L255 VanDerWaalsContact CZ-CD2 3.49Å; F246-L255 HydrophobicContact CZ-CG 4.41Å; F246-L257 HydrophobicContact CZ-CD1 4.34Å; F246-S269 VanDerWaalsContact CD2-O 3.27Å; F246-S269 WeakPolarHBondContact CD2-O 3.46Å; F246-L270 HydrophobicContact CD2-CD2 3.96Å; F246-L270 HydrophobicContact CE2-CD2 3.72Å; F246-N271 CarbonylContact C-O 3.48Å; F246-N271 VanDerWaalsContact C-O 3.27Å; F246-L273 HydrophobicContact CB-CD1 3.78Å; F246-L273 HydrophobicContact CB-CD2 3.91Å; F246-L273 HydrophobicContact CB-CG 3.61Å; F246-L273 HydrophobicContact CD1-CD1 4.07Å; F246-L273 HydrophobicContact CD2-CD1 3.87Å; F246-L273 HydrophobicContact CG-CD1 3.64Å; F246-L273 HydrophobicContact CG-CD2 4.38Å; F246-L273 HydrophobicContact CG-CG 4.06Å
247	H	95.1	Very high	95.9	Very high	91 Å²	91	53.2 Å²	53.2	42%	0.421	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	124.3	171.8	-77	-174.5	0	0	0	111	M225 G244 N271	M225-H247 VanDerWaalsContact SD-O 3.38Å; G244-H247 PolarHBondContact O-N 2.77Å; G244-H247 VanDerWaalsContact O-N 3.17Å; H247-N271 PolarHBondContact CD2-O 3.17Å; H247-N271 PolarHBondContact N-O 3.14Å
248	G	95.4	Very high	95.9	Very high	31 Å²	31	49.5 Å²	49.5	32%	0.32	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	-4	-179.8	0	0	0	0	0	114.9	M225 F246 D250	M225-G248 CarbonylContact C-O 3.2Å; F246-G248 PolarHBondContact O-N 3.25Å; G248-D250 PolarHBondContact O-N 3.11Å
249	F	97.5	Very high	96	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.			trans	-82.3	53.1	174.2	-73.8	-94.5	0	0	0	112.3	F216 L221 M225 L228 F246 R251 L252 L273 S276	F216-F249 HydrophobicContact CE1-CE2 4.37Å; F216-F249 HydrophobicContact CZ-CE2 4.08Å; F216-F249 AromaticContact CZ-CZ 3.96Å; F216-F249 HydrophobicContact CZ-CZ 3.96Å; L221-F249 HydrophobicContact CB-CZ 3.95Å; L221-F249 HydrophobicContact CD1-CZ 3.96Å; M225-F249 HydrophobicContact CB-CD1 4.21Å; M225-F249 HydrophobicContact CB-CD2 4.1Å; M225-F249 HydrophobicContact CB-CE1 4.25Å; M225-F249 HydrophobicContact CB-CE2 4.19Å; M225-F249 HydrophobicContact CB-CG 4.16Å; M225-F249 HydrophobicContact CB-CZ 4.26Å; M225-F249 HydrophobicContact CE-CE2 3.63Å; M225-F249 HydrophobicContact CE-CZ 4.09Å; M225-F249 HydrophobicContact CG-CD1 4.43Å; M225-F249 HydrophobicContact CG-CD2 3.95Å; M225-F249 HydrophobicContact CG-CE1 4.04Å; M225-F249 HydrophobicContact CG-CE2 3.56Å; M225-F249 HydrophobicContact CG-CG 4.41Å; M225-F249 HydrophobicContact CG-CZ 3.61Å; M225-F249 HydrophobicContact SD-CD2 3.97Å; M225-F249 HydrophobicContact SD-CE2 3.62Å; M225-F249 HydrophobicContact SD-CZ 4.24Å; L228-F249 HydrophobicContact CB-CD1 4.43Å; L228-F249 HydrophobicContact CD2-CD1 4.36Å; L228-F249 HydrophobicContact CD2-CE1 3.87Å; F246-F249 HydrophobicContact CB-CD2 4.14Å; F246-F249 HydrophobicContact CD1-CD2 4.19Å; F246-F249 HydrophobicContact CD1-CE2 4.3Å; F246-F249 HydrophobicContact CD1-CG 4.45Å; F246-F249 WeakPolarHBondContact O-CD2 3.42Å; F246-F249 PolarHBondContact O-N 3.5Å; F249-R251 PolarHBondContact O-N 3.08Å; F249-L252 HydrophobicContact CB-CB 3.97Å; F249-L252 HydrophobicContact CB-CD2 4.46Å; F249-L252 HydrophobicContact CD1-CB 4.43Å; F249-L252 HydrophobicContact CD1-CD1 4.46Å; F249-L252 HydrophobicContact CD1-CD2 4.3Å; F249-L252 PolarHBondContact O-N 3.05Å; F249-L252 VanDerWaalsContact O-N 3.16Å; F249-L273 HydrophobicContact CB-CD2 3.82Å; F249-S276 PolarHBondContact O-OG 3.2Å
250	D	95.9	Very high	96.2	Very high	118 Å²	118	45.1 Å²	45.1	63%	0.631	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.8	-170.8	-59.6	-32	0	0	0	114.2	G248 S276	G248-D250 PolarHBondContact O-N 3.11Å; D250-S276 VanDerWaalsContact O-CB 3.31Å; D250-S276 WeakPolarHBondContact O-CB 3.24Å
251	R	98.2	Very high	96.5	Very high	144 Å²	144	43.7 Å²	43.7	54%	0.543	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	0.6	-177.4	-62.5	-168.6	179.4	167.3	-3.4	114.3	P226 L228 F249 K253	P226-R251 VanDerWaalsContact O-CD 3.26Å; P226-R251 WeakPolarHBondContact O-CD 3.37Å; L228-R251 CarbonylContact O-C 3.26Å; F249-R251 PolarHBondContact O-N 3.08Å; R251-K253 PolarHBondContact O-N 2.81Å
252	L	98.7	Very high	96.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.			trans	-70.8	119.2	-176.7	-168.1	75.1	0	0	0	110.5	L228 L231 F246 F249 L255 L273 S276 L277	L228-L252 HydrophobicContact CB-CD1 4.41Å; L228-L252 HydrophobicContact CD2-CD1 4.1Å; L228-L252 HydrophobicContact CG-CD1 4.25Å; L228-L252 WeakPolarHBondContact O-CA 3.35Å; L228-L252 PolarHBondContact O-N 2.82Å; L231-L252 HydrophobicContact CB-CD1 3.77Å; L231-L252 HydrophobicContact CB-CD2 4.44Å; F246-L252 HydrophobicContact CD1-CD2 4.28Å; F249-L252 HydrophobicContact CB-CB 3.97Å; F249-L252 HydrophobicContact CB-CD2 4.46Å; F249-L252 HydrophobicContact CD1-CB 4.43Å; F249-L252 HydrophobicContact CD1-CD1 4.46Å; F249-L252 HydrophobicContact CD1-CD2 4.3Å; F249-L252 PolarHBondContact O-N 3.05Å; F249-L252 VanDerWaalsContact O-N 3.16Å; L252-L255 HydrophobicContact CD2-CB 4.29Å; L252-L255 HydrophobicContact CD2-CD1 4.46Å; L252-L273 HydrophobicContact CB-CD2 3.93Å; L252-L273 HydrophobicContact CD2-CD1 4.48Å; L252-L273 HydrophobicContact CD2-CD2 3.79Å; L252-L273 HydrophobicContact CG-CD2 4.42Å; L252-S276 CarbonylContact O-C 3.22Å; L252-S276 VanDerWaalsContact O-CB 3.24Å; L252-S276 WeakPolarHBondContact O-CB 3.4Å; L252-S276 PolarHBondContact O-OG 3Å; L252-L277 HydrophobicContact CD2-CD1 4.45Å; L252-L277 HydrophobicContact CG-CD1 4.46Å; L252-L277 VanDerWaalsContact O-CA 3.3Å; L252-L277 WeakPolarHBondContact O-CA 3.32Å; L252-L277 PolarHBondContact O-N 3.12Å
253	K	98.9	Very high	96.6	Very high	96 Å²	96	39.6 Å²	39.6	42%	0.417	22%	0.216	S	C	.	.			trans	-106.3	-29.6	-177.5	-65.2	-177.3	-179.9	-178.1	0	113.1	R229 R251 M278 H279	R229-K253 PolarHBondContact O-N 3.1Å; R251-K253 PolarHBondContact O-N 2.81Å; K253-M278 HydrophobicContact CB-CG 4.5Å; K253-M278 HydrophobicContact CD-CE 4.23Å; K253-M278 HydrophobicContact CD-SD 4.24Å; K253-M278 HydrophobicContact CG-CE 4.43Å; K253-M278 HydrophobicContact CG-SD 4.45Å; K253-M278 WeakPolarHBondContact O-CA 3.15Å; K253-M278 PolarHBondContact O-N 3.01Å; K253-H279 PolarHBondContact O-N 3.01Å
254	Q	98.9	Very high	96.4	Very high	96 Å²	96	40 Å²	40	45%	0.449	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.7	-177.1	-61.8	-178.8	11.2	0	0	109.1	R229 S230 L231 H279	R229-Q254 PolarHBondContact O-N 3.34Å; R229-Q254 VanDerWaalsContact O-N 3.08Å; S230-Q254 WeakPolarHBondContact CA-O 3.38Å; L231-Q254 PolarHBondContact N-O 2.96Å; Q254-H279 WeakPolarHBondContact CA-O 3.37Å; Q254-H279 HydrophobicContact CG-CB 4.13Å
255	L	98.8	Very high	96.3	Very high	3 Å²	3	40 Å²	40	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	117.8	176.1	177.3	58.8	0	0	0	108.7	L231 F246 L252 L257 L270 L273 L277 H279 L280 D281	L231-L255 HydrophobicContact CB-CD1 4.17Å; L231-L255 HydrophobicContact CD2-CD1 4.07Å; L231-L255 HydrophobicContact CG-CD1 4.23Å; L231-L255 WeakPolarHBondContact O-CA 3.47Å; F246-L255 HydrophobicContact CD1-CD2 4.49Å; F246-L255 HydrophobicContact CE1-CD1 3.9Å; F246-L255 HydrophobicContact CE1-CD2 3.78Å; F246-L255 HydrophobicContact CE2-CD2 3.96Å; F246-L255 HydrophobicContact CZ-CD1 4.01Å; F246-L255 HydrophobicContact CZ-CD2 3.49Å; F246-L255 VanDerWaalsContact CZ-CD2 3.49Å; F246-L255 HydrophobicContact CZ-CG 4.41Å; L252-L255 HydrophobicContact CD2-CB 4.29Å; L252-L255 HydrophobicContact CD2-CD1 4.46Å; L255-L257 HydrophobicContact CD1-CD1 4.29Å; L255-L257 HydrophobicContact CD1-CD2 3.99Å; L255-L257 HydrophobicContact CD1-CG 3.89Å; L255-L257 HydrophobicContact CD2-CD1 4.07Å; L255-L257 HydrophobicContact CD2-CG 4.45Å; L255-L257 HydrophobicContact CG-CD1 4.17Å; L255-L257 HydrophobicContact CG-CG 4Å; L255-L270 HydrophobicContact CD2-CD2 4.25Å; L255-L273 HydrophobicContact CD2-CD1 3.99Å; L255-L277 HydrophobicContact CB-CD1 3.63Å; L255-H279 PolarHBondContact N-O 3.27Å; L255-L280 HydrophobicContact CB-CD1 4.13Å; L255-L280 HydrophobicContact CD2-CD1 3.92Å; L255-L280 HydrophobicContact CG-CD1 4.01Å; L255-L280 WeakPolarHBondContact O-CA 3Å; L255-D281 PolarHBondContact O-N 3.36Å
256	N	98.9	Very high	96.1	Very high	38 Å²	38	43 Å²	43	20%	0.203	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.7	174.4	-173.9	1.5	0	0	0	109.9	L231 D232 M233 S234 S258 D281	L231-N256 PolarHBondContact O-N 2.8Å; D232-N256 HydrophobicContact CB-CB 4.26Å; D232-N256 PolarHBondContact OD1-ND2 3.3Å; M233-N256 PolarHBondContact N-O 3.14Å; S234-N256 PolarHBondContact N-O 3.44Å; N256-S258 VanDerWaalsContact OD1-CB 3.32Å; N256-S258 WeakPolarHBondContact OD1-CB 2.83Å; N256-S258 PolarHBondContact OD1-N 3.42Å; N256-S258 PolarHBondContact OD1-OG 3.18Å; N256-D281 HydrophobicContact CB-CB 4.41Å
257	L	98.6	Very high	95.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.			trans	-119.6	10.9	176.1	-62.4	176.1	0	0	0	111.6	M233 M238 L241 F246 L255 N260 D281 L282 C285	M233-L257 HydrophobicContact CB-CD2 4.1Å; M238-L257 HydrophobicContact CE-CD2 3.76Å; L241-L257 HydrophobicContact CD1-CD1 3.32Å; L241-L257 HydrophobicContact CD2-CD1 4.29Å; L241-L257 HydrophobicContact CG-CD1 4.33Å; F246-L257 HydrophobicContact CZ-CD1 4.34Å; L255-L257 HydrophobicContact CD1-CD1 4.29Å; L255-L257 HydrophobicContact CD1-CD2 3.99Å; L255-L257 HydrophobicContact CD1-CG 3.89Å; L255-L257 HydrophobicContact CD2-CD1 4.07Å; L255-L257 HydrophobicContact CD2-CG 4.45Å; L255-L257 HydrophobicContact CG-CD1 4.17Å; L255-L257 HydrophobicContact CG-CG 4Å; L257-N260 WeakPolarHBondContact O-CB 3.14Å; L257-N260 PolarHBondContact O-N 3.32Å; L257-N260 PolarHBondContact O-ND2 3.37Å; L257-D281 PolarHBondContact N-O 3.37Å; L257-L282 HydrophobicContact CB-CD2 4.13Å; L257-L282 HydrophobicContact CD1-CD2 4.16Å; L257-C285 PolarHBondContact O-SG 2.9Å
258	S	98.7	Very high	95.7	Very high	13 Å²	13	44.7 Å²	44.7	9%	0.091	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	148.7	-175.2	58.2	0	0	0	0	113	S234 N235 N256 N260 D281 S283	S234-S258 CarbonylContact C-O 3.57Å; S234-S258 WeakPolarHBondContact CA-O 3.26Å; S234-S258 VanDerWaalsContact CB-O 3.29Å; S234-S258 WeakPolarHBondContact CB-O 3.39Å; S234-S258 VanDerWaalsContact CB-OG 3.28Å; S234-S258 WeakPolarHBondContact CB-OG 3.36Å; N235-S258 PolarHBondContact N-O 2.68Å; N256-S258 VanDerWaalsContact OD1-CB 3.32Å; N256-S258 WeakPolarHBondContact OD1-CB 2.83Å; N256-S258 PolarHBondContact OD1-N 3.42Å; N256-S258 PolarHBondContact OD1-OG 3.18Å; S258-N260 PolarHBondContact O-N 3.41Å; S258-D281 WeakPolarHBondContact CB-OD1 3.5Å; S258-D281 PolarHBondContact N-O 3.2Å; S258-S283 CarbonylContact C-O 3.55Å; S258-S283 WeakPolarHBondContact CA-O 3.36Å; S258-S283 VanDerWaalsContact CB-O 3.29Å; S258-S283 WeakPolarHBondContact CB-O 3.49Å; S258-S283 WeakPolarHBondContact CB-OG 3.27Å
259	G	98.5	Very high	95.7	Very high	21 Å²	21	43.2 Å²	43.2	22%	0.216	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	17.5	177.8	0	0	0	0	0	114.8	S283 K284	G259-S283 PolarHBondContact N-O 2.99Å; G259-K284 WeakPolarHBondContact CA-O 3.38Å
260	N	98.6	Very high	95.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.225	C	C	.	.			trans	-96.1	140.3	169.2	-79.5	-85.6	0	0	0	110.9	M233 N236 Q237 M238 L257 S258 L262 C285	M233-N260 PolarHBondContact O-ND2 3.05Å; N236-N260 VanDerWaalsContact CA-OD1 3.27Å; N236-N260 WeakPolarHBondContact CA-OD1 3.29Å; N236-N260 WeakPolarHBondContact CB-OD1 3.02Å; N236-N260 PolarHBondContact N-OD1 2.9Å; N236-N260 PolarHBondContact O-OD1 2.82Å; Q237-N260 PolarHBondContact N-OD1 3.38Å; M238-N260 HydrophobicContact CB-CB 4.25Å; M238-N260 WeakPolarHBondContact CB-OD1 3.5Å; M238-N260 WeakPolarHBondContact CE-OD1 3.09Å; M238-N260 PolarHBondContact N-OD1 3.45Å; M238-N260 VanDerWaalsContact N-OD1 3.08Å; L257-N260 WeakPolarHBondContact O-CB 3.14Å; L257-N260 PolarHBondContact O-N 3.32Å; L257-N260 PolarHBondContact O-ND2 3.37Å; S258-N260 PolarHBondContact O-N 3.41Å; N260-L262 HydrophobicContact CB-CG 4.05Å; N260-L262 PolarHBondContact O-N 3.25Å; N260-C285 CarbonylContact O-C 3.49Å; N260-C285 WeakPolarHBondContact O-CA 3.09Å
261	P	97.1	Very high	95.6	Very high	39 Å²	39	39.7 Å²	39.7	25%	0.253	21%	0.207	S	C	.	.			trans	-74.5	47	-177.7	33.7	-39.2	0	0	0	115.2	M238 I239 A263 M286	M238-P261 CarbonylContact O-C 3.49Å; M238-P261 WeakPolarHBondContact O-CD 3.45Å; M238-P261 WeakPolarHBondContact O-CG 3.45Å; I239-P261 HydrophobicContact CG1-CG 4.08Å; P261-A263 PolarHBondContact O-N 2.66Å; P261-M286 HydrophobicContact CB-CE 3.09Å
262	L	95.4	Very high	95.5	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	19%	0.188	C	C	.	.			trans	-63.1	-41.5	-171.5	-66.7	174.4	0	0	0	113.9	M238 I239 L241 N260 L264 L265 L282 C285	M238-L262 HydrophobicContact CB-CD2 4.12Å; M238-L262 WeakPolarHBondContact O-CD2 3.43Å; M238-L262 PolarHBondContact O-N 3.45Å; I239-L262 CarbonylContact O-C 3.02Å; I239-L262 WeakPolarHBondContact O-CA 3.23Å; L241-L262 HydrophobicContact CD1-CD1 4.31Å; L241-L262 HydrophobicContact CG-CD1 4.45Å; L241-L262 HydrophobicContact CG-CD2 4Å; N260-L262 HydrophobicContact CB-CG 4.05Å; N260-L262 PolarHBondContact O-N 3.25Å; L262-L264 PolarHBondContact O-N 2.85Å; L262-L265 HydrophobicContact CD1-CD2 4.33Å; L262-L282 HydrophobicContact CD1-CD2 4.14Å; L262-C285 HydrophobicContact CB-CB 4.36Å; L262-C285 HydrophobicContact CD1-CB 4.31Å; L262-C285 PolarHBondContact N-O 2.89Å
263	A	90.9	Very high	95.5	Very high	41 Å²	41	33.5 Å²	33.5	34%	0.339	19%	0.188	S	C	.	.			trans	61	-37.9	-175.3	0	0	0	0	0	116.9	P261 C285 M286 I287 T288	P261-A263 PolarHBondContact O-N 2.66Å; A263-C285 PolarHBondContact N-O 2.9Å; A263-M286 WeakPolarHBondContact CA-O 3.28Å; A263-I287 WeakPolarHBondContact O-CA 3.18Å; A263-T288 PolarHBondContact O-N 3Å
264	L	87.8	Confident	95.4	Very high	91 Å²	91	32 Å²	32	48%	0.476	18%	0.182	S	C	.	.			trans	-146.4	152.2	177.6	-173.6	68.4	0	0	0	110	L262	L262-L264 PolarHBondContact O-N 2.85Å
265	L	90.2	Very high	95.3	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	20%	0.201	C	C	.	.			trans	-109.4	125.4	168	-71.7	161.6	0	0	0	108.5	L241 L262 L282 I287 P291	L241-L265 HydrophobicContact CB-CD2 4.18Å; L241-L265 HydrophobicContact CD1-CD2 3.42Å; L241-L265 VanDerWaalsContact CD1-CD2 3.42Å; L241-L265 HydrophobicContact CG-CD2 4.13Å; L262-L265 HydrophobicContact CD1-CD2 4.33Å; L265-L282 HydrophobicContact CD1-CD1 3.68Å; L265-L282 HydrophobicContact CD1-CD2 4.3Å; L265-L282 HydrophobicContact CD2-CD2 4.46Å; L265-I287 HydrophobicContact CD1-CD1 4.3Å; L265-P291 HydrophobicContact CB-CB 4.23Å; L265-P291 HydrophobicContact CD1-CB 3.72Å; L265-P291 HydrophobicContact CD1-CG 3.79Å
266	E	89.7	Confident	95.3	Very high	71 Å²	71	38.3 Å²	38.3	33%	0.332	20%	0.203	S	C	.	.			trans	-63.2	151.3	173.6	-64.3	-166.3	146.6	0	0	110.9	L240 E242 T243 G268 S269 S294	L240-E266 HydrophobicContact CD1-CG 3.77Å; L240-E266 HydrophobicContact CG-CG 4.41Å; E242-E266 VanDerWaalsContact CA-OE2 3.3Å; E242-E266 WeakPolarHBondContact CA-OE2 3.35Å; T243-E266 PolarHBondContact N-OE2 3.05Å; E266-G268 PolarHBondContact O-N 3.02Å; E266-S269 WeakPolarHBondContact O-CB 3.45Å; E266-S269 PolarHBondContact O-N 3.25Å; E266-S269 PolarHBondContact O-OG 2.79Å; E266-S294 PolarHBondContact O-OG 2.84Å
267	N	91.1	Very high	95.3	Very high	117 Å²	117	36.5 Å²	36.5	63%	0.626	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	129.9	172.5	-70	-9.9	0	0	0	109.6	T243 S269 A293	T243-N267 PolarHBondContact OG1-O 3.08Å; N267-S269 PolarHBondContact O-N 3.01Å; N267-A293 WeakPolarHBondContact OD1-CB 3.49Å
268	G	92.1	Very high	95.3	Very high	8 Å²	8	38.9 Å²	38.9	8%	0.082	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	12	-178.3	0	0	0	0	0	115.2	G244 E266 L270 N271	G244-G268 PolarHBondContact N-O 3.31Å; E266-G268 PolarHBondContact O-N 3.02Å; G268-L270 PolarHBondContact O-N 2.94Å; G268-N271 VanDerWaalsContact CA-CG 3.43Å; G268-N271 WeakPolarHBondContact CA-ND2 3.46Å; G268-N271 WeakPolarHBondContact CA-OD1 3.32Å; G268-N271 WeakPolarHBondContact O-CB 3.34Å; G268-N271 PolarHBondContact O-N 3.36Å; G268-N271 VanDerWaalsContact O-N 3.13Å
269	S	94.6	Very high	95.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.8	170.4	51.1	0	0	0	0	112	L241 E242 F246 E266 N267	L241-S269 VanDerWaalsContact O-CB 3.27Å; L241-S269 WeakPolarHBondContact O-CB 3.21Å; E242-S269 WeakPolarHBondContact O-CA 3.24Å; F246-S269 VanDerWaalsContact CD2-O 3.27Å; F246-S269 WeakPolarHBondContact CD2-O 3.46Å; E266-S269 WeakPolarHBondContact O-CB 3.45Å; E266-S269 PolarHBondContact O-N 3.25Å; E266-S269 PolarHBondContact O-OG 2.79Å; N267-S269 PolarHBondContact O-N 3.01Å
270	L	96.7	Very high	95.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	11	177.5	-56.9	177.5	0	0	0	114.3	L241 F246 L255 G268 L273 L280 L295 L298	L241-L270 HydrophobicContact CD1-CD2 4.5Å; F246-L270 HydrophobicContact CD2-CD2 3.96Å; F246-L270 HydrophobicContact CE2-CD2 3.72Å; L255-L270 HydrophobicContact CD2-CD2 4.25Å; G268-L270 PolarHBondContact O-N 2.94Å; L270-L273 HydrophobicContact CD2-CD1 4.32Å; L270-L273 WeakPolarHBondContact O-CB 3.49Å; L270-L273 PolarHBondContact O-N 2.84Å; L270-L280 HydrophobicContact CD1-CD2 3.84Å; L270-L295 HydrophobicContact CD1-CD2 4.1Å; L270-L298 HydrophobicContact CB-CD2 4.29Å; L270-L298 HydrophobicContact CD1-CD1 3.97Å
271	N	95.4	Very high	95.3	Very high	44 Å²	44	42.5 Å²	42.5	24%	0.235	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	148.5	176	-73.7	-3.2	0	0	0	111.3	F246 H247 G268 L273 E274	F246-N271 CarbonylContact C-O 3.48Å; F246-N271 VanDerWaalsContact C-O 3.27Å; H247-N271 PolarHBondContact CD2-O 3.17Å; H247-N271 PolarHBondContact N-O 3.14Å; G268-N271 VanDerWaalsContact CA-CG 3.43Å; G268-N271 WeakPolarHBondContact CA-ND2 3.46Å; G268-N271 WeakPolarHBondContact CA-OD1 3.32Å; G268-N271 WeakPolarHBondContact O-CB 3.34Å; G268-N271 PolarHBondContact O-N 3.36Å; G268-N271 VanDerWaalsContact O-N 3.13Å; N271-L273 VanDerWaalsContact C-N 3.34Å; N271-E274 WeakPolarHBondContact CA-OE1 3.2Å
272	G	95.9	Very high	95.4	Very high	15 Å²	15	40.7 Å²	40.7	16%	0.155	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-8.9	-170.4	0	0	0	0	0	114	E274	G272-E274 WeakPolarHBondContact CA-OE2 3.38Å; G272-E274 VanDerWaalsContact N-CD 3.27Å; G272-E274 PolarHBondContact N-OE1 3.46Å; G272-E274 PolarHBondContact N-OE2 3.11Å
273	L	98.1	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.			trans	-104.1	2.9	-179.7	-61.3	-177.2	0	0	0	113.9	F246 F249 L252 L255 L270 N271 R275 S276 L277 L298	F246-L273 HydrophobicContact CB-CD1 3.78Å; F246-L273 HydrophobicContact CB-CD2 3.91Å; F246-L273 HydrophobicContact CB-CG 3.61Å; F246-L273 HydrophobicContact CD1-CD1 4.07Å; F246-L273 HydrophobicContact CD2-CD1 3.87Å; F246-L273 HydrophobicContact CG-CD1 3.64Å; F246-L273 HydrophobicContact CG-CD2 4.38Å; F246-L273 HydrophobicContact CG-CG 4.06Å; F249-L273 HydrophobicContact CB-CD2 3.82Å; L252-L273 HydrophobicContact CB-CD2 3.93Å; L252-L273 HydrophobicContact CD2-CD1 4.48Å; L252-L273 HydrophobicContact CD2-CD2 3.79Å; L252-L273 HydrophobicContact CG-CD2 4.42Å; L255-L273 HydrophobicContact CD2-CD1 3.99Å; L270-L273 HydrophobicContact CD2-CD1 4.32Å; L270-L273 WeakPolarHBondContact O-CB 3.49Å; L270-L273 PolarHBondContact O-N 2.84Å; N271-L273 VanDerWaalsContact C-N 3.34Å; L273-R275 VanDerWaalsContact C-N 3.25Å; L273-R275 PolarHBondContact O-N 3.37Å; L273-R275 VanDerWaalsContact O-N 3.11Å; L273-S276 PolarHBondContact O-N 2.95Å; L273-S276 PolarHBondContact O-OG 3.02Å; L273-L277 HydrophobicContact CB-CB 3.96Å; L273-L277 HydrophobicContact CB-CD2 4.45Å; L273-L277 HydrophobicContact CD1-CD1 4.49Å; L273-L277 HydrophobicContact CD1-CD2 4Å; L273-L277 PolarHBondContact O-N 3.12Å; L273-L277 VanDerWaalsContact O-N 3.14Å; L273-L298 HydrophobicContact CB-CD2 3.82Å
274	E	97.2	Very high	95.9	Very high	63 Å²	63	44.1 Å²	44.1	29%	0.294	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-37.1	-165.2	-60.7	84.8	176.4	0	0	113.1	N271 G272 T297 T299 S300	N271-E274 WeakPolarHBondContact CA-OE1 3.2Å; G272-E274 WeakPolarHBondContact CA-OE2 3.38Å; G272-E274 VanDerWaalsContact N-CD 3.27Å; G272-E274 PolarHBondContact N-OE1 3.46Å; G272-E274 PolarHBondContact N-OE2 3.11Å; E274-T297 WeakPolarHBondContact CA-O 3.35Å; E274-T297 VanDerWaalsContact CB-O 3.24Å; E274-T297 WeakPolarHBondContact CB-O 3.29Å; E274-T297 WeakPolarHBondContact CG-O 3.18Å; E274-T299 PolarHBondContact O-N 3.15Å; E274-T299 PolarHBondContact O-OG1 3.39Å; E274-S300 PolarHBondContact O-N 3.29Å
275	R	97.1	Very high	96.4	Very high	221 Å²	221	39.8 Å²	39.8	83%	0.834	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-4.9	-174.1	-60.5	-177.9	-175.3	161.2	2.2	114.1	L273 S300	L273-R275 VanDerWaalsContact C-N 3.25Å; L273-R275 PolarHBondContact O-N 3.37Å; L273-R275 VanDerWaalsContact O-N 3.11Å; R275-S300 VanDerWaalsContact C-OG 3.27Å; R275-S300 WeakPolarHBondContact CA-OG 3.34Å; R275-S300 PolarHBondContact O-OG 2.93Å; R275-S300 VanDerWaalsContact O-OG 3.08Å
276	S	98.4	Very high	96.7	Very high	11 Å²	11	42.8 Å²	42.8	8%	0.077	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-42	-171	56.3	0	0	0	0	112.3	F249 D250 L252 L273 M278	F249-S276 PolarHBondContact O-OG 3.2Å; D250-S276 VanDerWaalsContact O-CB 3.31Å; D250-S276 WeakPolarHBondContact O-CB 3.24Å; L252-S276 CarbonylContact O-C 3.22Å; L252-S276 VanDerWaalsContact O-CB 3.24Å; L252-S276 WeakPolarHBondContact O-CB 3.4Å; L252-S276 PolarHBondContact O-OG 3Å; L273-S276 PolarHBondContact O-N 2.95Å; L273-S276 PolarHBondContact O-OG 3.02Å; S276-M278 PolarHBondContact O-N 3.15Å
277	L	98.7	Very high	97.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.			trans	-74.1	128	-169.8	-165.8	73.9	0	0	0	111.8	L252 L255 L273 L280 L298 S300 L301	L252-L277 HydrophobicContact CD2-CD1 4.45Å; L252-L277 HydrophobicContact CG-CD1 4.46Å; L252-L277 VanDerWaalsContact O-CA 3.3Å; L252-L277 WeakPolarHBondContact O-CA 3.32Å; L252-L277 PolarHBondContact O-N 3.12Å; L255-L277 HydrophobicContact CB-CD1 3.63Å; L273-L277 HydrophobicContact CB-CB 3.96Å; L273-L277 HydrophobicContact CB-CD2 4.45Å; L273-L277 HydrophobicContact CD1-CD1 4.49Å; L273-L277 HydrophobicContact CD1-CD2 4Å; L273-L277 PolarHBondContact O-N 3.12Å; L273-L277 VanDerWaalsContact O-N 3.14Å; L277-L280 HydrophobicContact CD2-CB 3.97Å; L277-L280 HydrophobicContact CD2-CD1 4.33Å; L277-L280 HydrophobicContact CD2-CD2 4.25Å; L277-L280 HydrophobicContact CD2-CG 4.42Å; L277-L298 HydrophobicContact CD2-CD1 4.11Å; L277-S300 CarbonylContact O-C 3.58Å; L277-L301 HydrophobicContact CD2-CD1 4.02Å; L277-L301 HydrophobicContact CG-CD1 4.06Å; L277-L301 VanDerWaalsContact O-CA 3.29Å; L277-L301 WeakPolarHBondContact O-CA 3.27Å; L277-L301 PolarHBondContact O-N 3.35Å; L277-L301 VanDerWaalsContact O-N 3.15Å
278	M	98.8	Very high	97.3	Very high	50 Å²	50	36.8 Å²	36.8	25%	0.246	18%	0.178	C	C	.	.			trans	-113.9	-31.7	-178.9	-62.3	-176.4	-176	0	0	112.1	K253 S276 K302 T303	K253-M278 HydrophobicContact CB-CG 4.5Å; K253-M278 HydrophobicContact CD-CE 4.23Å; K253-M278 HydrophobicContact CD-SD 4.24Å; K253-M278 HydrophobicContact CG-CE 4.43Å; K253-M278 HydrophobicContact CG-SD 4.45Å; K253-M278 WeakPolarHBondContact O-CA 3.15Å; K253-M278 PolarHBondContact O-N 3.01Å; S276-M278 PolarHBondContact O-N 3.15Å; M278-K302 HydrophobicContact CB-CG 4.5Å; M278-K302 WeakPolarHBondContact O-CA 3.34Å; M278-K302 WeakPolarHBondContact O-CB 3.4Å; M278-K302 PolarHBondContact O-N 3.3Å; M278-T303 PolarHBondContact O-N 2.75Å
279	H	98.9	Very high	97.4	Very high	67 Å²	67	42.8 Å²	42.8	31%	0.31	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122	-177.1	-54.1	-73.6	0	0	0	109.6	K253 Q254 L255 T303	K253-H279 PolarHBondContact O-N 3.01Å; Q254-H279 WeakPolarHBondContact CA-O 3.37Å; Q254-H279 HydrophobicContact CG-CB 4.13Å; L255-H279 PolarHBondContact N-O 3.27Å; H279-T303 PolarHBondContact ND1-OG1 3.04Å
280	L	98.8	Very high	97.6	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.3	177.9	178.1	55.4	0	0	0	109.6	L255 L270 L277 L282 L295 L298 L301 T303 L304 D305	L255-L280 HydrophobicContact CB-CD1 4.13Å; L255-L280 HydrophobicContact CD2-CD1 3.92Å; L255-L280 HydrophobicContact CG-CD1 4.01Å; L255-L280 WeakPolarHBondContact O-CA 3Å; L270-L280 HydrophobicContact CD1-CD2 3.84Å; L277-L280 HydrophobicContact CD2-CB 3.97Å; L277-L280 HydrophobicContact CD2-CD1 4.33Å; L277-L280 HydrophobicContact CD2-CD2 4.25Å; L277-L280 HydrophobicContact CD2-CG 4.42Å; L280-L282 HydrophobicContact CD1-CD1 4.21Å; L280-L282 HydrophobicContact CD1-CD2 4.42Å; L280-L282 HydrophobicContact CD1-CG 3.92Å; L280-L282 HydrophobicContact CD2-CD1 3.75Å; L280-L282 HydrophobicContact CD2-CG 4.35Å; L280-L282 HydrophobicContact CG-CD1 3.91Å; L280-L282 HydrophobicContact CG-CG 3.97Å; L280-L295 HydrophobicContact CD2-CD2 3.62Å; L280-L298 HydrophobicContact CD2-CD1 3.95Å; L280-L301 HydrophobicContact CB-CD1 3.76Å; L280-T303 PolarHBondContact N-O 3.28Å; L280-L304 HydrophobicContact CB-CD1 4.26Å; L280-L304 HydrophobicContact CD2-CD1 4Å; L280-L304 HydrophobicContact CG-CD1 4.11Å; L280-L304 WeakPolarHBondContact O-CA 3.39Å; L280-D305 PolarHBondContact O-N 2.85Å
281	D	98.9	Very high	97.5	Very high	42 Å²	42	44.2 Å²	44.2	23%	0.225	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	113.9	172.9	-170.4	-10.4	0	0	0	110.2	L255 N256 L257 S258 S283 D305	L255-D281 PolarHBondContact O-N 3.36Å; N256-D281 HydrophobicContact CB-CB 4.41Å; L257-D281 PolarHBondContact N-O 3.37Å; S258-D281 WeakPolarHBondContact CB-OD1 3.5Å; S258-D281 PolarHBondContact N-O 3.2Å; D281-S283 VanDerWaalsContact OD1-CB 3.23Å; D281-S283 WeakPolarHBondContact OD1-CB 3.21Å; D281-S283 PolarHBondContact OD1-N 2.88Å; D281-S283 PolarHBondContact OD1-OG 2.86Å; D281-D305 HydrophobicContact CB-CB 4.46Å
282	L	98.5	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.			trans	-122.6	24.2	176	-70.1	166.1	0	0	0	110.2	L257 L262 L265 L280 C285 I287 D305 L306 N309	L257-L282 HydrophobicContact CB-CD2 4.13Å; L257-L282 HydrophobicContact CD1-CD2 4.16Å; L262-L282 HydrophobicContact CD1-CD2 4.14Å; L265-L282 HydrophobicContact CD1-CD1 3.68Å; L265-L282 HydrophobicContact CD1-CD2 4.3Å; L265-L282 HydrophobicContact CD2-CD2 4.46Å; L280-L282 HydrophobicContact CD1-CD1 4.21Å; L280-L282 HydrophobicContact CD1-CD2 4.42Å; L280-L282 HydrophobicContact CD1-CG 3.92Å; L280-L282 HydrophobicContact CD2-CD1 3.75Å; L280-L282 HydrophobicContact CD2-CG 4.35Å; L280-L282 HydrophobicContact CG-CD1 3.91Å; L280-L282 HydrophobicContact CG-CG 3.97Å; L282-C285 VanDerWaalsContact C-SG 3.6Å; L282-C285 WeakPolarHBondContact O-CB 3.41Å; L282-C285 PolarHBondContact O-SG 3.37Å; L282-C285 VanDerWaalsContact O-SG 3.38Å; L282-I287 HydrophobicContact CB-CD1 4.01Å; L282-D305 CarbonylContact C-O 3.58Å; L282-D305 WeakPolarHBondContact CA-O 3.47Å; L282-D305 PolarHBondContact N-O 3.3Å; L282-L306 HydrophobicContact CB-CD2 3.83Å; L282-L306 HydrophobicContact CD1-CD2 4.06Å; L282-N309 PolarHBondContact O-ND2 2.92Å
283	S	98.6	Very high	97.4	Very high	12 Å²	12	45 Å²	45	8%	0.084	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	150.2	177.7	62.4	0	0	0	0	111.5	S258 G259 D281 C285 D305 S307	S258-S283 CarbonylContact C-O 3.55Å; S258-S283 WeakPolarHBondContact CA-O 3.36Å; S258-S283 VanDerWaalsContact CB-O 3.29Å; S258-S283 WeakPolarHBondContact CB-O 3.49Å; S258-S283 WeakPolarHBondContact CB-OG 3.27Å; G259-S283 PolarHBondContact N-O 2.99Å; D281-S283 VanDerWaalsContact OD1-CB 3.23Å; D281-S283 WeakPolarHBondContact OD1-CB 3.21Å; D281-S283 PolarHBondContact OD1-N 2.88Å; D281-S283 PolarHBondContact OD1-OG 2.86Å; S283-C285 PolarHBondContact O-N 3.38Å; S283-C285 VanDerWaalsContact O-N 3.14Å; S283-C285 PolarHBondContact O-SG 3.24Å; S283-C285 VanDerWaalsContact O-SG 3.41Å; S283-D305 PolarHBondContact N-O 2.86Å; S283-S307 CarbonylContact C-O 3.27Å; S283-S307 WeakPolarHBondContact CA-O 3.4Å; S283-S307 WeakPolarHBondContact CB-O 3.47Å; S283-S307 WeakPolarHBondContact CB-OG 3.34Å
284	K	98.5	Very high	97.2	Very high	105 Å²	105	45.1 Å²	45.1	46%	0.457	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	29.5	177.9	-57.4	171.8	177.8	168.7	0	114.2	G259 S307 E308	G259-K284 WeakPolarHBondContact CA-O 3.38Å; K284-S307 PolarHBondContact N-O 3.07Å; K284-E308 WeakPolarHBondContact CA-O 3.23Å; K284-E308 WeakPolarHBondContact CE-OE1 3.36Å; K284-E308 WeakPolarHBondContact CE-OE2 3.3Å; K284-E308 HydrophobicContact CG-CB 3.67Å; K284-E308 HydrophobicContact CG-CG 4.45Å; K284-E308 IonicContact NZ-OE1 2.99Å; K284-E308 PolarHBondContact NZ-OE1 2.98Å; K284-E308 IonicContact NZ-OE2 3.82Å
285	C	98.3	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-95	4.8	-176.9	-72.9	0	0	0	0	114.7	L257 N260 L262 A263 L282 S283 I287 N309	L257-C285 PolarHBondContact O-SG 2.9Å; N260-C285 CarbonylContact O-C 3.49Å; N260-C285 WeakPolarHBondContact O-CA 3.09Å; L262-C285 HydrophobicContact CB-CB 4.36Å; L262-C285 HydrophobicContact CD1-CB 4.31Å; L262-C285 PolarHBondContact N-O 2.89Å; A263-C285 PolarHBondContact N-O 2.9Å; L282-C285 VanDerWaalsContact C-SG 3.6Å; L282-C285 WeakPolarHBondContact O-CB 3.41Å; L282-C285 PolarHBondContact O-SG 3.37Å; L282-C285 VanDerWaalsContact O-SG 3.38Å; S283-C285 PolarHBondContact O-N 3.38Å; S283-C285 VanDerWaalsContact O-N 3.14Å; S283-C285 PolarHBondContact O-SG 3.24Å; S283-C285 VanDerWaalsContact O-SG 3.41Å; C285-I287 HydrophobicContact CB-CD1 3.85Å; C285-I287 HydrophobicContact CB-CG1 3.79Å; C285-I287 PolarHBondContact O-N 2.6Å; C285-N309 WeakPolarHBondContact CA-OD1 3.33Å; C285-N309 PolarHBondContact N-OD1 3.28Å
286	M	96.9	Very high	97	Very high	69 Å²	69	33.7 Å²	33.7	34%	0.34	18%	0.181	S	C	.	.			trans	59.5	20.6	-173.9	-58	-167.6	-81.4	0	0	114.9	P261 A263 T288 N309	P261-M286 HydrophobicContact CB-CE 3.09Å; A263-M286 WeakPolarHBondContact CA-O 3.28Å; M286-T288 PolarHBondContact O-N 2.88Å; M286-N309 PolarHBondContact N-OD1 2.83Å
287	I	96.9	Very high	96.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.19	C	C	.	.			trans	-61.6	123	-177.6	-64.2	169.5	0	0	0	110.1	A263 L265 L282 C285 E289 L306 N309 R310 I311	A263-I287 WeakPolarHBondContact O-CA 3.18Å; L265-I287 HydrophobicContact CD1-CD1 4.3Å; L282-I287 HydrophobicContact CB-CD1 4.01Å; C285-I287 HydrophobicContact CB-CD1 3.85Å; C285-I287 HydrophobicContact CB-CG1 3.79Å; C285-I287 PolarHBondContact O-N 2.6Å; I287-E289 WeakPolarHBondContact CG2-O 3.5Å; I287-L306 HydrophobicContact CD1-CD2 3.93Å; I287-N309 HydrophobicContact CB-CB 4.15Å; I287-N309 WeakPolarHBondContact CB-OD1 3.41Å; I287-N309 PolarHBondContact N-OD1 2.84Å; I287-R310 CarbonylContact O-C 3.57Å; I287-R310 VanDerWaalsContact O-C 3.23Å; I287-R310 VanDerWaalsContact O-CA 3.27Å; I287-R310 WeakPolarHBondContact O-CA 3.48Å; I287-R310 WeakPolarHBondContact O-CB 3.21Å; I287-R310 PolarHBondContact O-N 2.78Å; I287-I311 HydrophobicContact CG2-CD1 4.33Å; I287-I311 HydrophobicContact CG2-CG1 4.14Å; I287-I311 PolarHBondContact O-N 3.35Å
288	T	95.8	Very high	96.8	Very high	62 Å²	62	35.3 Å²	35.3	38%	0.38	19%	0.19	S	C	.	.			trans	-92.7	-24.9	-176.8	54.3	0	0	0	0	113.9	A263 M286 R310	A263-T288 PolarHBondContact O-N 3Å; M286-T288 PolarHBondContact O-N 2.88Å; T288-R310 HydrophobicContact CG2-CB 4.11Å
289	E	95.3	Very high	96.7	Very high	134 Å²	134	35.6 Å²	35.6	63%	0.626	20%	0.195	S	C	*	.	S	Bend	trans	-126.5	141.2	-178.2	-66.1	-179.1	-167.5	0	0	110	I287 P291	I287-E289 WeakPolarHBondContact CG2-O 3.5Å; E289-P291 WeakPolarHBondContact O-CD 3.49Å
290	F	97.1	Very high	96.7	Very high	15 Å²	15	33.8 Å²	33.8	7%	0.066	19%	0.19	C	C	.	.			trans	-61.5	121.3	176.2	-172.6	-76.9	0	0	0	109.6	A292 L295 L306 I311 P315 A318 F319 L330	F290-A292 HydrophobicContact CD1-CB 3.89Å; F290-A292 HydrophobicContact CE1-CB 4.14Å; F290-A292 PolarHBondContact O-N 2.77Å; F290-L295 HydrophobicContact CE1-CD1 3.85Å; F290-L295 HydrophobicContact CZ-CD1 3.95Å; F290-L306 HydrophobicContact CD2-CD1 4.1Å; F290-L306 HydrophobicContact CE2-CD1 3.69Å; F290-L306 HydrophobicContact CZ-CD1 4.18Å; F290-I311 HydrophobicContact CB-CG2 4.09Å; F290-I311 HydrophobicContact CD2-CD1 4.49Å; F290-P315 HydrophobicContact CB-CG 4.12Å; F290-P315 HydrophobicContact CD1-CG 4.22Å; F290-P315 HydrophobicContact CG-CG 4.41Å; F290-A318 HydrophobicContact CD1-CB 3.94Å; F290-A318 HydrophobicContact CE1-CB 3.68Å; F290-A318 WeakPolarHBondContact CE1-O 3.49Å; F290-A318 HydrophobicContact CE2-CB 4.43Å; F290-A318 HydrophobicContact CG-CB 4.46Å; F290-A318 HydrophobicContact CZ-CB 3.94Å; F290-F319 AromaticContact CE2-CE1 3.66Å; F290-F319 HydrophobicContact CE2-CE1 3.66Å; F290-F319 AromaticContact CE2-CZ 3.88Å; F290-F319 HydrophobicContact CE2-CZ 3.88Å; F290-F319 AromaticContact CZ-CD1 3.98Å; F290-F319 HydrophobicContact CZ-CD1 3.98Å; F290-F319 AromaticContact CZ-CE1 3.47Å; F290-F319 HydrophobicContact CZ-CE1 3.47Å; F290-F319 VanDerWaalsContact CZ-CE1 3.47Å; F290-F319 HydrophobicContact CZ-CZ 4.02Å; F290-L330 HydrophobicContact CD2-CD2 4.29Å; F290-L330 HydrophobicContact CE2-CD1 4.38Å; F290-L330 HydrophobicContact CE2-CD2 4.27Å
291	P	95.5	Very high	96.7	Very high	14 Å²	14	33.6 Å²	33.6	9%	0.091	19%	0.189	C	C	.	.			trans	-84	54.8	-168.4	32.7	-33.8	0	0	0	112.6	L265 E289 A293 S294 L295 L306	L265-P291 HydrophobicContact CB-CB 4.23Å; L265-P291 HydrophobicContact CD1-CB 3.72Å; L265-P291 HydrophobicContact CD1-CG 3.79Å; E289-P291 WeakPolarHBondContact O-CD 3.49Å; P291-A293 VanDerWaalsContact C-N 3.29Å; P291-A293 PolarHBondContact O-N 2.99Å; P291-S294 PolarHBondContact O-N 2.79Å; P291-S294 VanDerWaalsContact O-N 3.14Å; P291-L295 HydrophobicContact CG-CD1 3.7Å; P291-L295 HydrophobicContact CG-CG 4.06Å; P291-L295 WeakPolarHBondContact O-CG 3.22Å; P291-L295 PolarHBondContact O-N 3.03Å; P291-L306 HydrophobicContact CG-CD2 4.3Å
292	A	95.8	Very high	96.7	Very high	18 Å²	18	35.7 Å²	35.7	15%	0.149	20%	0.196	C	C	.	.	H	α-helix	trans	-57.4	-39.9	-173.2	0	0	0	0	0	112.8	F290 S294 L295 N296 P315	F290-A292 HydrophobicContact CD1-CB 3.89Å; F290-A292 HydrophobicContact CE1-CB 4.14Å; F290-A292 PolarHBondContact O-N 2.77Å; A292-S294 VanDerWaalsContact C-N 3.28Å; A292-S294 PolarHBondContact O-N 3.28Å; A292-L295 PolarHBondContact O-N 2.82Å; A292-N296 WeakPolarHBondContact O-CB 3.49Å; A292-N296 VanDerWaalsContact O-CG 3.26Å; A292-N296 PolarHBondContact O-N 3.43Å; A292-N296 PolarHBondContact O-ND2 3.29Å; A292-P315 HydrophobicContact CB-CG 4.36Å
293	A	92.7	Very high	96.7	Very high	59 Å²	59	37.9 Å²	37.9	49%	0.488	21%	0.21	S	C	.	.	H	α-helix	trans	-62.5	-33.7	-179.1	0	0	0	0	0	113.1	N267 P291	N267-A293 WeakPolarHBondContact OD1-CB 3.49Å; P291-A293 VanDerWaalsContact C-N 3.29Å; P291-A293 PolarHBondContact O-N 2.99Å
294	S	93.8	Very high	96.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-88.7	-27.5	179.7	-50.9	0	0	0	0	112.5	E266 P291 A292 T297	E266-S294 PolarHBondContact O-OG 2.84Å; P291-S294 PolarHBondContact O-N 2.79Å; P291-S294 VanDerWaalsContact O-N 3.14Å; A292-S294 VanDerWaalsContact C-N 3.28Å; A292-S294 PolarHBondContact O-N 3.28Å; S294-T297 PolarHBondContact O-OG1 3.44Å
295	L	96.8	Very high	96.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-85.7	-32.6	-178.9	-67.5	175.5	0	0	0	113.8	L270 L280 F290 P291 A292 T297 L298 L304 L306 M322	L270-L295 HydrophobicContact CD1-CD2 4.1Å; L280-L295 HydrophobicContact CD2-CD2 3.62Å; F290-L295 HydrophobicContact CE1-CD1 3.85Å; F290-L295 HydrophobicContact CZ-CD1 3.95Å; P291-L295 HydrophobicContact CG-CD1 3.7Å; P291-L295 HydrophobicContact CG-CG 4.06Å; P291-L295 WeakPolarHBondContact O-CG 3.22Å; P291-L295 PolarHBondContact O-N 3.03Å; A292-L295 PolarHBondContact O-N 2.82Å; L295-T297 PolarHBondContact O-N 3.29Å; L295-L298 HydrophobicContact CD2-CD1 4Å; L295-L298 WeakPolarHBondContact O-CB 3.41Å; L295-L298 WeakPolarHBondContact O-CG 3.23Å; L295-L298 PolarHBondContact O-N 3.39Å; L295-L304 HydrophobicContact CD1-CD1 4.4Å; L295-L304 HydrophobicContact CD1-CD2 3.67Å; L295-L304 HydrophobicContact CD2-CD1 3.95Å; L295-L304 HydrophobicContact CD2-CD2 4.4Å; L295-L306 HydrophobicContact CD1-CD1 4.16Å; L295-M322 HydrophobicContact CB-CE 4.19Å; L295-M322 HydrophobicContact CB-SD 4.03Å; L295-M322 WeakPolarHBondContact O-CG 3.3Å
296	N	94.4	Very high	96.7	Very high	44 Å²	44	34.3 Å²	34.3	24%	0.235	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-5.4	-173.8	-83.1	-23.2	0	0	0	114.4	A292 N317 A318 S320 G321	A292-N296 WeakPolarHBondContact O-CB 3.49Å; A292-N296 VanDerWaalsContact O-CG 3.26Å; A292-N296 PolarHBondContact O-N 3.43Å; A292-N296 PolarHBondContact O-ND2 3.29Å; N296-N317 PolarHBondContact ND2-O 3.26Å; N296-N317 VanDerWaalsContact ND2-O 3.11Å; N296-A318 PolarHBondContact OD1-O 2.86Å; N296-S320 PolarHBondContact OD1-N 2.79Å; N296-G321 WeakPolarHBondContact O-CA 3.29Å; N296-G321 PolarHBondContact OD1-N 2.63Å; N296-G321 VanDerWaalsContact OD1-N 3.13Å
297	T	94.3	Very high	96.8	Very high	45 Å²	45	31.4 Å²	31.4	28%	0.276	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-13.8	172.6	59.9	0	0	0	0	112.6	E274 S294 L295 T299	E274-T297 WeakPolarHBondContact CA-O 3.35Å; E274-T297 VanDerWaalsContact CB-O 3.24Å; E274-T297 WeakPolarHBondContact CB-O 3.29Å; E274-T297 WeakPolarHBondContact CG-O 3.18Å; S294-T297 PolarHBondContact O-OG1 3.44Å; L295-T297 PolarHBondContact O-N 3.29Å; T297-T299 VanDerWaalsContact C-N 3.33Å; T297-T299 PolarHBondContact O-N 3.13Å
298	L	97.7	Very high	96.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.202	C	C	.	.			trans	-83.8	68.1	-170.9	-53.8	178.6	0	0	0	112.7	L270 L273 L277 L280 L295 S300 L301 M322	L270-L298 HydrophobicContact CB-CD2 4.29Å; L270-L298 HydrophobicContact CD1-CD1 3.97Å; L273-L298 HydrophobicContact CB-CD2 3.82Å; L277-L298 HydrophobicContact CD2-CD1 4.11Å; L280-L298 HydrophobicContact CD2-CD1 3.95Å; L295-L298 HydrophobicContact CD2-CD1 4Å; L295-L298 WeakPolarHBondContact O-CB 3.41Å; L295-L298 WeakPolarHBondContact O-CG 3.23Å; L295-L298 PolarHBondContact O-N 3.39Å; L298-S300 PolarHBondContact O-N 3.14Å; L298-S300 VanDerWaalsContact O-N 3.12Å; L298-L301 HydrophobicContact CB-CB 3.97Å; L298-L301 HydrophobicContact CB-CD2 4.46Å; L298-L301 HydrophobicContact CD1-CD2 4.18Å; L298-L301 WeakPolarHBondContact O-CB 3.42Å; L298-L301 PolarHBondContact O-N 3.03Å; L298-L301 VanDerWaalsContact O-N 3.12Å; L298-M322 HydrophobicContact CB-CG 4.5Å
299	T	97.5	Very high	96.9	Very high	56 Å²	56	33.3 Å²	33.3	34%	0.344	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.9	-175.4	63.4	0	0	0	0	114.6	E274 T297 S323 N324	E274-T299 PolarHBondContact O-N 3.15Å; E274-T299 PolarHBondContact O-OG1 3.39Å; T297-T299 VanDerWaalsContact C-N 3.33Å; T297-T299 PolarHBondContact O-N 3.13Å; T299-S323 PolarHBondContact O-OG 2.72Å; T299-N324 PolarHBondContact O-ND2 3.43Å
300	S	98.3	Very high	97	Very high	29 Å²	29	33.8 Å²	33.8	20%	0.203	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-0.7	-179.1	-60.2	0	0	0	0	114.5	E274 R275 L277 L298 K302	E274-S300 PolarHBondContact O-N 3.29Å; R275-S300 VanDerWaalsContact C-OG 3.27Å; R275-S300 WeakPolarHBondContact CA-OG 3.34Å; R275-S300 PolarHBondContact O-OG 2.93Å; R275-S300 VanDerWaalsContact O-OG 3.08Å; L277-S300 CarbonylContact O-C 3.58Å; L298-S300 PolarHBondContact O-N 3.14Å; L298-S300 VanDerWaalsContact O-N 3.12Å; S300-K302 PolarHBondContact O-N 3.02Å
301	L	98.6	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.			trans	-66.3	130.9	-174.9	-162.9	71.6	0	0	0	110.6	L277 L280 L298 L304 M322 N324 L325	L277-L301 HydrophobicContact CD2-CD1 4.02Å; L277-L301 HydrophobicContact CG-CD1 4.06Å; L277-L301 VanDerWaalsContact O-CA 3.29Å; L277-L301 WeakPolarHBondContact O-CA 3.27Å; L277-L301 PolarHBondContact O-N 3.35Å; L277-L301 VanDerWaalsContact O-N 3.15Å; L280-L301 HydrophobicContact CB-CD1 3.76Å; L298-L301 HydrophobicContact CB-CB 3.97Å; L298-L301 HydrophobicContact CB-CD2 4.46Å; L298-L301 HydrophobicContact CD1-CD2 4.18Å; L298-L301 WeakPolarHBondContact O-CB 3.42Å; L298-L301 PolarHBondContact O-N 3.03Å; L298-L301 VanDerWaalsContact O-N 3.12Å; L301-L304 HydrophobicContact CD2-CB 3.97Å; L301-L304 HydrophobicContact CD2-CD1 4.37Å; L301-M322 HydrophobicContact CD2-CG 4.35Å; L301-M322 HydrophobicContact CD2-SD 3.55Å; L301-M322 VanDerWaalsContact CD2-SD 3.55Å; L301-N324 CarbonylContact O-C 3.47Å; L301-N324 VanDerWaalsContact O-O 3.1Å; L301-L325 HydrophobicContact CD2-CD1 4.11Å; L301-L325 HydrophobicContact CG-CD1 4.21Å; L301-L325 VanDerWaalsContact O-CA 3.22Å; L301-L325 WeakPolarHBondContact O-CA 3.3Å; L301-L325 PolarHBondContact O-N 3.23Å; L301-L325 VanDerWaalsContact O-N 3.08Å
302	K	98.7	Very high	97.2	Very high	86 Å²	86	35.2 Å²	35.2	37%	0.374	19%	0.192	S	C	.	.			trans	-108.8	-38.3	178.8	-63.9	-175.2	178.5	-178.2	0	112.2	M278 S300 L326 K327	M278-K302 HydrophobicContact CB-CG 4.5Å; M278-K302 WeakPolarHBondContact O-CA 3.34Å; M278-K302 WeakPolarHBondContact O-CB 3.4Å; M278-K302 PolarHBondContact O-N 3.3Å; S300-K302 PolarHBondContact O-N 3.02Å; K302-L326 HydrophobicContact CB-CD1 4.35Å; K302-L326 HydrophobicContact CB-CG 4.44Å; K302-L326 HydrophobicContact CD-CD1 4.42Å; K302-L326 HydrophobicContact CG-CD1 4.47Å; K302-L326 WeakPolarHBondContact O-CA 3.2Å; K302-L326 WeakPolarHBondContact O-CB 3.21Å; K302-L326 PolarHBondContact O-N 2.97Å; K302-K327 PolarHBondContact O-N 3.08Å
303	T	98.7	Very high	97.3	Very high	46 Å²	46	36.5 Å²	36.5	28%	0.282	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.1	178.7	69.7	0	0	0	0	111	M278 H279 L280 K327	M278-T303 PolarHBondContact O-N 2.75Å; H279-T303 PolarHBondContact ND1-OG1 3.04Å; L280-T303 PolarHBondContact N-O 3.28Å; T303-K327 WeakPolarHBondContact CA-O 3.28Å; T303-K327 HydrophobicContact CG2-CB 4.23Å
304	L	98.7	Very high	97.5	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.2	175.5	174.6	61.2	0	0	0	109.3	L280 L295 L301 L306 M322 L325 K327 V328 N329	L280-L304 HydrophobicContact CB-CD1 4.26Å; L280-L304 HydrophobicContact CD2-CD1 4Å; L280-L304 HydrophobicContact CG-CD1 4.11Å; L280-L304 WeakPolarHBondContact O-CA 3.39Å; L295-L304 HydrophobicContact CD1-CD1 4.4Å; L295-L304 HydrophobicContact CD1-CD2 3.67Å; L295-L304 HydrophobicContact CD2-CD1 3.95Å; L295-L304 HydrophobicContact CD2-CD2 4.4Å; L301-L304 HydrophobicContact CD2-CB 3.97Å; L301-L304 HydrophobicContact CD2-CD1 4.37Å; L304-L306 HydrophobicContact CD1-CD1 4.36Å; L304-L306 HydrophobicContact CD1-CG 4.06Å; L304-L306 HydrophobicContact CD2-CD1 3.81Å; L304-L306 HydrophobicContact CD2-CG 4.34Å; L304-L306 HydrophobicContact CG-CD1 4.11Å; L304-L306 HydrophobicContact CG-CG 4.08Å; L304-M322 HydrophobicContact CD2-CE 4.24Å; L304-M322 HydrophobicContact CD2-SD 4.12Å; L304-L325 HydrophobicContact CB-CD1 4Å; L304-K327 PolarHBondContact N-O 3.45Å; L304-V328 HydrophobicContact CD2-CG2 4.38Å; L304-V328 CarbonylContact O-C 3.58Å; L304-V328 WeakPolarHBondContact O-CA 3.29Å; L304-N329 PolarHBondContact O-N 2.79Å
305	D	98.7	Very high	97.7	Very high	38 Å²	38	35.1 Å²	35.1	20%	0.203	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.3	169.9	-154.4	-38.2	0	0	0	110.8	L280 D281 L282 S283 S307 N329	L280-D305 PolarHBondContact O-N 2.85Å; D281-D305 HydrophobicContact CB-CB 4.46Å; L282-D305 CarbonylContact C-O 3.58Å; L282-D305 WeakPolarHBondContact CA-O 3.47Å; L282-D305 PolarHBondContact N-O 3.3Å; S283-D305 PolarHBondContact N-O 2.86Å; D305-S307 WeakPolarHBondContact OD1-CB 3.42Å; D305-S307 PolarHBondContact OD1-N 3.32Å; D305-S307 PolarHBondContact OD1-OG 3Å; D305-N329 HydrophobicContact CB-CB 4.41Å; D305-N329 PolarHBondContact OD1-ND2 3.18Å; D305-N329 PolarHBondContact OD2-ND2 2.95Å
306	L	98.5	Very high	97.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.			trans	-123.7	18.6	174.2	-74.9	169.1	0	0	0	110.6	L282 I287 F290 P291 L295 L304 N309 I311 N329 L330 N333	L282-L306 HydrophobicContact CB-CD2 3.83Å; L282-L306 HydrophobicContact CD1-CD2 4.06Å; I287-L306 HydrophobicContact CD1-CD2 3.93Å; F290-L306 HydrophobicContact CD2-CD1 4.1Å; F290-L306 HydrophobicContact CE2-CD1 3.69Å; F290-L306 HydrophobicContact CZ-CD1 4.18Å; P291-L306 HydrophobicContact CG-CD2 4.3Å; L295-L306 HydrophobicContact CD1-CD1 4.16Å; L304-L306 HydrophobicContact CD1-CD1 4.36Å; L304-L306 HydrophobicContact CD1-CG 4.06Å; L304-L306 HydrophobicContact CD2-CD1 3.81Å; L304-L306 HydrophobicContact CD2-CG 4.34Å; L304-L306 HydrophobicContact CG-CD1 4.11Å; L304-L306 HydrophobicContact CG-CG 4.08Å; L306-N309 VanDerWaalsContact C-ND2 3.3Å; L306-N309 PolarHBondContact O-ND2 3.31Å; L306-I311 HydrophobicContact CB-CD1 4.22Å; L306-I311 HydrophobicContact CD1-CD1 4.28Å; L306-I311 HydrophobicContact CD2-CD1 4.45Å; L306-N329 CarbonylContact C-O 3.59Å; L306-N329 WeakPolarHBondContact CA-O 3.49Å; L306-N329 PolarHBondContact N-O 3.47Å; L306-L330 HydrophobicContact CB-CD2 3.74Å; L306-L330 HydrophobicContact CD1-CD2 4.03Å; L306-N333 PolarHBondContact O-ND2 2.81Å
307	S	98.4	Very high	97.6	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.063	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	157.4	-178.3	60.4	0	0	0	0	113.1	S283 K284 D305 N309 N329 E331	S283-S307 CarbonylContact C-O 3.27Å; S283-S307 WeakPolarHBondContact CA-O 3.4Å; S283-S307 WeakPolarHBondContact CB-O 3.47Å; S283-S307 WeakPolarHBondContact CB-OG 3.34Å; K284-S307 PolarHBondContact N-O 3.07Å; D305-S307 WeakPolarHBondContact OD1-CB 3.42Å; D305-S307 PolarHBondContact OD1-N 3.32Å; D305-S307 PolarHBondContact OD1-OG 3Å; S307-N309 PolarHBondContact O-N 2.88Å; S307-N309 PolarHBondContact O-ND2 2.8Å; S307-N329 WeakPolarHBondContact CB-ND2 3.24Å; S307-N329 PolarHBondContact N-O 3.27Å; S307-N329 PolarHBondContact OG-ND2 2.69Å; S307-E331 CarbonylContact C-O 3.52Å; S307-E331 WeakPolarHBondContact CA-O 3.29Å; S307-E331 WeakPolarHBondContact CB-O 3.38Å
308	E	98	Very high	97.8	Very high	95 Å²	95	41.3 Å²	41.3	44%	0.444	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	36.2	177	-58.8	-176.1	-113.1	0	0	113.2	K284 E331	K284-E308 WeakPolarHBondContact CA-O 3.23Å; K284-E308 WeakPolarHBondContact CE-OE1 3.36Å; K284-E308 WeakPolarHBondContact CE-OE2 3.3Å; K284-E308 HydrophobicContact CG-CB 3.67Å; K284-E308 HydrophobicContact CG-CG 4.45Å; K284-E308 IonicContact NZ-OE1 2.99Å; K284-E308 PolarHBondContact NZ-OE1 2.98Å; K284-E308 IonicContact NZ-OE2 3.82Å; E308-E331 PolarHBondContact N-O 3.14Å
309	N	98.2	Very high	97.7	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.043	20%	0.203	C	C	.	.	S	Bend	trans	-103	-165.1	171.9	-80.3	-65.3	0	0	0	110.6	L282 C285 M286 I287 L306 S307 I311 N333	L282-N309 PolarHBondContact O-ND2 2.92Å; C285-N309 WeakPolarHBondContact CA-OD1 3.33Å; C285-N309 PolarHBondContact N-OD1 3.28Å; M286-N309 PolarHBondContact N-OD1 2.83Å; I287-N309 HydrophobicContact CB-CB 4.15Å; I287-N309 WeakPolarHBondContact CB-OD1 3.41Å; I287-N309 PolarHBondContact N-OD1 2.84Å; L306-N309 VanDerWaalsContact C-ND2 3.3Å; L306-N309 PolarHBondContact O-ND2 3.31Å; S307-N309 PolarHBondContact O-N 2.88Å; S307-N309 PolarHBondContact O-ND2 2.8Å; N309-I311 HydrophobicContact CB-CD1 4.4Å; N309-I311 HydrophobicContact CB-CG1 4.26Å; N309-N333 VanDerWaalsContact CA-OD1 3.26Å; N309-N333 WeakPolarHBondContact CA-OD1 3.44Å; N309-N333 WeakPolarHBondContact CB-OD1 3.18Å; N309-N333 PolarHBondContact N-OD1 3.36Å; N309-N333 PolarHBondContact O-OD1 2.84Å
310	R	97.4	Very high	97.5	Very high	144 Å²	144	40.7 Å²	40.7	54%	0.543	20%	0.201	S	C	.	.			trans	-117.6	24.8	-177.9	-61.8	-178.4	-179.4	176.2	3.3	112	I287 T288 T312 N333	I287-R310 CarbonylContact O-C 3.57Å; I287-R310 VanDerWaalsContact O-C 3.23Å; I287-R310 VanDerWaalsContact O-CA 3.27Å; I287-R310 WeakPolarHBondContact O-CA 3.48Å; I287-R310 WeakPolarHBondContact O-CB 3.21Å; I287-R310 PolarHBondContact O-N 2.78Å; T288-R310 HydrophobicContact CG2-CB 4.11Å; R310-T312 PolarHBondContact O-N 2.71Å; R310-N333 PolarHBondContact N-OD1 3.27Å
311	I	97.8	Very high	97.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.			trans	-68.8	123.8	-176.9	-59.7	170.4	0	0	0	109.5	I287 F290 L306 N309 V313 L330 N333 P334 I335	I287-I311 HydrophobicContact CG2-CD1 4.33Å; I287-I311 HydrophobicContact CG2-CG1 4.14Å; I287-I311 PolarHBondContact O-N 3.35Å; F290-I311 HydrophobicContact CB-CG2 4.09Å; F290-I311 HydrophobicContact CD2-CD1 4.49Å; L306-I311 HydrophobicContact CB-CD1 4.22Å; L306-I311 HydrophobicContact CD1-CD1 4.28Å; L306-I311 HydrophobicContact CD2-CD1 4.45Å; N309-I311 HydrophobicContact CB-CD1 4.4Å; N309-I311 HydrophobicContact CB-CG1 4.26Å; I311-V313 WeakPolarHBondContact CG2-O 3.45Å; I311-L330 HydrophobicContact CD1-CD2 4.06Å; I311-N333 HydrophobicContact CB-CB 4.29Å; I311-N333 WeakPolarHBondContact CB-OD1 3.31Å; I311-N333 PolarHBondContact N-OD1 3.12Å; I311-P334 CarbonylContact O-C 3.58Å; I311-P334 WeakPolarHBondContact O-CD 3.48Å; I311-I335 HydrophobicContact CG2-CG1 4.49Å; I311-I335 WeakPolarHBondContact O-CG1 3.22Å; I311-I335 PolarHBondContact O-N 3.3Å
312	T	97.5	Very high	97.2	Very high	59 Å²	59	40.1 Å²	40.1	36%	0.362	20%	0.2	S	C	.	.			trans	-100.8	-26.4	178	56.3	0	0	0	0	113.2	R310 P334 I335 N336 V337	R310-T312 PolarHBondContact O-N 2.71Å; T312-P334 HydrophobicContact CG2-CG 4.11Å; T312-I335 CarbonylContact O-C 3.43Å; T312-I335 WeakPolarHBondContact O-CA 3.49Å; T312-N336 PolarHBondContact O-N 3.05Å; T312-N336 PolarHBondContact O-OD1 2.9Å; T312-V337 PolarHBondContact O-N 3.29Å
313	V	97.7	Very high	97.1	Very high	45 Å²	45	39.1 Å²	39.1	27%	0.273	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.1	-174.7	-174.1	0	0	0	0	110.7	I311 P315 V337 E339	I311-V313 WeakPolarHBondContact CG2-O 3.45Å; V313-P315 WeakPolarHBondContact O-CD 3.38Å; V313-V337 WeakPolarHBondContact CA-O 3.25Å; V313-V337 HydrophobicContact CG1-CB 4.25Å; V313-V337 HydrophobicContact CG1-CG1 4.21Å; V313-V337 HydrophobicContact CG2-CB 4.21Å; V313-E339 HydrophobicContact CG1-CG 3.96Å
314	I	97.6	Very high	97	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	108.5	161.3	-52.4	-177.5	0	0	0	107.5	A318 F319 L330 I335 V337 I338 E339 A342 F343 F351	I314-A318 HydrophobicContact CG2-CB 3.74Å; I314-F319 HydrophobicContact CG2-CE2 3.96Å; I314-F319 HydrophobicContact CG2-CZ 4.21Å; I314-L330 HydrophobicContact CD1-CD1 3.97Å; I314-I335 HydrophobicContact CD1-CD1 4.18Å; I314-I335 HydrophobicContact CD1-CG2 4.48Å; I314-I335 HydrophobicContact CG1-CD1 4.21Å; I314-I335 HydrophobicContact CG1-CG2 4.18Å; I314-V337 PolarHBondContact N-O 3.27Å; I314-I338 HydrophobicContact CB-CG1 4.42Å; I314-I338 HydrophobicContact CB-CG2 4.31Å; I314-I338 HydrophobicContact CD1-CD1 4.23Å; I314-I338 HydrophobicContact CD1-CG1 4.07Å; I314-I338 HydrophobicContact CG1-CG1 4.35Å; I314-E339 PolarHBondContact O-N 3.17Å; I314-A342 HydrophobicContact CG2-CB 3.87Å; I314-F343 HydrophobicContact CD1-CZ 4.39Å; I314-F351 HydrophobicContact CD1-CE2 4.28Å; I314-F351 HydrophobicContact CD1-CZ 3.8Å
315	P	97.2	Very high	97	Very high	31 Å²	31	40.9 Å²	40.9	20%	0.201	21%	0.211	C	C	.	.			trans	-77	166.6	-172.8	32.3	-36.8	0	0	0	112.1	F290 A292 V313 A318 E339 A342	F290-P315 HydrophobicContact CB-CG 4.12Å; F290-P315 HydrophobicContact CD1-CG 4.22Å; F290-P315 HydrophobicContact CG-CG 4.41Å; A292-P315 HydrophobicContact CB-CG 4.36Å; V313-P315 WeakPolarHBondContact O-CD 3.38Å; P315-A318 HydrophobicContact CG-CB 4.12Å; P315-A318 WeakPolarHBondContact O-CB 3.38Å; P315-A318 PolarHBondContact O-N 3.32Å; P315-E339 VanDerWaalsContact CA-OE2 3.3Å; P315-E339 WeakPolarHBondContact CA-OE2 3.42Å; P315-A342 VanDerWaalsContact O-CA 3.28Å; P315-A342 WeakPolarHBondContact O-CA 3.06Å; P315-A342 WeakPolarHBondContact O-CB 3.44Å
316	R	95.5	Very high	96.9	Very high	162 Å²	162	44.2 Å²	44.2	61%	0.611	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	140	170.1	-174.7	176.7	-179.2	-167.6	3.7	110.7	A318 E339 Q340	R316-A318 PolarHBondContact O-N 2.67Å; R316-E339 PolarHBondContact N-OE2 3.14Å; R316-Q340 WeakPolarHBondContact CG-O 3.14Å
317	N	95	Very high	96.9	Very high	57 Å²	57	50.4 Å²	50.4	31%	0.305	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	29.7	-179.6	-53	-38.3	0	0	0	113.9	N296 F319 S320 G341	N296-N317 PolarHBondContact ND2-O 3.26Å; N296-N317 VanDerWaalsContact ND2-O 3.11Å; N317-F319 PolarHBondContact O-N 2.98Å; N317-F319 VanDerWaalsContact O-N 3.14Å; N317-S320 PolarHBondContact O-N 3.23Å; N317-S320 PolarHBondContact O-OG 3.22Å; N317-G341 PolarHBondContact N-O 3.22Å
318	A	97.1	Very high	96.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.3	-178.5	0	0	0	0	0	112.9	F290 N296 I314 P315 R316 A342	F290-A318 HydrophobicContact CD1-CB 3.94Å; F290-A318 HydrophobicContact CE1-CB 3.68Å; F290-A318 WeakPolarHBondContact CE1-O 3.49Å; F290-A318 HydrophobicContact CE2-CB 4.43Å; F290-A318 HydrophobicContact CG-CB 4.46Å; F290-A318 HydrophobicContact CZ-CB 3.94Å; N296-A318 PolarHBondContact OD1-O 2.86Å; I314-A318 HydrophobicContact CG2-CB 3.74Å; P315-A318 HydrophobicContact CG-CB 4.12Å; P315-A318 WeakPolarHBondContact O-CB 3.38Å; P315-A318 PolarHBondContact O-N 3.32Å; R316-A318 PolarHBondContact O-N 2.67Å; A318-A342 PolarHBondContact N-O 3.45Å
319	F	96.4	Very high	96.9	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	4.2	-173.9	-50.2	-73.8	0	0	0	114.4	F290 I314 N317 G321 M322 L325 V328 L330 F343 A346 F348	F290-F319 AromaticContact CE2-CE1 3.66Å; F290-F319 HydrophobicContact CE2-CE1 3.66Å; F290-F319 AromaticContact CE2-CZ 3.88Å; F290-F319 HydrophobicContact CE2-CZ 3.88Å; F290-F319 AromaticContact CZ-CD1 3.98Å; F290-F319 HydrophobicContact CZ-CD1 3.98Å; F290-F319 AromaticContact CZ-CE1 3.47Å; F290-F319 HydrophobicContact CZ-CE1 3.47Å; F290-F319 VanDerWaalsContact CZ-CE1 3.47Å; F290-F319 HydrophobicContact CZ-CZ 4.02Å; I314-F319 HydrophobicContact CG2-CE2 3.96Å; I314-F319 HydrophobicContact CG2-CZ 4.21Å; N317-F319 PolarHBondContact O-N 2.98Å; N317-F319 VanDerWaalsContact O-N 3.14Å; F319-G321 VanDerWaalsContact C-N 3.27Å; F319-G321 PolarHBondContact O-N 3.08Å; F319-G321 VanDerWaalsContact O-N 3.15Å; F319-M322 HydrophobicContact CB-CE 4.16Å; F319-M322 HydrophobicContact CD1-CE 3.72Å; F319-M322 HydrophobicContact CG-CE 4.41Å; F319-M322 PolarHBondContact O-N 3.4Å; F319-L325 HydrophobicContact CD1-CD2 4.01Å; F319-V328 HydrophobicContact CE1-CB 4.46Å; F319-V328 HydrophobicContact CE1-CG2 3.91Å; F319-V328 HydrophobicContact CZ-CG2 4.48Å; F319-L330 HydrophobicContact CZ-CD1 4.06Å; F319-F343 AromaticContact CD2-CD1 3.85Å; F319-F343 HydrophobicContact CD2-CD1 3.85Å; F319-F343 HydrophobicContact CD2-CE1 4.16Å; F319-F343 AromaticContact CE2-CD1 3.71Å; F319-F343 HydrophobicContact CE2-CD1 3.71Å; F319-F343 AromaticContact CE2-CE1 3.53Å; F319-F343 HydrophobicContact CE2-CE1 3.53Å; F319-F343 HydrophobicContact CE2-CZ 4.23Å; F319-F343 HydrophobicContact CZ-CE1 4.34Å; F319-A346 HydrophobicContact CB-CB 4.24Å; F319-F348 HydrophobicContact CB-CE1 4.27Å; F319-F348 HydrophobicContact CD1-CE1 4Å; F319-F348 HydrophobicContact CD2-CE1 4.12Å; F319-F348 HydrophobicContact CD2-CZ 4.1Å; F319-F348 HydrophobicContact CE1-CE1 4.42Å; F319-F348 HydrophobicContact CE2-CZ 4.17Å; F319-F348 AromaticContact CG-CE1 3.85Å; F319-F348 HydrophobicContact CG-CE1 3.85Å; F319-F348 HydrophobicContact CG-CZ 4.29Å; F319-F348 HydrophobicContact CZ-CZ 4.43Å
320	S	93.9	Very high	96.9	Very high	41 Å²	41	47.7 Å²	47.7	29%	0.287	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.7	-162.1	62.6	0	0	0	0	114.9	N296 N317	N296-S320 PolarHBondContact OD1-N 2.79Å; N317-S320 PolarHBondContact O-N 3.23Å; N317-S320 PolarHBondContact O-OG 3.22Å
321	G	94.2	Very high	96.8	Very high	18 Å²	18	43.4 Å²	43.4	19%	0.186	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-16.4	-177.4	0	0	0	0	0	115.2	N296 F319 S323	N296-G321 WeakPolarHBondContact O-CA 3.29Å; N296-G321 PolarHBondContact OD1-N 2.63Å; N296-G321 VanDerWaalsContact OD1-N 3.13Å; F319-G321 VanDerWaalsContact C-N 3.27Å; F319-G321 PolarHBondContact O-N 3.08Å; F319-G321 VanDerWaalsContact O-N 3.15Å; G321-S323 VanDerWaalsContact C-N 3.31Å; G321-S323 PolarHBondContact O-N 3.44Å; G321-S323 VanDerWaalsContact O-N 3.07Å
322	M	97.1	Very high	96.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.			trans	-88.2	68.5	-177.8	-62	175.7	-79	0	0	110.3	L295 L298 L301 L304 F319 N324 L325 T347	L295-M322 HydrophobicContact CB-CE 4.19Å; L295-M322 HydrophobicContact CB-SD 4.03Å; L295-M322 WeakPolarHBondContact O-CG 3.3Å; L298-M322 HydrophobicContact CB-CG 4.5Å; L301-M322 HydrophobicContact CD2-CG 4.35Å; L301-M322 HydrophobicContact CD2-SD 3.55Å; L301-M322 VanDerWaalsContact CD2-SD 3.55Å; L304-M322 HydrophobicContact CD2-CE 4.24Å; L304-M322 HydrophobicContact CD2-SD 4.12Å; F319-M322 HydrophobicContact CB-CE 4.16Å; F319-M322 HydrophobicContact CD1-CE 3.72Å; F319-M322 HydrophobicContact CG-CE 4.41Å; F319-M322 PolarHBondContact O-N 3.4Å; M322-N324 PolarHBondContact O-N 3.21Å; M322-L325 HydrophobicContact CB-CB 3.9Å; M322-L325 HydrophobicContact CB-CD2 4.28Å; M322-L325 HydrophobicContact CE-CD2 3.93Å; M322-L325 VanDerWaalsContact O-CB 3.3Å; M322-L325 WeakPolarHBondContact O-CB 3.23Å; M322-L325 PolarHBondContact O-N 2.84Å; M322-L325 HydrophobicContact SD-CD1 4.44Å; M322-L325 HydrophobicContact SD-CD2 4.08Å; M322-T347 PolarHBondContact O-OG1 2.74Å
323	S	95	Very high	96.8	Very high	64 Å²	64	43.2 Å²	43.2	45%	0.448	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-3.8	-169.8	59.9	0	0	0	0	116.5	T299 G321	T299-S323 PolarHBondContact O-OG 2.72Å; G321-S323 VanDerWaalsContact C-N 3.31Å; G321-S323 PolarHBondContact O-N 3.44Å; G321-S323 VanDerWaalsContact O-N 3.07Å
324	N	97.4	Very high	96.8	Very high	86 Å²	86	43.2 Å²	43.2	46%	0.46	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	13.8	175.9	-70.8	-76.9	0	0	0	112.6	T299 L301 M322 L326	T299-N324 PolarHBondContact O-ND2 3.43Å; L301-N324 CarbonylContact O-C 3.47Å; L301-N324 VanDerWaalsContact O-O 3.1Å; M322-N324 PolarHBondContact O-N 3.21Å; N324-L326 WeakPolarHBondContact O-CG 3.47Å; N324-L326 PolarHBondContact O-N 2.77Å
325	L	98.1	Very high	96.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.232	C	C	.	.			trans	-67.7	122.4	-176.2	-167.7	66.2	0	0	0	110.3	L301 L304 F319 M322 V328 T347 F348	L301-L325 HydrophobicContact CD2-CD1 4.11Å; L301-L325 HydrophobicContact CG-CD1 4.21Å; L301-L325 VanDerWaalsContact O-CA 3.22Å; L301-L325 WeakPolarHBondContact O-CA 3.3Å; L301-L325 PolarHBondContact O-N 3.23Å; L301-L325 VanDerWaalsContact O-N 3.08Å; L304-L325 HydrophobicContact CB-CD1 4Å; F319-L325 HydrophobicContact CD1-CD2 4.01Å; M322-L325 HydrophobicContact CB-CB 3.9Å; M322-L325 HydrophobicContact CB-CD2 4.28Å; M322-L325 HydrophobicContact CE-CD2 3.93Å; M322-L325 VanDerWaalsContact O-CB 3.3Å; M322-L325 WeakPolarHBondContact O-CB 3.23Å; M322-L325 PolarHBondContact O-N 2.84Å; M322-L325 HydrophobicContact SD-CD1 4.44Å; M322-L325 HydrophobicContact SD-CD2 4.08Å; L325-V328 HydrophobicContact CD2-CB 4.48Å; L325-T347 WeakPolarHBondContact CA-OG1 3.36Å; L325-T347 PolarHBondContact N-OG1 3.33Å; L325-T347 CarbonylContact O-C 3.58Å; L325-T347 VanDerWaalsContact O-C 3.29Å; L325-T347 PolarHBondContact O-OG1 3.36Å; L325-F348 HydrophobicContact CD2-CD1 3.87Å; L325-F348 HydrophobicContact CD2-CE1 4.02Å; L325-F348 HydrophobicContact CG-CD1 4.18Å; L325-F348 PolarHBondContact O-N 2.76Å
326	L	97.6	Very high	96.8	Very high	108 Å²	108	45.7 Å²	45.7	57%	0.565	24%	0.243	S	C	*	.			trans	-105.5	-31.5	-178.8	-57.1	179.8	0	0	0	112	K302 N324 F348	K302-L326 HydrophobicContact CB-CD1 4.35Å; K302-L326 HydrophobicContact CB-CG 4.44Å; K302-L326 HydrophobicContact CD-CD1 4.42Å; K302-L326 HydrophobicContact CG-CD1 4.47Å; K302-L326 WeakPolarHBondContact O-CA 3.2Å; K302-L326 WeakPolarHBondContact O-CB 3.21Å; K302-L326 PolarHBondContact O-N 2.97Å; N324-L326 WeakPolarHBondContact O-CG 3.47Å; N324-L326 PolarHBondContact O-N 2.77Å; L326-F348 VanDerWaalsContact O-CB 3.29Å; L326-F348 WeakPolarHBondContact O-CB 3.16Å
327	K	97.6	Very high	96.8	Very high	130 Å²	130	41.2 Å²	41.2	57%	0.565	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	132.6	-177.8	-170.9	178.8	178.7	-174.2	0	111	K302 T303 L304	K302-K327 PolarHBondContact O-N 3.08Å; T303-K327 WeakPolarHBondContact CA-O 3.28Å; T303-K327 HydrophobicContact CG2-CB 4.23Å; L304-K327 PolarHBondContact N-O 3.45Å
328	V	98	Very high	96.8	Very high	11 Å²	11	39.2 Å²	39.2	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.3	167.9	60.8	0	0	0	0	109.1	L304 F319 L325 L330 F348 F351	L304-V328 HydrophobicContact CD2-CG2 4.38Å; L304-V328 CarbonylContact O-C 3.58Å; L304-V328 WeakPolarHBondContact O-CA 3.29Å; F319-V328 HydrophobicContact CE1-CB 4.46Å; F319-V328 HydrophobicContact CE1-CG2 3.91Å; F319-V328 HydrophobicContact CZ-CG2 4.48Å; L325-V328 HydrophobicContact CD2-CB 4.48Å; V328-L330 HydrophobicContact CG2-CD1 3.96Å; V328-L330 HydrophobicContact CG2-CG 3.98Å; V328-F348 HydrophobicContact CG1-CD1 4.24Å; V328-F348 HydrophobicContact CG1-CD2 4.25Å; V328-F348 HydrophobicContact CG1-CE1 3.87Å; V328-F348 HydrophobicContact CG1-CE2 3.88Å; V328-F348 HydrophobicContact CG1-CG 4.41Å; V328-F348 HydrophobicContact CG1-CZ 3.67Å; V328-F351 HydrophobicContact CG1-CD2 4.41Å
329	N	98.3	Very high	96.7	Very high	38 Å²	38	43.2 Å²	43.2	20%	0.203	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.7	170.2	-174	9.2	0	0	0	109.4	L304 D305 L306 S307 E331	L304-N329 PolarHBondContact O-N 2.79Å; D305-N329 HydrophobicContact CB-CB 4.41Å; D305-N329 PolarHBondContact OD1-ND2 3.18Å; D305-N329 PolarHBondContact OD2-ND2 2.95Å; L306-N329 CarbonylContact C-O 3.59Å; L306-N329 WeakPolarHBondContact CA-O 3.49Å; L306-N329 PolarHBondContact N-O 3.47Å; S307-N329 WeakPolarHBondContact CB-ND2 3.24Å; S307-N329 PolarHBondContact N-O 3.27Å; S307-N329 PolarHBondContact OG-ND2 2.69Å; N329-E331 VanDerWaalsContact OD1-CB 3.27Å; N329-E331 WeakPolarHBondContact OD1-CB 3.38Å; N329-E331 PolarHBondContact OD1-N 3.36Å; N329-E331 VanDerWaalsContact OD1-N 3.12Å
330	L	97.8	Very high	96.5	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.031	27%	0.265	C	S	.	.			trans	-124.2	14.5	177.7	-79.8	162.6	0	0	0	111.5	F290 L306 I311 I314 F319 V328 N333 I335 F351	F290-L330 HydrophobicContact CD2-CD2 4.29Å; F290-L330 HydrophobicContact CE2-CD1 4.38Å; F290-L330 HydrophobicContact CE2-CD2 4.27Å; L306-L330 HydrophobicContact CB-CD2 3.74Å; L306-L330 HydrophobicContact CD1-CD2 4.03Å; I311-L330 HydrophobicContact CD1-CD2 4.06Å; I314-L330 HydrophobicContact CD1-CD1 3.97Å; F319-L330 HydrophobicContact CZ-CD1 4.06Å; V328-L330 HydrophobicContact CG2-CD1 3.96Å; V328-L330 HydrophobicContact CG2-CG 3.98Å; L330-N333 PolarHBondContact O-ND2 2.84Å; L330-I335 HydrophobicContact CB-CD1 4.15Å; L330-F351 HydrophobicContact CD1-CE2 4.08Å
331	E	96.9	Very high	96.3	Very high	54 Å²	54	46.7 Å²	46.7	25%	0.252	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	147.8	-178.6	177.3	169.7	177.5	0	0	112.2	S307 E308 N329 N333 R354	S307-E331 CarbonylContact C-O 3.52Å; S307-E331 WeakPolarHBondContact CA-O 3.29Å; S307-E331 WeakPolarHBondContact CB-O 3.38Å; E308-E331 PolarHBondContact N-O 3.14Å; N329-E331 VanDerWaalsContact OD1-CB 3.27Å; N329-E331 WeakPolarHBondContact OD1-CB 3.38Å; N329-E331 PolarHBondContact OD1-N 3.36Å; N329-E331 VanDerWaalsContact OD1-N 3.12Å; E331-N333 PolarHBondContact O-N 2.94Å; E331-N333 PolarHBondContact O-ND2 3.16Å; E331-R354 HydrophobicContact CB-CB 4.43Å; E331-R354 HydrophobicContact CG-CB 4.01Å; E331-R354 HydrophobicContact CG-CG 4.01Å; E331-R354 VanDerWaalsContact OE1-CD 3.23Å; E331-R354 WeakPolarHBondContact OE1-CD 3.49Å; E331-R354 IonicContact OE1-CZ 3.19Å; E331-R354 IonicContact OE1-NE 2.74Å; E331-R354 PolarHBondContact OE1-NE 2.89Å; E331-R354 IonicContact OE1-NH1 2.84Å; E331-R354 PolarHBondContact OE1-NH1 3.05Å; E331-R354 IonicContact OE2-NH1 3.35Å
332	S	96.7	Very high	96.3	Very high	52 Å²	52	45.8 Å²	45.8	36%	0.364	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	36.1	175.9	-62	0	0	0	0	113.4	R354	S332-R354 PolarHBondContact N-O 3.33Å
333	N	98.1	Very high	96.2	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.011	25%	0.246	C	C	.	.			trans	-107.7	142.4	165.6	-79.3	-85.7	0	0	0	110	L306 N309 R310 I311 L330 E331 I335	L306-N333 PolarHBondContact O-ND2 2.81Å; N309-N333 VanDerWaalsContact CA-OD1 3.26Å; N309-N333 WeakPolarHBondContact CA-OD1 3.44Å; N309-N333 WeakPolarHBondContact CB-OD1 3.18Å; N309-N333 PolarHBondContact N-OD1 3.36Å; N309-N333 PolarHBondContact O-OD1 2.84Å; R310-N333 PolarHBondContact N-OD1 3.27Å; I311-N333 HydrophobicContact CB-CB 4.29Å; I311-N333 WeakPolarHBondContact CB-OD1 3.31Å; I311-N333 PolarHBondContact N-OD1 3.12Å; L330-N333 PolarHBondContact O-ND2 2.84Å; E331-N333 PolarHBondContact O-N 2.94Å; E331-N333 PolarHBondContact O-ND2 3.16Å; N333-I335 HydrophobicContact CB-CD1 3.92Å; N333-I335 HydrophobicContact CB-CG1 3.78Å; N333-I335 PolarHBondContact O-N 3.27Å
334	P	97	Very high	96	Very high	45 Å²	45	44.1 Å²	44.1	29%	0.292	23%	0.233	S	C	.	.			trans	-74.8	43.4	178.2	34.7	-37.9	0	0	0	113.1	I311 T312 N336 K357	I311-P334 CarbonylContact O-C 3.58Å; I311-P334 WeakPolarHBondContact O-CD 3.48Å; T312-P334 HydrophobicContact CG2-CG 4.11Å; P334-N336 PolarHBondContact O-N 2.88Å; P334-K357 HydrophobicContact CB-CG 3.89Å
335	I	97.8	Very high	95.7	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.238	C	C	.	.			trans	-61.4	120.3	-178.1	-62.9	164.9	0	0	0	108.8	I311 T312 I314 L330 N333 I338 K357 M358	I311-I335 HydrophobicContact CG2-CG1 4.49Å; I311-I335 WeakPolarHBondContact O-CG1 3.22Å; I311-I335 PolarHBondContact O-N 3.3Å; T312-I335 CarbonylContact O-C 3.43Å; T312-I335 WeakPolarHBondContact O-CA 3.49Å; I314-I335 HydrophobicContact CD1-CD1 4.18Å; I314-I335 HydrophobicContact CD1-CG2 4.48Å; I314-I335 HydrophobicContact CG1-CD1 4.21Å; I314-I335 HydrophobicContact CG1-CG2 4.18Å; L330-I335 HydrophobicContact CB-CD1 4.15Å; N333-I335 HydrophobicContact CB-CD1 3.92Å; N333-I335 HydrophobicContact CB-CG1 3.78Å; N333-I335 PolarHBondContact O-N 3.27Å; I335-I338 HydrophobicContact CG2-CG1 4.28Å; I335-K357 CarbonylContact O-C 3.11Å; I335-K357 WeakPolarHBondContact O-CA 3.42Å; I335-K357 PolarHBondContact O-N 2.72Å; I335-M358 PolarHBondContact O-N 3.26Å
336	N	96.7	Very high	95.6	Very high	82 Å²	82	45.9 Å²	45.9	44%	0.439	24%	0.238	S	C	.	.			trans	-119.2	-15.7	177.7	65.2	-1.6	0	0	0	113	T312 P334 K357	T312-N336 PolarHBondContact O-N 3.05Å; T312-N336 PolarHBondContact O-OD1 2.9Å; P334-N336 PolarHBondContact O-N 2.88Å; N336-K357 HydrophobicContact CB-CB 4.25Å
337	V	96	Very high	95.4	Very high	67 Å²	67	42.8 Å²	42.8	41%	0.406	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.3	178.7	179.1	0	0	0	0	110.1	T312 V313 I314 E339	T312-V337 PolarHBondContact O-N 3.29Å; V313-V337 WeakPolarHBondContact CA-O 3.25Å; V313-V337 HydrophobicContact CG1-CB 4.25Å; V313-V337 HydrophobicContact CG1-CG1 4.21Å; V313-V337 HydrophobicContact CG2-CB 4.21Å; I314-V337 PolarHBondContact N-O 3.27Å; V337-E339 HydrophobicContact CG1-CG 4.41Å
338	I	96.2	Very high	95.3	Very high	15 Å²	15	36.6 Å²	36.6	8%	0.077	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.3	163.9	-57.8	-179.3	0	0	0	105.6	I314 I335 A342 F343 F351 M358 L361 T365	I314-I338 HydrophobicContact CB-CG1 4.42Å; I314-I338 HydrophobicContact CB-CG2 4.31Å; I314-I338 HydrophobicContact CD1-CD1 4.23Å; I314-I338 HydrophobicContact CD1-CG1 4.07Å; I314-I338 HydrophobicContact CG1-CG1 4.35Å; I335-I338 HydrophobicContact CG2-CG1 4.28Å; I338-A342 HydrophobicContact CG2-CB 3.71Å; I338-F343 HydrophobicContact CG2-CD2 4.4Å; I338-F343 HydrophobicContact CG2-CE2 3.7Å; I338-F351 HydrophobicContact CD1-CE1 4.21Å; I338-M358 HydrophobicContact CD1-SD 3.98Å; I338-M358 HydrophobicContact CG1-SD 4.13Å; I338-L361 HydrophobicContact CD1-CD1 4.41Å; I338-T365 HydrophobicContact CB-CG2 4.09Å; I338-T365 HydrophobicContact CG2-CG2 3.98Å; I338-T365 WeakPolarHBondContact O-CG2 3.11Å
339	E	95.1	Very high	95.2	Very high	85 Å²	85	40.2 Å²	40.2	40%	0.397	22%	0.216	S	C	.	.			trans	-72.6	154.4	-178.9	-67.3	-173	165.5	0	0	111.9	V313 I314 P315 R316 V337 G341 A342	V313-E339 HydrophobicContact CG1-CG 3.96Å; I314-E339 PolarHBondContact O-N 3.17Å; P315-E339 VanDerWaalsContact CA-OE2 3.3Å; P315-E339 WeakPolarHBondContact CA-OE2 3.42Å; R316-E339 PolarHBondContact N-OE2 3.14Å; V337-E339 HydrophobicContact CG1-CG 4.41Å; E339-G341 PolarHBondContact O-N 3.23Å; E339-A342 WeakPolarHBondContact O-CB 3.42Å; E339-A342 PolarHBondContact O-N 3.24Å
340	Q	90.6	Very high	95.2	Very high	108 Å²	108	40.2 Å²	40.2	51%	0.505	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	128.7	174.5	-169.5	-170.7	20.8	0	0	110.5	R316 A342 E364	R316-Q340 WeakPolarHBondContact CG-O 3.14Å; Q340-A342 VanDerWaalsContact C-N 3.3Å; Q340-E364 HydrophobicContact CG-CG 4.22Å; Q340-E364 PolarHBondContact NE2-OE1 2.7Å
341	G	90.2	Very high	95.1	Very high	6 Å²	6	40 Å²	40	6%	0.062	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	20.9	-177.3	0	0	0	0	0	114	N317 E339 F343 V344	N317-G341 PolarHBondContact N-O 3.22Å; E339-G341 PolarHBondContact O-N 3.23Å; G341-F343 PolarHBondContact O-N 3.48Å; G341-V344 WeakPolarHBondContact O-CB 2.9Å; G341-V344 WeakPolarHBondContact O-CG2 3.31Å; G341-V344 PolarHBondContact O-N 2.69Å
342	A	94.9	Very high	95.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-37.6	170.8	0	0	0	0	0	112.7	I314 P315 A318 I338 E339 Q340	I314-A342 HydrophobicContact CG2-CB 3.87Å; P315-A342 VanDerWaalsContact O-CA 3.28Å; P315-A342 WeakPolarHBondContact O-CA 3.06Å; P315-A342 WeakPolarHBondContact O-CB 3.44Å; A318-A342 PolarHBondContact N-O 3.45Å; I338-A342 HydrophobicContact CG2-CB 3.71Å; E339-A342 WeakPolarHBondContact O-CB 3.42Å; E339-A342 PolarHBondContact O-N 3.24Å; Q340-A342 VanDerWaalsContact C-N 3.3Å
343	F	94.1	Very high	95	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	14	-177.6	-60.3	-87.9	0	0	0	114.1	I314 F319 I338 G341 H345 A346 F348 F351 F366 S369 L372	I314-F343 HydrophobicContact CD1-CZ 4.39Å; F319-F343 AromaticContact CD2-CD1 3.85Å; F319-F343 HydrophobicContact CD2-CD1 3.85Å; F319-F343 HydrophobicContact CD2-CE1 4.16Å; F319-F343 AromaticContact CE2-CD1 3.71Å; F319-F343 HydrophobicContact CE2-CD1 3.71Å; F319-F343 AromaticContact CE2-CE1 3.53Å; F319-F343 HydrophobicContact CE2-CE1 3.53Å; F319-F343 HydrophobicContact CE2-CZ 4.23Å; F319-F343 HydrophobicContact CZ-CE1 4.34Å; I338-F343 HydrophobicContact CG2-CD2 4.4Å; I338-F343 HydrophobicContact CG2-CE2 3.7Å; G341-F343 PolarHBondContact O-N 3.48Å; F343-H345 PolarHBondContact O-N 3.31Å; F343-A346 HydrophobicContact CB-CB 4.09Å; F343-A346 HydrophobicContact CD1-CB 4.33Å; F343-A346 VanDerWaalsContact O-CB 3.23Å; F343-A346 WeakPolarHBondContact O-CB 3.42Å; F343-A346 PolarHBondContact O-N 3.3Å; F343-F348 HydrophobicContact CD1-CE2 4.14Å; F343-F348 AromaticContact CD1-CZ 3.69Å; F343-F348 HydrophobicContact CD1-CZ 3.69Å; F343-F348 HydrophobicContact CE1-CE2 4.1Å; F343-F348 AromaticContact CE1-CZ 3.75Å; F343-F348 HydrophobicContact CE1-CZ 3.75Å; F343-F351 HydrophobicContact CE1-CB 4.49Å; F343-F351 HydrophobicContact CE1-CD1 4.36Å; F343-F351 AromaticContact CE1-CD2 3.71Å; F343-F351 HydrophobicContact CE1-CD2 3.71Å; F343-F351 AromaticContact CE1-CE2 3.97Å; F343-F351 HydrophobicContact CE1-CE2 3.97Å; F343-F351 AromaticContact CE1-CG 3.93Å; F343-F351 HydrophobicContact CE1-CG 3.93Å; F343-F351 HydrophobicContact CE1-CZ 4.4Å; F343-F351 AromaticContact CZ-CD1 3.9Å; F343-F351 HydrophobicContact CZ-CD1 3.9Å; F343-F351 AromaticContact CZ-CD2 3.89Å; F343-F351 HydrophobicContact CZ-CD2 3.89Å; F343-F351 AromaticContact CZ-CE1 3.82Å; F343-F351 HydrophobicContact CZ-CE1 3.82Å; F343-F351 AromaticContact CZ-CE2 3.82Å; F343-F351 HydrophobicContact CZ-CE2 3.82Å; F343-F351 AromaticContact CZ-CG 3.94Å; F343-F351 HydrophobicContact CZ-CG 3.94Å; F343-F351 AromaticContact CZ-CZ 3.79Å; F343-F351 HydrophobicContact CZ-CZ 3.79Å; F343-F366 HydrophobicContact CD1-CD1 4.49Å; F343-F366 AromaticContact CD2-CD1 3.45Å; F343-F366 HydrophobicContact CD2-CD1 3.45Å; F343-F366 VanDerWaalsContact CD2-CD1 3.45Å; F343-F366 AromaticContact CD2-CE1 3.81Å; F343-F366 HydrophobicContact CD2-CE1 3.81Å; F343-F366 HydrophobicContact CD2-CG 4.28Å; F343-F366 HydrophobicContact CE1-CE1 4.43Å; F343-F366 AromaticContact CE2-CD1 3.55Å; F343-F366 HydrophobicContact CE2-CD1 3.55Å; F343-F366 AromaticContact CE2-CE1 3.36Å; F343-F366 HydrophobicContact CE2-CE1 3.36Å; F343-F366 HydrophobicContact CE2-CZ 4.27Å; F343-F366 AromaticContact CG-CD1 3.96Å; F343-F366 HydrophobicContact CG-CD1 3.96Å; F343-F366 HydrophobicContact CZ-CD1 4.15Å; F343-F366 AromaticContact CZ-CE1 3.73Å; F343-F366 HydrophobicContact CZ-CE1 3.73Å; F343-S369 WeakPolarHBondContact O-CB 3.27Å; F343-L372 HydrophobicContact CB-CD1 4.46Å; F343-L372 HydrophobicContact CD1-CD1 3.69Å; F343-L372 HydrophobicContact CE1-CD1 4.13Å; F343-L372 HydrophobicContact CG-CD1 4.12Å
344	V	91.4	Very high	94.9	Very high	29 Å²	29	42.5 Å²	42.5	18%	0.176	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	126.6	173.2	168.4	0	0	0	0	109.2	G341 A346	G341-V344 WeakPolarHBondContact O-CB 2.9Å; G341-V344 WeakPolarHBondContact O-CG2 3.31Å; G341-V344 PolarHBondContact O-N 2.69Å; V344-A346 PolarHBondContact O-N 3.09Å
345	H	91.6	Very high	94.7	Very high	123 Å²	123	42.3 Å²	42.3	57%	0.569	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	15.1	-175.2	-50.5	-52.9	0	0	0	115.6	F343 G368	F343-H345 PolarHBondContact O-N 3.31Å; H345-G368 PolarHBondContact N-O 3.05Å
346	A	94.1	Very high	94.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	22%	0.223	C	C	.	.			trans	-60.1	141.2	167.3	0	0	0	0	0	110.4	F319 F343 V344 F348 T371	F319-A346 HydrophobicContact CB-CB 4.24Å; F343-A346 HydrophobicContact CB-CB 4.09Å; F343-A346 HydrophobicContact CD1-CB 4.33Å; F343-A346 VanDerWaalsContact O-CB 3.23Å; F343-A346 WeakPolarHBondContact O-CB 3.42Å; F343-A346 PolarHBondContact O-N 3.3Å; V344-A346 PolarHBondContact O-N 3.09Å; A346-F348 HydrophobicContact CB-CD1 4.35Å; A346-F348 HydrophobicContact CB-CE1 3.84Å; A346-F348 HydrophobicContact CB-CZ 4.06Å; A346-T371 PolarHBondContact O-OG1 2.56Å
347	T	94.9	Very high	94.4	Very high	42 Å²	42	44.4 Å²	44.4	26%	0.258	23%	0.228	S	C	.	.			trans	-112.8	-7.8	-173.4	53.8	0	0	0	0	114.5	M322 L325 T371	M322-T347 PolarHBondContact O-OG1 2.74Å; L325-T347 WeakPolarHBondContact CA-OG1 3.36Å; L325-T347 PolarHBondContact N-OG1 3.33Å; L325-T347 CarbonylContact O-C 3.58Å; L325-T347 VanDerWaalsContact O-C 3.29Å; L325-T347 PolarHBondContact O-OG1 3.36Å; T347-T371 WeakPolarHBondContact CA-OG1 3.21Å; T347-T371 PolarHBondContact O-OG1 3.11Å
348	F	95.9	Very high	94.4	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.21	C	C	.	.			trans	-85.7	148.3	177.9	53.9	-94.1	0	0	0	111.7	F319 L325 L326 V328 F343 A346 T350 F351 T371 L372	F319-F348 HydrophobicContact CB-CE1 4.27Å; F319-F348 HydrophobicContact CD1-CE1 4Å; F319-F348 HydrophobicContact CD2-CE1 4.12Å; F319-F348 HydrophobicContact CD2-CZ 4.1Å; F319-F348 HydrophobicContact CE1-CE1 4.42Å; F319-F348 HydrophobicContact CE2-CZ 4.17Å; F319-F348 AromaticContact CG-CE1 3.85Å; F319-F348 HydrophobicContact CG-CE1 3.85Å; F319-F348 HydrophobicContact CG-CZ 4.29Å; F319-F348 HydrophobicContact CZ-CZ 4.43Å; L325-F348 HydrophobicContact CD2-CD1 3.87Å; L325-F348 HydrophobicContact CD2-CE1 4.02Å; L325-F348 HydrophobicContact CG-CD1 4.18Å; L325-F348 PolarHBondContact O-N 2.76Å; L326-F348 VanDerWaalsContact O-CB 3.29Å; L326-F348 WeakPolarHBondContact O-CB 3.16Å; V328-F348 HydrophobicContact CG1-CD1 4.24Å; V328-F348 HydrophobicContact CG1-CD2 4.25Å; V328-F348 HydrophobicContact CG1-CE1 3.87Å; V328-F348 HydrophobicContact CG1-CE2 3.88Å; V328-F348 HydrophobicContact CG1-CG 4.41Å; V328-F348 HydrophobicContact CG1-CZ 3.67Å; F343-F348 HydrophobicContact CD1-CE2 4.14Å; F343-F348 AromaticContact CD1-CZ 3.69Å; F343-F348 HydrophobicContact CD1-CZ 3.69Å; F343-F348 HydrophobicContact CE1-CE2 4.1Å; F343-F348 AromaticContact CE1-CZ 3.75Å; F343-F348 HydrophobicContact CE1-CZ 3.75Å; A346-F348 HydrophobicContact CB-CD1 4.35Å; A346-F348 HydrophobicContact CB-CE1 3.84Å; A346-F348 HydrophobicContact CB-CZ 4.06Å; F348-T350 WeakPolarHBondContact CD2-O 3.43Å; F348-F351 HydrophobicContact CE2-CB 4.13Å; F348-F351 HydrophobicContact CE2-CD2 4.26Å; F348-T371 PolarHBondContact O-OG1 3.23Å; F348-L372 HydrophobicContact CD2-CD1 4.44Å; F348-L372 HydrophobicContact CE2-CD1 3.82Å; F348-L372 WeakPolarHBondContact O-CA 3.35Å; F348-L372 PolarHBondContact O-N 3.28Å
349	D	95.9	Very high	94.3	Very high	87 Å²	87	46.6 Å²	46.6	47%	0.465	23%	0.233	S	C	.	.	S	Bend	trans	-83.9	-31.8	-173.1	67.6	96.9	0	0	0	114	T371 L372 T373 K374	D349-T371 WeakPolarHBondContact CA-O 3.34Å; D349-L372 CarbonylContact O-C 3.54Å; D349-L372 WeakPolarHBondContact O-CA 3Å; D349-T373 PolarHBondContact O-N 2.95Å; D349-K374 PolarHBondContact O-N 3.05Å
350	T	96.7	Very high	94.3	Very high	38 Å²	38	47.8 Å²	47.8	23%	0.233	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.5	-173.1	-65.1	0	0	0	0	110.6	F348 I352 K374 V376	F348-T350 WeakPolarHBondContact CD2-O 3.43Å; T350-I352 HydrophobicContact CG2-CG1 4.08Å; T350-K374 CarbonylContact C-O 3.56Å; T350-K374 VanDerWaalsContact CA-O 3.31Å; T350-K374 WeakPolarHBondContact CA-O 3.5Å; T350-K374 HydrophobicContact CG2-CB 4.34Å; T350-K374 HydrophobicContact CG2-CD 4.39Å; T350-K374 HydrophobicContact CG2-CG 4.16Å; T350-V376 HydrophobicContact CG2-CG2 4.13Å
351	F	96.7	Very high	94.5	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.3	169.2	-178.9	-118.9	0	0	0	110.5	I314 V328 L330 I338 F343 F348 L353 F366 L372 K374 I375 V376	I314-F351 HydrophobicContact CD1-CE2 4.28Å; I314-F351 HydrophobicContact CD1-CZ 3.8Å; V328-F351 HydrophobicContact CG1-CD2 4.41Å; L330-F351 HydrophobicContact CD1-CE2 4.08Å; I338-F351 HydrophobicContact CD1-CE1 4.21Å; F343-F351 HydrophobicContact CE1-CB 4.49Å; F343-F351 HydrophobicContact CE1-CD1 4.36Å; F343-F351 AromaticContact CE1-CD2 3.71Å; F343-F351 HydrophobicContact CE1-CD2 3.71Å; F343-F351 AromaticContact CE1-CE2 3.97Å; F343-F351 HydrophobicContact CE1-CE2 3.97Å; F343-F351 AromaticContact CE1-CG 3.93Å; F343-F351 HydrophobicContact CE1-CG 3.93Å; F343-F351 HydrophobicContact CE1-CZ 4.4Å; F343-F351 AromaticContact CZ-CD1 3.9Å; F343-F351 HydrophobicContact CZ-CD1 3.9Å; F343-F351 AromaticContact CZ-CD2 3.89Å; F343-F351 HydrophobicContact CZ-CD2 3.89Å; F343-F351 AromaticContact CZ-CE1 3.82Å; F343-F351 HydrophobicContact CZ-CE1 3.82Å; F343-F351 AromaticContact CZ-CE2 3.82Å; F343-F351 HydrophobicContact CZ-CE2 3.82Å; F343-F351 AromaticContact CZ-CG 3.94Å; F343-F351 HydrophobicContact CZ-CG 3.94Å; F343-F351 AromaticContact CZ-CZ 3.79Å; F343-F351 HydrophobicContact CZ-CZ 3.79Å; F348-F351 HydrophobicContact CE2-CB 4.13Å; F348-F351 HydrophobicContact CE2-CD2 4.26Å; F351-L353 HydrophobicContact CE1-CB 3.96Å; F351-L353 HydrophobicContact CE1-CD1 4.21Å; F351-L353 HydrophobicContact CZ-CB 4.49Å; F351-L353 HydrophobicContact CZ-CD1 4.19Å; F351-F366 AromaticContact CD1-CE1 3.78Å; F351-F366 HydrophobicContact CD1-CE1 3.78Å; F351-F366 HydrophobicContact CD1-CZ 4.23Å; F351-F366 HydrophobicContact CE1-CE1 4.33Å; F351-F366 HydrophobicContact CG-CE1 4.46Å; F351-L372 HydrophobicContact CB-CD1 3.92Å; F351-L372 HydrophobicContact CB-CG 4.47Å; F351-K374 PolarHBondContact N-O 3.29Å; F351-I375 CarbonylContact O-C 3.4Å; F351-I375 WeakPolarHBondContact O-CA 3.22Å; F351-V376 PolarHBondContact O-N 2.7Å
352	I	96.4	Very high	94.7	Very high	78 Å²	78	43.8 Å²	43.8	40%	0.4	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.4	176.3	-56.2	177.5	0	0	0	108.3	T350 R354 V376	T350-I352 HydrophobicContact CG2-CG1 4.08Å; I352-R354 HydrophobicContact CG2-CB 4.32Å; I352-V376 CarbonylContact C-O 3.33Å; I352-V376 WeakPolarHBondContact CA-O 3.17Å; I352-V376 HydrophobicContact CG1-CB 4.32Å
353	L	94.8	Very high	94.5	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	103.2	172.4	-175	71.6	0	0	0	108.7	F351 M358 V376 A377 T378 N380	F351-L353 HydrophobicContact CE1-CB 3.96Å; F351-L353 HydrophobicContact CE1-CD1 4.21Å; F351-L353 HydrophobicContact CZ-CB 4.49Å; F351-L353 HydrophobicContact CZ-CD1 4.19Å; L353-M358 HydrophobicContact CD2-CE 3.28Å; L353-M358 HydrophobicContact CD2-SD 4.29Å; L353-V376 PolarHBondContact N-O 3.06Å; L353-A377 HydrophobicContact CB-CB 4.45Å; L353-A377 CarbonylContact O-C 3.53Å; L353-A377 VanDerWaalsContact O-CA 3.29Å; L353-A377 WeakPolarHBondContact O-CA 3.42Å; L353-T378 PolarHBondContact O-N 3.09Å; L353-N380 PolarHBondContact O-ND2 2.76Å
354	R	96.1	Very high	94.2	Very high	78 Å²	78	44.9 Å²	44.9	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.9	-179.2	-176.4	167.1	-175.8	-151.6	9.8	112.1	E331 S332 I352 S356 T378 E379	E331-R354 HydrophobicContact CB-CB 4.43Å; E331-R354 HydrophobicContact CG-CB 4.01Å; E331-R354 HydrophobicContact CG-CG 4.01Å; E331-R354 VanDerWaalsContact OE1-CD 3.23Å; E331-R354 WeakPolarHBondContact OE1-CD 3.49Å; E331-R354 IonicContact OE1-CZ 3.19Å; E331-R354 IonicContact OE1-NE 2.74Å; E331-R354 PolarHBondContact OE1-NE 2.89Å; E331-R354 IonicContact OE1-NH1 2.84Å; E331-R354 PolarHBondContact OE1-NH1 3.05Å; E331-R354 IonicContact OE2-NH1 3.35Å; S332-R354 PolarHBondContact N-O 3.33Å; I352-R354 HydrophobicContact CG2-CB 4.32Å; R354-S356 VanDerWaalsContact C-N 3.26Å; R354-S356 PolarHBondContact O-N 2.73Å; R354-T378 VanDerWaalsContact CA-O 3.28Å; R354-T378 WeakPolarHBondContact CA-O 3.31Å; R354-T378 HydrophobicContact CB-CG2 3.76Å; R354-T378 HydrophobicContact CG-CG2 3.77Å; R354-E379 HydrophobicContact CG-CB 4.36Å; R354-E379 IonicContact CZ-OE1 2.84Å; R354-E379 IonicContact CZ-OE2 2.72Å; R354-E379 VanDerWaalsContact NE-CD 3.26Å; R354-E379 IonicContact NE-OE1 3.6Å; R354-E379 PolarHBondContact NE-OE1 2.84Å; R354-E379 IonicContact NE-OE2 3.44Å; R354-E379 PolarHBondContact NE-OE2 3.02Å; R354-E379 IonicContact NH2-OE1 2.7Å; R354-E379 PolarHBondContact NH2-OE1 2.83Å; R354-E379 IonicContact NH2-OE2 3.43Å; R354-E379 PolarHBondContact NH2-OE2 3.17Å
355	A	92.5	Very high	94.1	Very high	40 Å²	40	44 Å²	44	33%	0.331	22%	0.22	S	C	.	.	S	Bend	trans	55	38.9	177.7	0	0	0	0	0	113.8	E379 N380	A355-E379 WeakPolarHBondContact CA-O 3.46Å; A355-E379 PolarHBondContact N-O 3.2Å; A355-N380 PolarHBondContact N-OD1 3.2Å
356	S	92.9	Very high	94	Very high	5 Å²	5	38.2 Å²	38.2	4%	0.035	19%	0.193	C	C	.	.			trans	-83.5	172.1	176.6	73.8	0	0	0	0	112.8	R354 N380	R354-S356 VanDerWaalsContact C-N 3.26Å; R354-S356 PolarHBondContact O-N 2.73Å; S356-N380 WeakPolarHBondContact CB-OD1 3.23Å; S356-N380 PolarHBondContact N-OD1 2.7Å; S356-N380 PolarHBondContact OG-OD1 2.75Å
357	K	95.7	Very high	93.5	Very high	123 Å²	123	39.7 Å²	39.7	54%	0.535	20%	0.2	S	C	.	.			trans	-105.9	10.6	172.2	-70.6	-67	-175.6	-175.3	0	113	P334 I335 N336 T382	P334-K357 HydrophobicContact CB-CG 3.89Å; I335-K357 CarbonylContact O-C 3.11Å; I335-K357 WeakPolarHBondContact O-CA 3.42Å; I335-K357 PolarHBondContact O-N 2.72Å; N336-K357 HydrophobicContact CB-CB 4.25Å; K357-T382 WeakPolarHBondContact CA-OG1 3.18Å; K357-T382 HydrophobicContact CD-CG2 4.37Å; K357-T382 PolarHBondContact O-OG1 2.74Å
358	M	95.3	Very high	93	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.025	20%	0.202	C	C	.	.			trans	-69.5	139.3	-175.7	-164.4	171.5	72.9	0	0	110.5	I335 I338 L353 Q360 L361 T382 L383	I335-M358 PolarHBondContact O-N 3.26Å; I338-M358 HydrophobicContact CD1-SD 3.98Å; I338-M358 HydrophobicContact CG1-SD 4.13Å; L353-M358 HydrophobicContact CD2-CE 3.28Å; L353-M358 HydrophobicContact CD2-SD 4.29Å; M358-Q360 VanDerWaalsContact CG-O 3.24Å; M358-Q360 WeakPolarHBondContact CG-O 3.42Å; M358-L361 HydrophobicContact CE-CB 3.63Å; M358-L361 HydrophobicContact CE-CD1 3.42Å; M358-L361 VanDerWaalsContact CE-CD1 3.42Å; M358-L361 HydrophobicContact CE-CG 4.06Å; M358-L361 HydrophobicContact SD-CD1 4.2Å; M358-T382 PolarHBondContact N-OG1 2.91Å; M358-T382 CarbonylContact O-C 3.56Å; M358-T382 WeakPolarHBondContact O-CB 3.08Å; M358-T382 PolarHBondContact O-OG1 2.76Å; M358-L383 HydrophobicContact CE-CD1 3.82Å; M358-L383 VanDerWaalsContact O-CA 3.3Å; M358-L383 WeakPolarHBondContact O-CA 3.46Å; M358-L383 PolarHBondContact O-N 2.83Å
359	Q	95.5	Very high	92.6	Very high	123 Å²	123	39.1 Å²	39.1	58%	0.575	20%	0.203	S	C	*	.	S	Bend	trans	-97.2	-31.1	180	-66.4	-173.2	4.3	0	0	113	T382 K384	Q359-T382 WeakPolarHBondContact CA-O 3.21Å; Q359-K384 PolarHBondContact O-N 3.49Å
360	Q	94.9	Very high	92.2	Very high	110 Å²	110	40.6 Å²	40.6	51%	0.514	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140	-175.8	-46.7	-174.8	-33.1	0	0	108.6	M358 T385 F387	M358-Q360 VanDerWaalsContact CG-O 3.24Å; M358-Q360 WeakPolarHBondContact CG-O 3.42Å; Q360-T385 WeakPolarHBondContact CA-O 3.48Å; Q360-T385 HydrophobicContact CB-CG2 3.87Å; Q360-T385 HydrophobicContact CG-CG2 3.69Å; Q360-F387 HydrophobicContact CB-CD1 4.16Å; Q360-F387 HydrophobicContact CB-CE1 3.69Å
361	L	94.8	Very high	92	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.8	174.2	-177.7	65.7	0	0	0	110.1	I338 M358 F366 I375 L383 T385 V386 F387	I338-L361 HydrophobicContact CD1-CD1 4.41Å; M358-L361 HydrophobicContact CE-CB 3.63Å; M358-L361 HydrophobicContact CE-CD1 3.42Å; M358-L361 VanDerWaalsContact CE-CD1 3.42Å; M358-L361 HydrophobicContact CE-CG 4.06Å; M358-L361 HydrophobicContact SD-CD1 4.2Å; L361-F366 HydrophobicContact CD1-CE2 3.77Å; L361-F366 HydrophobicContact CD1-CZ 3.8Å; L361-F366 HydrophobicContact CD2-CE2 4.44Å; L361-F366 HydrophobicContact CG-CE2 4.26Å; L361-I375 HydrophobicContact CD2-CG2 4.31Å; L361-L383 HydrophobicContact CB-CD1 4.12Å; L361-T385 PolarHBondContact N-O 2.85Å; L361-V386 HydrophobicContact CB-CG1 4.31Å; L361-V386 HydrophobicContact CB-CG2 4.24Å; L361-V386 HydrophobicContact CD2-CG1 4.3Å; L361-V386 HydrophobicContact CG-CG1 4.48Å; L361-V386 WeakPolarHBondContact O-CA 3.37Å; L361-F387 WeakPolarHBondContact O-CD1 3.37Å; L361-F387 PolarHBondContact O-N 3.4Å
362	D	93.5	Very high	91.8	Very high	30 Å²	30	40.9 Å²	40.9	16%	0.16	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.7	174.1	-172	-5.1	0	0	0	110.7	E364 T365 F387 S389	D362-E364 PolarHBondContact O-N 3.22Å; D362-E364 WeakPolarHBondContact OD1-CB 3.42Å; D362-E364 PolarHBondContact OD1-N 3.12Å; D362-T365 HydrophobicContact CB-CG2 4.16Å; D362-T365 WeakPolarHBondContact O-CB 3.42Å; D362-T365 PolarHBondContact O-N 3.14Å; D362-T365 PolarHBondContact O-OG1 2.96Å; D362-F387 WeakPolarHBondContact CA-O 3.42Å; D362-F387 HydrophobicContact CB-CD1 4.42Å; D362-F387 HydrophobicContact CB-CE1 3.74Å; D362-F387 HydrophobicContact CB-CE2 3.92Å; D362-F387 HydrophobicContact CB-CZ 3.47Å; D362-F387 VanDerWaalsContact CB-CZ 3.47Å; D362-S389 PolarHBondContact OD1-N 3.21Å; D362-S389 VanDerWaalsContact OD1-N 3.11Å; D362-S389 WeakPolarHBondContact OD2-CB 3.44Å; D362-S389 PolarHBondContact OD2-OG 2.87Å
363	L	90.8	Very high	91.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-63.4	-22.1	176.8	-64.6	-164.5	0	0	0	113.4	T365 F366 V386 F387 L399 I402 L416 W419	L363-T365 PolarHBondContact O-N 2.94Å; L363-F366 PolarHBondContact O-N 2.95Å; L363-V386 HydrophobicContact CD2-CG1 4.12Å; L363-V386 HydrophobicContact CG-CG1 4.49Å; L363-F387 PolarHBondContact N-O 3.35Å; L363-L399 HydrophobicContact CD1-CD2 4.4Å; L363-L399 HydrophobicContact CD2-CD2 3.92Å; L363-I402 HydrophobicContact CD1-CD1 4.1Å; L363-I402 HydrophobicContact CD2-CD1 3.54Å; L363-I402 HydrophobicContact CG-CD1 4.44Å; L363-L416 HydrophobicContact CD1-CD2 3.41Å; L363-L416 VanDerWaalsContact CD1-CD2 3.41Å; L363-L416 HydrophobicContact CG-CD2 3.82Å; L363-W419 HydrophobicContact CD1-CD2 3.94Å; L363-W419 HydrophobicContact CD1-CE3 3.89Å; L363-W419 HydrophobicContact CD1-CG 4.33Å; L363-W419 HydrophobicContact CD1-CZ3 4.36Å
364	E	86.9	Confident	91.8	Very high	23 Å²	23	41.7 Å²	41.7	11%	0.107	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-63.3	-24.7	176.4	-169.8	179.4	-157	0	0	112.4	Q340 D362 F366 L367 S389 K390	Q340-E364 HydrophobicContact CG-CG 4.22Å; Q340-E364 PolarHBondContact NE2-OE1 2.7Å; D362-E364 PolarHBondContact O-N 3.22Å; D362-E364 WeakPolarHBondContact OD1-CB 3.42Å; D362-E364 PolarHBondContact OD1-N 3.12Å; E364-F366 PolarHBondContact O-N 2.79Å; E364-F366 VanDerWaalsContact O-N 3.14Å; E364-L367 WeakPolarHBondContact O-CB 3.22Å; E364-L367 PolarHBondContact O-N 2.85Å; E364-S389 WeakPolarHBondContact CB-OG 3.42Å; E364-S389 VanDerWaalsContact CD-OG 3.22Å; E364-S389 PolarHBondContact OE2-OG 2.56Å; E364-K390 WeakPolarHBondContact OE1-CD 3.4Å; E364-K390 WeakPolarHBondContact OE1-CE 3.37Å; E364-K390 IonicContact OE1-NZ 2.75Å; E364-K390 PolarHBondContact OE1-NZ 3.14Å
365	T	90	Very high	91.7	Very high	10 Å²	10	38 Å²	38	6%	0.061	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-61.8	-24.9	179.1	61.1	0	0	0	0	113.2	I338 D362 L363	I338-T365 HydrophobicContact CB-CG2 4.09Å; I338-T365 HydrophobicContact CG2-CG2 3.98Å; I338-T365 WeakPolarHBondContact O-CG2 3.11Å; D362-T365 HydrophobicContact CB-CG2 4.16Å; D362-T365 WeakPolarHBondContact O-CB 3.42Å; D362-T365 PolarHBondContact O-N 3.14Å; D362-T365 PolarHBondContact O-OG1 2.96Å; L363-T365 PolarHBondContact O-N 2.94Å
366	F	89.6	Confident	91.9	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-90.8	0.7	178.8	-52.7	-79.4	0	0	0	114.2	F343 F351 L361 L363 E364 S369 L372 I375	F343-F366 HydrophobicContact CD1-CD1 4.49Å; F343-F366 AromaticContact CD2-CD1 3.45Å; F343-F366 HydrophobicContact CD2-CD1 3.45Å; F343-F366 VanDerWaalsContact CD2-CD1 3.45Å; F343-F366 AromaticContact CD2-CE1 3.81Å; F343-F366 HydrophobicContact CD2-CE1 3.81Å; F343-F366 HydrophobicContact CD2-CG 4.28Å; F343-F366 HydrophobicContact CE1-CE1 4.43Å; F343-F366 AromaticContact CE2-CD1 3.55Å; F343-F366 HydrophobicContact CE2-CD1 3.55Å; F343-F366 AromaticContact CE2-CE1 3.36Å; F343-F366 HydrophobicContact CE2-CE1 3.36Å; F343-F366 HydrophobicContact CE2-CZ 4.27Å; F343-F366 AromaticContact CG-CD1 3.96Å; F343-F366 HydrophobicContact CG-CD1 3.96Å; F343-F366 HydrophobicContact CZ-CD1 4.15Å; F343-F366 AromaticContact CZ-CE1 3.73Å; F343-F366 HydrophobicContact CZ-CE1 3.73Å; F351-F366 AromaticContact CD1-CE1 3.78Å; F351-F366 HydrophobicContact CD1-CE1 3.78Å; F351-F366 HydrophobicContact CD1-CZ 4.23Å; F351-F366 HydrophobicContact CE1-CE1 4.33Å; F351-F366 HydrophobicContact CG-CE1 4.46Å; L361-F366 HydrophobicContact CD1-CE2 3.77Å; L361-F366 HydrophobicContact CD1-CZ 3.8Å; L361-F366 HydrophobicContact CD2-CE2 4.44Å; L361-F366 HydrophobicContact CG-CE2 4.26Å; L363-F366 PolarHBondContact O-N 2.95Å; E364-F366 PolarHBondContact O-N 2.79Å; E364-F366 VanDerWaalsContact O-N 3.14Å; F366-S369 PolarHBondContact O-N 2.92Å; F366-L372 HydrophobicContact CD1-CD1 3.89Å; F366-L372 HydrophobicContact CD1-CD2 4.07Å; F366-L372 HydrophobicContact CE1-CD1 4.45Å; F366-I375 HydrophobicContact CD1-CD1 4.05Å; F366-I375 HydrophobicContact CD1-CG1 4.44Å; F366-I375 HydrophobicContact CD2-CD1 3.59Å; F366-I375 HydrophobicContact CE1-CD1 3.75Å; F366-I375 HydrophobicContact CE1-CG1 3.99Å; F366-I375 HydrophobicContact CE2-CD1 3.25Å; F366-I375 HydrophobicContact CE2-CG1 4.32Å; F366-I375 HydrophobicContact CG-CD1 3.98Å; F366-I375 HydrophobicContact CZ-CD1 3.34Å; F366-I375 HydrophobicContact CZ-CG1 3.93Å
367	L	83.9	Confident	92.1	Very high	33 Å²	33	37.3 Å²	37.3	17%	0.173	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	138.8	177.8	-168.6	71.2	0	0	0	111.4	E364 S369 E396 Y397	E364-L367 WeakPolarHBondContact O-CB 3.22Å; E364-L367 PolarHBondContact O-N 2.85Å; L367-S369 VanDerWaalsContact C-N 3.3Å; L367-E396 HydrophobicContact CD1-CB 3.31Å; L367-E396 HydrophobicContact CD1-CG 4.46Å; L367-E396 HydrophobicContact CG-CB 4.37Å; L367-Y397 HydrophobicContact CD1-CD1 3.84Å; L367-Y397 HydrophobicContact CD1-CE1 4.49Å
368	G	83.7	Confident	92.1	Very high	29 Å²	29	32.3 Å²	32.3	30%	0.299	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	-0.3	179	0	0	0	0	0	114.8	H345 E396	H345-G368 PolarHBondContact N-O 3.05Å; G368-E396 PolarHBondContact N-O 2.84Å
369	S	88.1	Confident	92.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	19%	0.192	C	C	.	.			trans	-84.3	122.6	163.2	-174.9	0	0	0	0	110.9	F343 F366 L367 L372 Y397 A398	F343-S369 WeakPolarHBondContact O-CB 3.27Å; F366-S369 PolarHBondContact O-N 2.92Å; L367-S369 VanDerWaalsContact C-N 3.3Å; S369-L372 WeakPolarHBondContact OG-CB 3.47Å; S369-L372 PolarHBondContact OG-N 3.37Å; S369-L372 VanDerWaalsContact OG-N 3.09Å; S369-Y397 WeakPolarHBondContact O-CA 3.33Å; S369-A398 PolarHBondContact O-N 2.75Å
370	T	86.9	Confident	92.1	Very high	118 Å²	118	29.5 Å²	29.5	72%	0.724	17%	0.165	S	C	*	.	S	Bend	trans	-94.4	-5.8	176.4	56.5	0	0	0	0	113.2	A398	T370-A398 VanDerWaalsContact O-CB 3.31Å; T370-A398 WeakPolarHBondContact O-CB 3.49Å
371	T	92.7	Very high	92	Very high	45 Å²	45	28.5 Å²	28.5	28%	0.276	17%	0.168	S	C	.	.	S	Bend	trans	-117.9	-30	-173.6	61.9	0	0	0	0	112.9	A346 T347 F348 D349 T373	A346-T371 PolarHBondContact O-OG1 2.56Å; T347-T371 WeakPolarHBondContact CA-OG1 3.21Å; T347-T371 PolarHBondContact O-OG1 3.11Å; F348-T371 PolarHBondContact O-OG1 3.23Å; D349-T371 WeakPolarHBondContact CA-O 3.34Å; T371-T373 WeakPolarHBondContact O-CG2 3.37Å; T371-T373 PolarHBondContact O-N 3.24Å
372	L	93.9	Very high	92	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	18%	0.18	C	C	.	.			trans	-70.8	105.2	-178.1	-168.5	158.9	0	0	0	109.4	F343 F348 D349 F351 F366 S369 I375 A398 L399	F343-L372 HydrophobicContact CB-CD1 4.46Å; F343-L372 HydrophobicContact CD1-CD1 3.69Å; F343-L372 HydrophobicContact CE1-CD1 4.13Å; F343-L372 HydrophobicContact CG-CD1 4.12Å; F348-L372 HydrophobicContact CD2-CD1 4.44Å; F348-L372 HydrophobicContact CE2-CD1 3.82Å; F348-L372 WeakPolarHBondContact O-CA 3.35Å; F348-L372 PolarHBondContact O-N 3.28Å; D349-L372 CarbonylContact O-C 3.54Å; D349-L372 WeakPolarHBondContact O-CA 3Å; F351-L372 HydrophobicContact CB-CD1 3.92Å; F351-L372 HydrophobicContact CB-CG 4.47Å; F366-L372 HydrophobicContact CD1-CD1 3.89Å; F366-L372 HydrophobicContact CD1-CD2 4.07Å; F366-L372 HydrophobicContact CE1-CD1 4.45Å; S369-L372 WeakPolarHBondContact OG-CB 3.47Å; S369-L372 PolarHBondContact OG-N 3.37Å; S369-L372 VanDerWaalsContact OG-N 3.09Å; L372-I375 HydrophobicContact CD2-CD1 4.49Å; L372-I375 HydrophobicContact CD2-CG1 3.97Å; L372-A398 CarbonylContact O-C 3.35Å; L372-A398 VanDerWaalsContact O-C 3.25Å; L372-L399 HydrophobicContact CD2-CD1 3.83Å; L372-L399 WeakPolarHBondContact O-CA 3.26Å; L372-L399 PolarHBondContact O-N 3.21Å; L372-L399 VanDerWaalsContact O-N 3.09Å
373	T	93.7	Very high	92.1	Very high	43 Å²	43	28.9 Å²	28.9	26%	0.264	17%	0.172	S	C	.	.			trans	-104.2	-17.8	-178.5	61.6	0	0	0	0	112.7	D349 T371 A398 K400 E401	D349-T373 PolarHBondContact O-N 2.95Å; T371-T373 WeakPolarHBondContact O-CG2 3.37Å; T371-T373 PolarHBondContact O-N 3.24Å; T373-A398 WeakPolarHBondContact CA-O 3.34Å; T373-A398 HydrophobicContact CG2-CB 4.19Å; T373-K400 WeakPolarHBondContact O-CA 3.44Å; T373-K400 PolarHBondContact O-N 3.48Å; T373-E401 PolarHBondContact O-N 3.26Å
374	K	95.6	Very high	92.3	Very high	55 Å²	55	34 Å²	34	24%	0.239	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	134.5	-171.1	-179.1	168.2	179.2	156.2	0	112.6	D349 T350 F351 V376 E401 H403	D349-K374 PolarHBondContact O-N 3.05Å; T350-K374 CarbonylContact C-O 3.56Å; T350-K374 VanDerWaalsContact CA-O 3.31Å; T350-K374 WeakPolarHBondContact CA-O 3.5Å; T350-K374 HydrophobicContact CG2-CB 4.34Å; T350-K374 HydrophobicContact CG2-CD 4.39Å; T350-K374 HydrophobicContact CG2-CG 4.16Å; F351-K374 PolarHBondContact N-O 3.29Å; K374-V376 HydrophobicContact CD-CG2 4.32Å; K374-V376 HydrophobicContact CG-CG2 4.07Å; K374-E401 CarbonylContact C-O 3.5Å; K374-E401 WeakPolarHBondContact CA-O 3.45Å; K374-E401 HydrophobicContact CB-CB 4.41Å; K374-E401 HydrophobicContact CG-CB 4.15Å; K374-E401 IonicContact NZ-OE2 3.48Å; K374-E401 PolarHBondContact NZ-OE2 2.81Å; K374-H403 VanDerWaalsContact CE-CD2 3.47Å; K374-H403 WeakPolarHBondContact CE-CD2 3.4Å; K374-H403 WeakPolarHBondContact CE-NE2 3.47Å; K374-H403 PolarHBondContact NZ-CE1 3.28Å; K374-H403 PolarHBondContact NZ-NE2 2.78Å
375	I	95.8	Very high	92.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.7	169.2	-63.5	160.1	0	0	0	108	F351 L361 F366 L372 L399 E401 I402 H403	F351-I375 CarbonylContact O-C 3.4Å; F351-I375 WeakPolarHBondContact O-CA 3.22Å; L361-I375 HydrophobicContact CD2-CG2 4.31Å; F366-I375 HydrophobicContact CD1-CD1 4.05Å; F366-I375 HydrophobicContact CD1-CG1 4.44Å; F366-I375 HydrophobicContact CD2-CD1 3.59Å; F366-I375 HydrophobicContact CE1-CD1 3.75Å; F366-I375 HydrophobicContact CE1-CG1 3.99Å; F366-I375 HydrophobicContact CE2-CD1 3.25Å; F366-I375 HydrophobicContact CE2-CG1 4.32Å; F366-I375 HydrophobicContact CG-CD1 3.98Å; F366-I375 HydrophobicContact CZ-CD1 3.34Å; F366-I375 HydrophobicContact CZ-CG1 3.93Å; L372-I375 HydrophobicContact CD2-CD1 4.49Å; L372-I375 HydrophobicContact CD2-CG1 3.97Å; I375-L399 HydrophobicContact CB-CD1 4.39Å; I375-L399 HydrophobicContact CD1-CD1 3.48Å; I375-L399 VanDerWaalsContact CD1-CD1 3.48Å; I375-L399 HydrophobicContact CD1-CD2 3.64Å; I375-L399 HydrophobicContact CD1-CG 4.22Å; I375-L399 HydrophobicContact CG1-CD1 3.61Å; I375-E401 PolarHBondContact N-O 2.81Å; I375-I402 HydrophobicContact CD1-CG1 4.43Å; I375-I402 CarbonylContact O-C 3.18Å; I375-I402 WeakPolarHBondContact O-CA 3.46Å; I375-H403 PolarHBondContact O-N 2.91Å
376	V	96.8	Very high	92.9	Very high	31 Å²	31	33.7 Å²	33.7	19%	0.188	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	99.6	172.6	-175.8	0	0	0	0	108	T350 F351 I352 L353 K374 H403	T350-V376 HydrophobicContact CG2-CG2 4.13Å; F351-V376 PolarHBondContact O-N 2.7Å; I352-V376 CarbonylContact C-O 3.33Å; I352-V376 WeakPolarHBondContact CA-O 3.17Å; I352-V376 HydrophobicContact CG1-CB 4.32Å; L353-V376 PolarHBondContact N-O 3.06Å; K374-V376 HydrophobicContact CD-CG2 4.32Å; K374-V376 HydrophobicContact CG-CG2 4.07Å; V376-H403 CarbonylContact C-O 3.57Å; V376-H403 HydrophobicContact CB-CB 4.43Å; V376-H403 HydrophobicContact CG1-CB 4.24Å; V376-H403 HydrophobicContact CG2-CB 4.2Å
377	A	96.6	Very high	93.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	114.1	170.2	0	0	0	0	0	108.9	L353 L383 H403 L404 Y405 N407	L353-A377 HydrophobicContact CB-CB 4.45Å; L353-A377 CarbonylContact O-C 3.53Å; L353-A377 VanDerWaalsContact O-CA 3.29Å; L353-A377 WeakPolarHBondContact O-CA 3.42Å; A377-L383 HydrophobicContact CB-CD2 4.02Å; A377-H403 PolarHBondContact N-O 2.73Å; A377-L404 HydrophobicContact CB-CD2 3.78Å; A377-L404 WeakPolarHBondContact O-CA 2.95Å; A377-Y405 PolarHBondContact O-N 2.7Å; A377-N407 PolarHBondContact O-ND2 3.17Å
378	T	95.6	Very high	93.4	Very high	18 Å²	18	34.5 Å²	34.5	11%	0.11	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.7	-178.1	-179.5	0	0	0	0	111.9	L353 R354 N380 Y405	L353-T378 PolarHBondContact O-N 3.09Å; R354-T378 VanDerWaalsContact CA-O 3.28Å; R354-T378 WeakPolarHBondContact CA-O 3.31Å; R354-T378 HydrophobicContact CB-CG2 3.76Å; R354-T378 HydrophobicContact CG-CG2 3.77Å; T378-N380 VanDerWaalsContact C-N 3.3Å; T378-N380 PolarHBondContact N-ND2 3.49Å; T378-N380 VanDerWaalsContact N-ND2 3.16Å; T378-N380 PolarHBondContact O-N 3.1Å; T378-N380 PolarHBondContact O-ND2 3.13Å; T378-Y405 WeakPolarHBondContact CA-O 3.1Å; T378-Y405 WeakPolarHBondContact OG1-CD1 3.43Å
379	E	95.3	Very high	93.5	Very high	69 Å²	69	36 Å²	36	32%	0.322	20%	0.202	S	C	.	.	S	Bend	trans	54.9	42.4	176	-64	169.2	-153.9	0	0	113.1	R354 A355 P381 Y405 N406	R354-E379 HydrophobicContact CG-CB 4.36Å; R354-E379 IonicContact CZ-OE1 2.84Å; R354-E379 IonicContact CZ-OE2 2.72Å; R354-E379 VanDerWaalsContact NE-CD 3.26Å; R354-E379 IonicContact NE-OE1 3.6Å; R354-E379 PolarHBondContact NE-OE1 2.84Å; R354-E379 IonicContact NE-OE2 3.44Å; R354-E379 PolarHBondContact NE-OE2 3.02Å; R354-E379 IonicContact NH2-OE1 2.7Å; R354-E379 PolarHBondContact NH2-OE1 2.83Å; R354-E379 IonicContact NH2-OE2 3.43Å; R354-E379 PolarHBondContact NH2-OE2 3.17Å; A355-E379 WeakPolarHBondContact CA-O 3.46Å; A355-E379 PolarHBondContact N-O 3.2Å; E379-P381 WeakPolarHBondContact O-CD 3.14Å; E379-Y405 PolarHBondContact N-O 2.81Å; E379-Y405 VanDerWaalsContact N-O 3.14Å; E379-N406 VanDerWaalsContact CA-O 3.25Å; E379-N406 WeakPolarHBondContact CA-O 3.46Å; E379-N406 HydrophobicContact CG-CB 4.46Å; E379-N406 PolarHBondContact N-O 3.08Å
380	N	95	Very high	93	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.			trans	-106.8	89.6	174.7	-54.6	-78.9	0	0	0	110.1	L353 A355 S356 T378 T382 L383 N407	L353-N380 PolarHBondContact O-ND2 2.76Å; A355-N380 PolarHBondContact N-OD1 3.2Å; S356-N380 WeakPolarHBondContact CB-OD1 3.23Å; S356-N380 PolarHBondContact N-OD1 2.7Å; S356-N380 PolarHBondContact OG-OD1 2.75Å; T378-N380 VanDerWaalsContact C-N 3.3Å; T378-N380 PolarHBondContact N-ND2 3.49Å; T378-N380 VanDerWaalsContact N-ND2 3.16Å; T378-N380 PolarHBondContact O-N 3.1Å; T378-N380 PolarHBondContact O-ND2 3.13Å; N380-T382 PolarHBondContact O-N 2.78Å; N380-L383 HydrophobicContact CB-CB 3.76Å; N380-L383 HydrophobicContact CB-CD2 4.4Å; N380-L383 PolarHBondContact O-N 3.29Å; N380-N407 WeakPolarHBondContact CA-OD1 3.32Å; N380-N407 VanDerWaalsContact CB-OD1 3.23Å; N380-N407 WeakPolarHBondContact CB-OD1 3.5Å; N380-N407 PolarHBondContact N-OD1 2.96Å; N380-N407 PolarHBondContact ND2-OD1 3.43Å; N380-N407 VanDerWaalsContact ND2-OD1 3.14Å
381	P	92.5	Very high	91.6	Very high	90 Å²	90	39.7 Å²	39.7	58%	0.584	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.4	-174.6	27.7	-36	0	0	0	113.9	E379 N408	E379-P381 WeakPolarHBondContact O-CD 3.14Å; P381-N408 VanDerWaalsContact O-CB 3.31Å; P381-N408 WeakPolarHBondContact O-CB 3.41Å
382	T	94.9	Very high	89.7	Confident	39 Å²	39	43.2 Å²	43.2	24%	0.239	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-16.3	177.8	55.2	0	0	0	0	113.4	K357 M358 Q359 N380 K384	K357-T382 WeakPolarHBondContact CA-OG1 3.18Å; K357-T382 HydrophobicContact CD-CG2 4.37Å; K357-T382 PolarHBondContact O-OG1 2.74Å; M358-T382 PolarHBondContact N-OG1 2.91Å; M358-T382 CarbonylContact O-C 3.56Å; M358-T382 WeakPolarHBondContact O-CB 3.08Å; M358-T382 PolarHBondContact O-OG1 2.76Å; Q359-T382 WeakPolarHBondContact CA-O 3.21Å; N380-T382 PolarHBondContact O-N 2.78Å; T382-K384 PolarHBondContact O-N 2.92Å
383	L	95.8	Very high	88	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.			trans	-76.2	111.7	-174.5	-177.8	63.6	0	0	0	109.6	M358 L361 A377 N380 N408 I409	M358-L383 HydrophobicContact CE-CD1 3.82Å; M358-L383 VanDerWaalsContact O-CA 3.3Å; M358-L383 WeakPolarHBondContact O-CA 3.46Å; M358-L383 PolarHBondContact O-N 2.83Å; L361-L383 HydrophobicContact CB-CD1 4.12Å; A377-L383 HydrophobicContact CB-CD2 4.02Å; N380-L383 HydrophobicContact CB-CB 3.76Å; N380-L383 HydrophobicContact CB-CD2 4.4Å; N380-L383 PolarHBondContact O-N 3.29Å; L383-N408 CarbonylContact O-C 3.45Å; L383-N408 VanDerWaalsContact O-O 3.08Å; L383-I409 HydrophobicContact CD2-CD1 3.98Å; L383-I409 HydrophobicContact CG-CD1 3.76Å; L383-I409 PolarHBondContact O-N 2.86Å
384	K	94.9	Very high	86	Confident	108 Å²	108	47.1 Å²	47.1	47%	0.47	25%	0.245	S	C	.	.			trans	-102.2	-33.1	-174.3	-66.1	-174.5	-179.9	-176.6	0	114	Q359 T382 N408 I409 T410 G411	Q359-K384 PolarHBondContact O-N 3.49Å; T382-K384 PolarHBondContact O-N 2.92Å; K384-N408 WeakPolarHBondContact CA-O 3.31Å; K384-I409 CarbonylContact O-C 3.48Å; K384-I409 WeakPolarHBondContact O-CA 3.18Å; K384-T410 HydrophobicContact CB-CG2 4.39Å; K384-T410 HydrophobicContact CG-CG2 4.45Å; K384-T410 PolarHBondContact O-N 2.78Å; K384-T410 PolarHBondContact O-OG1 3.44Å; K384-T410 VanDerWaalsContact O-OG1 3.13Å; K384-G411 PolarHBondContact O-N 2.83Å
385	T	94.7	Very high	83.8	Confident	25 Å²	25	49.8 Å²	49.8	15%	0.153	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.6	-175.1	-172.7	0	0	0	0	112.2	Q360 L361 G411	Q360-T385 WeakPolarHBondContact CA-O 3.48Å; Q360-T385 HydrophobicContact CB-CG2 3.87Å; Q360-T385 HydrophobicContact CG-CG2 3.69Å; L361-T385 PolarHBondContact N-O 2.85Å; T385-G411 WeakPolarHBondContact CA-O 3.34Å; T385-G411 PolarHBondContact OG1-O 3.34Å
386	V	95.1	Very high	82.3	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.8	170	-173.7	0	0	0	0	107.3	L361 L363 I402 L404 I409 L412 D413 L416	L361-V386 HydrophobicContact CB-CG1 4.31Å; L361-V386 HydrophobicContact CB-CG2 4.24Å; L361-V386 HydrophobicContact CD2-CG1 4.3Å; L361-V386 HydrophobicContact CG-CG1 4.48Å; L361-V386 WeakPolarHBondContact O-CA 3.37Å; L363-V386 HydrophobicContact CD2-CG1 4.12Å; L363-V386 HydrophobicContact CG-CG1 4.49Å; V386-I402 HydrophobicContact CG1-CD1 4.44Å; V386-L404 HydrophobicContact CG2-CD1 3.87Å; V386-L404 HydrophobicContact CG2-CD2 4.21Å; V386-I409 HydrophobicContact CG2-CD1 4.36Å; V386-L412 HydrophobicContact CB-CD2 3.95Å; V386-L412 HydrophobicContact CG2-CD2 4.22Å; V386-D413 PolarHBondContact O-N 2.76Å; V386-L416 HydrophobicContact CB-CD1 4.17Å; V386-L416 HydrophobicContact CG1-CD1 4.06Å; V386-L416 HydrophobicContact CG1-CD2 4.46Å; V386-L416 WeakPolarHBondContact O-CD1 3.26Å
387	F	93.7	Very high	81.1	Confident	48 Å²	48	55.8 Å²	55.8	21%	0.211	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	173.5	-175.7	73.8	-77.4	0	0	0	111.3	Q360 L361 D362 L363 D413	Q360-F387 HydrophobicContact CB-CD1 4.16Å; Q360-F387 HydrophobicContact CB-CE1 3.69Å; L361-F387 WeakPolarHBondContact O-CD1 3.37Å; L361-F387 PolarHBondContact O-N 3.4Å; D362-F387 WeakPolarHBondContact CA-O 3.42Å; D362-F387 HydrophobicContact CB-CD1 4.42Å; D362-F387 HydrophobicContact CB-CE1 3.74Å; D362-F387 HydrophobicContact CB-CE2 3.92Å; D362-F387 HydrophobicContact CB-CZ 3.47Å; D362-F387 VanDerWaalsContact CB-CZ 3.47Å; L363-F387 PolarHBondContact N-O 3.35Å; F387-D413 HydrophobicContact CB-CB 3.49Å; F387-D413 VanDerWaalsContact CB-CB 3.49Å
388	S	89.5	Confident	80.6	Confident	3 Å²	3	57 Å²	57	2%	0.021	31%	0.306	C	S	.	.			trans	-129.6	117.4	169.5	-179.6	0	0	0	0	109.3	K390 L393 S415	S388-K390 PolarHBondContact O-N 2.75Å; S388-K390 PolarHBondContact OG-O 2.8Å; S388-L393 WeakPolarHBondContact OG-CD2 3.4Å; S388-S415 PolarHBondContact N-OG 2.92Å; S388-S415 WeakPolarHBondContact O-CB 3.5Å; S388-S415 PolarHBondContact O-OG 3.09Å
389	S	86.8	Confident	80.4	Confident	59 Å²	59	56.5 Å²	56.5	41%	0.413	30%	0.302	S	S	.	.	S	Bend	trans	-62.1	-26.2	177.4	64.1	0	0	0	0	113.7	D362 E364	D362-S389 PolarHBondContact OD1-N 3.21Å; D362-S389 VanDerWaalsContact OD1-N 3.11Å; D362-S389 WeakPolarHBondContact OD2-CB 3.44Å; D362-S389 PolarHBondContact OD2-OG 2.87Å; E364-S389 WeakPolarHBondContact CB-OG 3.42Å; E364-S389 VanDerWaalsContact CD-OG 3.22Å; E364-S389 PolarHBondContact OE2-OG 2.56Å
390	K	76.2	Confident	80.2	Confident	102 Å²	102	58.8 Å²	58.8	44%	0.443	31%	0.311	S	S	.	.			trans	-109.1	131.7	177.2	-77.4	-176.6	177.7	150.8	0	111.3	E364 S388	E364-K390 WeakPolarHBondContact OE1-CD 3.4Å; E364-K390 WeakPolarHBondContact OE1-CE 3.37Å; E364-K390 IonicContact OE1-NZ 2.75Å; E364-K390 PolarHBondContact OE1-NZ 3.14Å; S388-K390 PolarHBondContact O-N 2.75Å; S388-K390 PolarHBondContact OG-O 2.8Å
391	N	57.6	Low	80.2	Confident	96 Å²	96	61.8 Å²	61.8	51%	0.513	33%	0.325	S	S	.	.	S	Bend	trans	-80.2	-29.5	178.6	-68.7	-18	0	0	0	113.3	L393	N391-L393 PolarHBondContact O-N 2.88Å
392	N	53.5	Low	80.3	Confident	118 Å²	118	57.6 Å²	57.6	63%	0.631	30%	0.298	S	S	*	.			trans	-92.9	76	-177.8	-83.9	2	0	0	0	111.4	E394	N392-E394 PolarHBondContact O-N 3.06Å; N392-E394 VanDerWaalsContact O-N 3.08Å
393	L	58.1	Low	80.4	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.073	29%	0.294	C	S	.	.			trans	-74.4	9.3	-178.4	-68.3	167.2	0	0	0	113.2	S388 N391 S395 Y397 W419 R422	S388-L393 WeakPolarHBondContact OG-CD2 3.4Å; N391-L393 PolarHBondContact O-N 2.88Å; L393-S395 VanDerWaalsContact C-N 3.32Å; L393-S395 PolarHBondContact O-N 2.83Å; L393-Y397 HydrophobicContact CD2-CE1 3.62Å; L393-Y397 WeakPolarHBondContact CD2-OH 3.34Å; L393-W419 HydrophobicContact CD1-CB 3.54Å; L393-R422 VanDerWaalsContact CB-NH2 3.33Å; L393-R422 PolarHBondContact O-NH1 2.7Å; L393-R422 PolarHBondContact O-NH2 2.88Å
394	E	51	Low	80.5	Confident	114 Å²	114	57.6 Å²	57.6	53%	0.533	30%	0.295	S	S	.	.	S	Bend	trans	-61.4	-8.6	-152	-83.3	-160.1	156.9	0	0	118.5	N392	N392-E394 PolarHBondContact O-N 3.06Å; N392-E394 VanDerWaalsContact O-N 3.08Å
395	S	50.5	Low	80.5	Confident	111 Å²	111	57.1 Å²	57.1	78%	0.776	29%	0.291	S	S	*	.	S	Bend	trans	-157.6	1.3	179.2	-61.7	0	0	0	0	118.8	L393	L393-S395 VanDerWaalsContact C-N 3.32Å; L393-S395 PolarHBondContact O-N 2.83Å
396	E	64.2	Low	80.5	Confident	128 Å²	128	59.8 Å²	59.8	60%	0.598	30%	0.304	S	S	*	.	S	Bend	trans	-114.5	8.2	-151.9	-67	-165.8	168.3	0	0	118.1	L367 G368	L367-E396 HydrophobicContact CD1-CB 3.31Å; L367-E396 HydrophobicContact CD1-CG 4.46Å; L367-E396 HydrophobicContact CG-CB 4.37Å; G368-E396 PolarHBondContact N-O 2.84Å
397	Y	71.8	Confident	80.5	Confident	28 Å²	28	60.3 Å²	60.3	11%	0.11	31%	0.307	C	S	.	.			trans	-152.5	157.5	169.8	54.1	-106.3	0	0	0	113.7	L367 S369 L393 L399 W419	L367-Y397 HydrophobicContact CD1-CD1 3.84Å; L367-Y397 HydrophobicContact CD1-CE1 4.49Å; S369-Y397 WeakPolarHBondContact O-CA 3.33Å; L393-Y397 HydrophobicContact CD2-CE1 3.62Å; L393-Y397 WeakPolarHBondContact CD2-OH 3.34Å; Y397-L399 HydrophobicContact CD2-CB 3.47Å; Y397-L399 VanDerWaalsContact CD2-CB 3.47Å; Y397-L399 HydrophobicContact CE2-CB 3.72Å; Y397-L399 HydrophobicContact CE2-CD2 4.31Å; Y397-W419 AromaticContact CE2-CD1 3.73Å; Y397-W419 AromaticContact CE2-NE1 3.83Å
398	A	85.9	Confident	80.4	Confident	26 Å²	26	60.4 Å²	60.4	22%	0.215	31%	0.31	C	S	.	.			trans	-85.7	-1.1	-176.6	0	0	0	0	0	115.2	S369 T370 L372 T373 K400	S369-A398 PolarHBondContact O-N 2.75Å; T370-A398 VanDerWaalsContact O-CB 3.31Å; T370-A398 WeakPolarHBondContact O-CB 3.49Å; L372-A398 CarbonylContact O-C 3.35Å; L372-A398 VanDerWaalsContact O-C 3.25Å; T373-A398 WeakPolarHBondContact CA-O 3.34Å; T373-A398 HydrophobicContact CG2-CB 4.19Å; A398-K400 PolarHBondContact O-N 3.29Å
399	L	90.7	Very high	80.7	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.037	31%	0.309	C	S	.	.			trans	-58.3	121.9	-175.3	-174.5	69.1	0	0	0	112.4	L363 L372 I375 Y397 I402 W419	L363-L399 HydrophobicContact CD1-CD2 4.4Å; L363-L399 HydrophobicContact CD2-CD2 3.92Å; L372-L399 HydrophobicContact CD2-CD1 3.83Å; L372-L399 WeakPolarHBondContact O-CA 3.26Å; L372-L399 PolarHBondContact O-N 3.21Å; L372-L399 VanDerWaalsContact O-N 3.09Å; I375-L399 HydrophobicContact CB-CD1 4.39Å; I375-L399 HydrophobicContact CD1-CD1 3.48Å; I375-L399 VanDerWaalsContact CD1-CD1 3.48Å; I375-L399 HydrophobicContact CD1-CD2 3.64Å; I375-L399 HydrophobicContact CD1-CG 4.22Å; I375-L399 HydrophobicContact CG1-CD1 3.61Å; Y397-L399 HydrophobicContact CD2-CB 3.47Å; Y397-L399 VanDerWaalsContact CD2-CB 3.47Å; Y397-L399 HydrophobicContact CE2-CB 3.72Å; Y397-L399 HydrophobicContact CE2-CD2 4.31Å; L399-I402 HydrophobicContact CD2-CD1 4.24Å; L399-I402 HydrophobicContact CD2-CG1 4.22Å; L399-W419 HydrophobicContact CD2-CZ2 4.2Å; L399-W419 HydrophobicContact CG-CZ2 4.14Å; L399-W419 PolarHBondContact O-NE1 3.04Å; L399-W419 VanDerWaalsContact O-NE1 3.07Å
400	K	91.5	Very high	81	Confident	117 Å²	117	60.3 Å²	60.3	51%	0.509	31%	0.307	S	S	.	.			trans	-114.7	-42.1	178.4	-67.9	177.5	-176.9	-178.8	0	111.8	T373 A398 S425 K426	T373-K400 WeakPolarHBondContact O-CA 3.44Å; T373-K400 PolarHBondContact O-N 3.48Å; A398-K400 PolarHBondContact O-N 3.29Å; K400-S425 CarbonylContact O-C 3.46Å; K400-S425 WeakPolarHBondContact O-CA 3.13Å; K400-K426 PolarHBondContact O-N 2.91Å
401	E	94.6	Very high	81.8	Confident	64 Å²	64	56.2 Å²	56.2	30%	0.299	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.6	-169.9	-59.9	-172.6	179.8	0	0	112.5	T373 K374 I375 H403 K426	T373-E401 PolarHBondContact O-N 3.26Å; K374-E401 CarbonylContact C-O 3.5Å; K374-E401 WeakPolarHBondContact CA-O 3.45Å; K374-E401 HydrophobicContact CB-CB 4.41Å; K374-E401 HydrophobicContact CG-CB 4.15Å; K374-E401 IonicContact NZ-OE2 3.48Å; K374-E401 PolarHBondContact NZ-OE2 2.81Å; I375-E401 PolarHBondContact N-O 2.81Å; E401-H403 IonicContact OE2-CD2 3.98Å; E401-H403 IonicContact OE2-CE1 3.51Å; E401-H403 IonicContact OE2-NE2 2.84Å; E401-H403 PolarHBondContact OE2-NE2 3.2Å; E401-K426 CarbonylContact C-O 3.57Å; E401-K426 WeakPolarHBondContact CA-O 3.39Å; E401-K426 HydrophobicContact CG-CB 4.3Å
402	I	96.1	Very high	83.5	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.9	167.9	-57	172	0	0	0	107.9	L363 I375 V386 L399 L404 W419 K426 V427 I428	L363-I402 HydrophobicContact CD1-CD1 4.1Å; L363-I402 HydrophobicContact CD2-CD1 3.54Å; L363-I402 HydrophobicContact CG-CD1 4.44Å; I375-I402 HydrophobicContact CD1-CG1 4.43Å; I375-I402 CarbonylContact O-C 3.18Å; I375-I402 WeakPolarHBondContact O-CA 3.46Å; V386-I402 HydrophobicContact CG1-CD1 4.44Å; L399-I402 HydrophobicContact CD2-CD1 4.24Å; L399-I402 HydrophobicContact CD2-CG1 4.22Å; I402-L404 HydrophobicContact CG2-CD2 3.66Å; I402-L404 HydrophobicContact CG2-CG 3.93Å; I402-W419 HydrophobicContact CB-CH2 4.29Å; I402-W419 HydrophobicContact CD1-CE3 4.49Å; I402-W419 HydrophobicContact CD1-CH2 3.31Å; I402-W419 HydrophobicContact CD1-CZ2 4Å; I402-W419 HydrophobicContact CD1-CZ3 3.58Å; I402-W419 HydrophobicContact CG1-CH2 3.55Å; I402-W419 HydrophobicContact CG1-CZ2 4.09Å; I402-W419 HydrophobicContact CG1-CZ3 4.3Å; I402-K426 PolarHBondContact N-O 3.07Å; I402-V427 HydrophobicContact CB-CG2 4.32Å; I402-V427 HydrophobicContact CD1-CG2 4.48Å; I402-V427 CarbonylContact O-C 3.49Å; I402-V427 WeakPolarHBondContact O-CA 3.36Å; I402-I428 PolarHBondContact O-N 3.05Å
403	H	97	Very high	85.4	Confident	36 Å²	36	50.2 Å²	50.2	17%	0.167	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.2	176.7	-64.3	-126.9	0	0	0	107.7	K374 I375 V376 A377 E401 I428	K374-H403 VanDerWaalsContact CE-CD2 3.47Å; K374-H403 WeakPolarHBondContact CE-CD2 3.4Å; K374-H403 WeakPolarHBondContact CE-NE2 3.47Å; K374-H403 PolarHBondContact NZ-CE1 3.28Å; K374-H403 PolarHBondContact NZ-NE2 2.78Å; I375-H403 PolarHBondContact O-N 2.91Å; V376-H403 CarbonylContact C-O 3.57Å; V376-H403 HydrophobicContact CB-CB 4.43Å; V376-H403 HydrophobicContact CG1-CB 4.24Å; V376-H403 HydrophobicContact CG2-CB 4.2Å; A377-H403 PolarHBondContact N-O 2.73Å; E401-H403 IonicContact OE2-CD2 3.98Å; E401-H403 IonicContact OE2-CE1 3.51Å; E401-H403 IonicContact OE2-NE2 2.84Å; E401-H403 PolarHBondContact OE2-NE2 3.2Å; H403-I428 WeakPolarHBondContact CE1-CD1 3.34Å
404	L	96.9	Very high	87	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	93.2	179.1	-55.9	179.8	0	0	0	107.8	A377 V386 I402 N407 I409 L412 V427 I428 I429 E430	A377-L404 HydrophobicContact CB-CD2 3.78Å; A377-L404 WeakPolarHBondContact O-CA 2.95Å; V386-L404 HydrophobicContact CG2-CD1 3.87Å; V386-L404 HydrophobicContact CG2-CD2 4.21Å; I402-L404 HydrophobicContact CG2-CD2 3.66Å; I402-L404 HydrophobicContact CG2-CG 3.93Å; L404-N407 VanDerWaalsContact C-ND2 3.34Å; L404-N407 WeakPolarHBondContact CA-ND2 3.48Å; L404-I409 HydrophobicContact CD1-CD1 4.15Å; L404-I409 HydrophobicContact CD1-CG1 4.08Å; L404-L412 HydrophobicContact CD1-CD2 4.2Å; L404-V427 HydrophobicContact CD1-CG1 4.39Å; L404-I428 PolarHBondContact N-O 3.32Å; L404-I429 HydrophobicContact CB-CG1 4.49Å; L404-I429 HydrophobicContact CB-CG2 4.42Å; L404-I429 HydrophobicContact CD1-CD1 4.47Å; L404-I429 HydrophobicContact CD1-CG1 4.24Å; L404-I429 WeakPolarHBondContact O-CA 3.35Å; L404-E430 PolarHBondContact O-N 3.34Å
405	Y	95.6	Very high	88.8	Confident	99 Å²	99	50.3 Å²	50.3	39%	0.388	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.9	-179	-179	-93.6	0	0	0	111.6	A377 T378 E379 N407 E430 Q431	A377-Y405 PolarHBondContact O-N 2.7Å; T378-Y405 WeakPolarHBondContact CA-O 3.1Å; T378-Y405 WeakPolarHBondContact OG1-CD1 3.43Å; E379-Y405 PolarHBondContact N-O 2.81Å; E379-Y405 VanDerWaalsContact N-O 3.14Å; Y405-N407 VanDerWaalsContact C-N 3.33Å; Y405-N407 PolarHBondContact N-ND2 3.02Å; Y405-N407 VanDerWaalsContact N-ND2 3.14Å; Y405-N407 PolarHBondContact O-N 2.95Å; Y405-N407 PolarHBondContact O-ND2 2.85Å; Y405-N407 VanDerWaalsContact O-ND2 3.12Å; Y405-E430 WeakPolarHBondContact CA-O 3.46Å; Y405-E430 HydrophobicContact CD2-CB 3.76Å; Y405-E430 HydrophobicContact CE2-CB 4.37Å; Y405-Q431 HydrophobicContact CD2-CG 4.38Å; Y405-Q431 HydrophobicContact CE2-CB 4.38Å; Y405-Q431 HydrophobicContact CE2-CG 3.7Å
406	N	94.9	Very high	90.6	Very high	80 Å²	80	45 Å²	45	43%	0.428	22%	0.222	S	C	.	.	S	Bend	trans	52.2	49.9	172.5	-165.9	30.4	0	0	0	113	E379 E430 Q431	E379-N406 VanDerWaalsContact CA-O 3.25Å; E379-N406 WeakPolarHBondContact CA-O 3.46Å; E379-N406 HydrophobicContact CG-CB 4.46Å; E379-N406 PolarHBondContact N-O 3.08Å; N406-E430 PolarHBondContact N-O 2.91Å; N406-Q431 VanDerWaalsContact CA-O 3.27Å; N406-Q431 WeakPolarHBondContact CA-O 3.2Å; N406-Q431 HydrophobicContact CB-CB 4.46Å
407	N	94	Very high	91.7	Very high	13 Å²	13	39.2 Å²	39.2	7%	0.07	20%	0.195	C	C	.	.			trans	-113.4	-174.7	177.4	-61.1	-67.4	0	0	0	110	A377 N380 L404 Y405 I409 N432	A377-N407 PolarHBondContact O-ND2 3.17Å; N380-N407 WeakPolarHBondContact CA-OD1 3.32Å; N380-N407 VanDerWaalsContact CB-OD1 3.23Å; N380-N407 WeakPolarHBondContact CB-OD1 3.5Å; N380-N407 PolarHBondContact N-OD1 2.96Å; N380-N407 PolarHBondContact ND2-OD1 3.43Å; N380-N407 VanDerWaalsContact ND2-OD1 3.14Å; L404-N407 VanDerWaalsContact C-ND2 3.34Å; L404-N407 WeakPolarHBondContact CA-ND2 3.48Å; Y405-N407 VanDerWaalsContact C-N 3.33Å; Y405-N407 PolarHBondContact N-ND2 3.02Å; Y405-N407 VanDerWaalsContact N-ND2 3.14Å; Y405-N407 PolarHBondContact O-N 2.95Å; Y405-N407 PolarHBondContact O-ND2 2.85Å; Y405-N407 VanDerWaalsContact O-ND2 3.12Å; N407-I409 HydrophobicContact CB-CD1 4.34Å; N407-I409 HydrophobicContact CB-CG1 3.95Å; N407-N432 PolarHBondContact O-OD1 2.78Å
408	N	92.6	Very high	92.2	Very high	50 Å²	50	39.6 Å²	39.6	27%	0.267	20%	0.199	S	C	.	.			trans	-117.4	47.2	175.5	-164.1	28.8	0	0	0	111.9	P381 L383 K384 T410	P381-N408 VanDerWaalsContact O-CB 3.31Å; P381-N408 WeakPolarHBondContact O-CB 3.41Å; L383-N408 CarbonylContact O-C 3.45Å; L383-N408 VanDerWaalsContact O-O 3.08Å; K384-N408 WeakPolarHBondContact CA-O 3.31Å; N408-T410 PolarHBondContact O-N 2.96Å
409	I	95.3	Very high	92.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.			trans	-67.4	114.2	-178.1	-56.1	-66.9	0	0	0	108.9	L383 K384 V386 L404 N407 G411 L412 N432 F435	L383-I409 HydrophobicContact CD2-CD1 3.98Å; L383-I409 HydrophobicContact CG-CD1 3.76Å; L383-I409 PolarHBondContact O-N 2.86Å; K384-I409 CarbonylContact O-C 3.48Å; K384-I409 WeakPolarHBondContact O-CA 3.18Å; V386-I409 HydrophobicContact CG2-CD1 4.36Å; L404-I409 HydrophobicContact CD1-CD1 4.15Å; L404-I409 HydrophobicContact CD1-CG1 4.08Å; N407-I409 HydrophobicContact CB-CD1 4.34Å; N407-I409 HydrophobicContact CB-CG1 3.95Å; I409-G411 VanDerWaalsContact CG2-O 3.31Å; I409-G411 WeakPolarHBondContact CG2-O 3.27Å; I409-L412 HydrophobicContact CG2-CD2 4.48Å; I409-N432 WeakPolarHBondContact CB-OD1 3.33Å; I409-N432 PolarHBondContact N-OD1 3.26Å; I409-N432 PolarHBondContact O-ND2 3.04Å; I409-F435 HydrophobicContact CG2-CD2 4.1Å; I409-F435 HydrophobicContact CG2-CE2 3.86Å; I409-F435 WeakPolarHBondContact O-CD2 3.36Å
410	T	93.5	Very high	92.2	Very high	60 Å²	60	38.2 Å²	38.2	37%	0.368	19%	0.188	S	C	.	.			trans	-83.8	-22.2	174.4	61.4	0	0	0	0	112.3	K384 N408 F434 D436	K384-T410 HydrophobicContact CB-CG2 4.39Å; K384-T410 HydrophobicContact CG-CG2 4.45Å; K384-T410 PolarHBondContact O-N 2.78Å; K384-T410 PolarHBondContact O-OG1 3.44Å; K384-T410 VanDerWaalsContact O-OG1 3.13Å; N408-T410 PolarHBondContact O-N 2.96Å; T410-F434 VanDerWaalsContact CA-O 3.32Å; T410-F434 WeakPolarHBondContact CA-O 3.46Å; T410-D436 VanDerWaalsContact O-CB 3.23Å; T410-D436 WeakPolarHBondContact O-CB 2.91Å; T410-D436 PolarHBondContact O-N 3.46Å
411	G	92.6	Very high	91.8	Very high	16 Å²	16	33.6 Å²	33.6	17%	0.165	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	168.9	176.7	0	0	0	0	0	112.7	K384 T385 I409	K384-G411 PolarHBondContact O-N 2.83Å; T385-G411 WeakPolarHBondContact CA-O 3.34Å; T385-G411 PolarHBondContact OG1-O 3.34Å; I409-G411 VanDerWaalsContact CG2-O 3.31Å; I409-G411 WeakPolarHBondContact CG2-O 3.27Å
412	L	94	Very high	91.3	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.073	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.8	165.8	-66.7	-177.4	0	0	0	108.1	V386 L404 I409 L416 V427 I429 F435 W444 L445 L457	V386-L412 HydrophobicContact CB-CD2 3.95Å; V386-L412 HydrophobicContact CG2-CD2 4.22Å; L404-L412 HydrophobicContact CD1-CD2 4.2Å; I409-L412 HydrophobicContact CG2-CD2 4.48Å; L412-L416 HydrophobicContact CB-CD1 4.21Å; L412-L416 HydrophobicContact CD2-CD1 4.14Å; L412-V427 HydrophobicContact CD1-CG1 4.12Å; L412-I429 HydrophobicContact CD1-CD1 3.99Å; L412-I429 HydrophobicContact CG-CD1 4.25Å; L412-F435 HydrophobicContact CG-CE2 4.42Å; L412-F435 HydrophobicContact CG-CZ 4.34Å; L412-W444 HydrophobicContact CB-CH2 4.21Å; L412-W444 HydrophobicContact CB-CZ2 3.81Å; L412-W444 WeakPolarHBondContact O-CZ2 3.28Å; L412-L445 HydrophobicContact CB-CD1 4.48Å; L412-L445 HydrophobicContact CB-CD2 4.41Å; L412-L445 HydrophobicContact CD1-CD1 4.48Å; L412-L445 HydrophobicContact CD1-CD2 3.84Å; L412-L457 HydrophobicContact CD1-CD1 4.45Å
413	D	92.6	Very high	90.7	Very high	74 Å²	74	42.7 Å²	42.7	40%	0.396	21%	0.21	S	C	.	.			trans	-76.7	144.1	-180	-169.8	-89.6	0	0	0	111.7	V386 F387 S415 L416 W444	V386-D413 PolarHBondContact O-N 2.76Å; F387-D413 HydrophobicContact CB-CB 3.49Å; F387-D413 VanDerWaalsContact CB-CB 3.49Å; D413-S415 PolarHBondContact O-N 2.86Å; D413-S415 VanDerWaalsContact O-N 3.14Å; D413-S415 WeakPolarHBondContact OD1-CB 3.4Å; D413-S415 PolarHBondContact OD1-N 3.27Å; D413-S415 PolarHBondContact OD1-OG 3.07Å; D413-L416 WeakPolarHBondContact O-CB 3.42Å; D413-L416 WeakPolarHBondContact O-CG 3.37Å; D413-L416 PolarHBondContact O-N 3.33Å; D413-L416 VanDerWaalsContact O-N 3.09Å; D413-W444 WeakPolarHBondContact O-CZ2 3.5Å
414	Y	90.5	Very high	90.2	Very high	118 Å²	118	42.9 Å²	42.9	46%	0.463	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-59.3	-25.2	179.9	178.8	-98	0	0	0	113	L416 S417 W444	Y414-L416 PolarHBondContact O-N 2.84Å; Y414-S417 VanDerWaalsContact O-CB 3.28Å; Y414-S417 WeakPolarHBondContact O-CB 3.23Å; Y414-S417 PolarHBondContact O-N 2.84Å; Y414-S417 PolarHBondContact O-OG 2.88Å; Y414-W444 HydrophobicContact CD2-CB 3.61Å; Y414-W444 AromaticContact CD2-CD1 3.98Å; Y414-W444 AromaticContact CD2-CD2 3.96Å; Y414-W444 HydrophobicContact CD2-CD2 3.96Å; Y414-W444 HydrophobicContact CD2-CE3 4.49Å; Y414-W444 AromaticContact CD2-CG 3.56Å; Y414-W444 HydrophobicContact CD2-CG 3.56Å; Y414-W444 HydrophobicContact CE2-CB 3.76Å; Y414-W444 HydrophobicContact CE2-CG 4.21Å
415	S	89.3	Confident	89.8	Confident	11 Å²	11	43 Å²	43	8%	0.077	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-54.4	-18.6	173.6	55.7	0	0	0	0	114.4	S388 D413 S417	S388-S415 PolarHBondContact N-OG 2.92Å; S388-S415 WeakPolarHBondContact O-CB 3.5Å; S388-S415 PolarHBondContact O-OG 3.09Å; D413-S415 PolarHBondContact O-N 2.86Å; D413-S415 VanDerWaalsContact O-N 3.14Å; D413-S415 WeakPolarHBondContact OD1-CB 3.4Å; D413-S415 PolarHBondContact OD1-N 3.27Å; D413-S415 PolarHBondContact OD1-OG 3.07Å; S415-S417 VanDerWaalsContact C-N 3.29Å; S415-S417 PolarHBondContact O-N 3.23Å
416	L	89	Confident	89.7	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-76.9	-10.6	174.9	-60.9	-177.8	0	0	0	113.9	L363 V386 L412 D413 Y414 D418 W419 L420 W444	L363-L416 HydrophobicContact CD1-CD2 3.41Å; L363-L416 VanDerWaalsContact CD1-CD2 3.41Å; L363-L416 HydrophobicContact CG-CD2 3.82Å; V386-L416 HydrophobicContact CB-CD1 4.17Å; V386-L416 HydrophobicContact CG1-CD1 4.06Å; V386-L416 HydrophobicContact CG1-CD2 4.46Å; V386-L416 WeakPolarHBondContact O-CD1 3.26Å; L412-L416 HydrophobicContact CB-CD1 4.21Å; L412-L416 HydrophobicContact CD2-CD1 4.14Å; D413-L416 WeakPolarHBondContact O-CB 3.42Å; D413-L416 WeakPolarHBondContact O-CG 3.37Å; D413-L416 PolarHBondContact O-N 3.33Å; D413-L416 VanDerWaalsContact O-N 3.09Å; Y414-L416 PolarHBondContact O-N 2.84Å; L416-D418 VanDerWaalsContact C-N 3.33Å; L416-D418 PolarHBondContact O-N 3.28Å; L416-W419 PolarHBondContact O-N 3.14Å; L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 PolarHBondContact O-N 2.79Å; L416-W444 HydrophobicContact CB-CH2 4.03Å
417	S	87	Confident	89.7	Confident	5 Å²	5	37.6 Å²	37.6	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-54.9	-45.4	-172.7	66.4	0	0	0	0	112.9	Y414 S415 W419 S421	Y414-S417 VanDerWaalsContact O-CB 3.28Å; Y414-S417 WeakPolarHBondContact O-CB 3.23Å; Y414-S417 PolarHBondContact O-N 2.84Å; Y414-S417 PolarHBondContact O-OG 2.88Å; S415-S417 VanDerWaalsContact C-N 3.29Å; S415-S417 PolarHBondContact O-N 3.23Å; S417-W419 VanDerWaalsContact C-N 3.35Å; S417-W419 PolarHBondContact O-N 3.49Å; S417-S421 VanDerWaalsContact O-CB 3.23Å; S417-S421 WeakPolarHBondContact O-CB 3.45Å; S417-S421 PolarHBondContact O-N 2.9Å; S417-S421 PolarHBondContact O-OG 2.98Å
418	D	83.4	Confident	89.8	Confident	37 Å²	37	37.7 Å²	37.7	20%	0.198	20%	0.198	C	C	.	.	H	α-helix	trans	-72.8	-27.9	-175.1	-72.6	-3.3	0	0	0	112.4	L416 R422 R501	L416-D418 VanDerWaalsContact C-N 3.33Å; L416-D418 PolarHBondContact O-N 3.28Å; D418-R422 WeakPolarHBondContact O-CG 3.41Å; D418-R422 PolarHBondContact O-NE 3.27Å; D418-R501 IonicContact OD2-NH1 3.67Å
419	W	86.6	Confident	89.9	Confident	1 Å²	1	35.4 Å²	35.4	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-80.4	-47.9	173.1	170.1	79.5	0	0	0	111.4	L363 L393 Y397 L399 I402 L416 S417 S421 R422 S425 V427	L363-W419 HydrophobicContact CD1-CD2 3.94Å; L363-W419 HydrophobicContact CD1-CE3 3.89Å; L363-W419 HydrophobicContact CD1-CG 4.33Å; L363-W419 HydrophobicContact CD1-CZ3 4.36Å; L393-W419 HydrophobicContact CD1-CB 3.54Å; Y397-W419 AromaticContact CE2-CD1 3.73Å; Y397-W419 AromaticContact CE2-NE1 3.83Å; L399-W419 HydrophobicContact CD2-CZ2 4.2Å; L399-W419 HydrophobicContact CG-CZ2 4.14Å; L399-W419 PolarHBondContact O-NE1 3.04Å; L399-W419 VanDerWaalsContact O-NE1 3.07Å; I402-W419 HydrophobicContact CB-CH2 4.29Å; I402-W419 HydrophobicContact CD1-CE3 4.49Å; I402-W419 HydrophobicContact CD1-CH2 3.31Å; I402-W419 HydrophobicContact CD1-CZ2 4Å; I402-W419 HydrophobicContact CD1-CZ3 3.58Å; I402-W419 HydrophobicContact CG1-CH2 3.55Å; I402-W419 HydrophobicContact CG1-CZ2 4.09Å; I402-W419 HydrophobicContact CG1-CZ3 4.3Å; L416-W419 PolarHBondContact O-N 3.14Å; S417-W419 VanDerWaalsContact C-N 3.35Å; S417-W419 PolarHBondContact O-N 3.49Å; W419-S421 PolarHBondContact O-N 2.87Å; W419-R422 WeakPolarHBondContact O-CB 3.37Å; W419-R422 WeakPolarHBondContact O-CG 3.42Å; W419-R422 PolarHBondContact O-N 3.18Å; W419-S425 WeakPolarHBondContact O-CB 3.24Å; W419-S425 PolarHBondContact O-OG 3.18Å; W419-S425 VanDerWaalsContact O-OG 3.11Å; W419-V427 HydrophobicContact CH2-CG2 3.81Å; W419-V427 HydrophobicContact CZ3-CG2 3.46Å; W419-V427 VanDerWaalsContact CZ3-CG2 3.46Å
420	L	88.5	Confident	89.9	Confident	2 Å²	2	38 Å²	38	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-66.9	-18.8	-178.8	-162.4	62.8	0	0	0	113.2	L416 R422 V427 W444 L445 V448 Q456	L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 PolarHBondContact O-N 2.79Å; L420-R422 VanDerWaalsContact C-N 3.31Å; L420-V427 HydrophobicContact CD1-CB 4.09Å; L420-V427 HydrophobicContact CD1-CG2 3.58Å; L420-W444 HydrophobicContact CD2-CZ3 4.22Å; L420-L445 HydrophobicContact CD2-CD2 4.34Å; L420-V448 HydrophobicContact CB-CG1 4.3Å; L420-V448 HydrophobicContact CD2-CB 4.5Å; L420-V448 HydrophobicContact CD2-CG1 3.82Å; L420-V448 HydrophobicContact CG-CG1 3.77Å; L420-Q456 HydrophobicContact CD1-CB 4.07Å; L420-Q456 HydrophobicContact CG-CB 4.07Å; L420-Q456 WeakPolarHBondContact O-CB 3.25Å; L420-Q456 VanDerWaalsContact O-CG 3.22Å; L420-Q456 WeakPolarHBondContact O-CG 3.43Å; L420-Q456 PolarHBondContact O-OE1 3.11Å; L420-Q456 VanDerWaalsContact O-OE1 3.1Å
421	S	84.7	Confident	90	Very high	21 Å²	21	39 Å²	39	15%	0.147	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.1	173.7	-63.5	0	0	0	0	114.1	S417 W419 F452	S417-S421 VanDerWaalsContact O-CB 3.23Å; S417-S421 WeakPolarHBondContact O-CB 3.45Å; S417-S421 PolarHBondContact O-N 2.9Å; S417-S421 PolarHBondContact O-OG 2.98Å; W419-S421 PolarHBondContact O-N 2.87Å; S421-F452 WeakPolarHBondContact O-CD1 3.46Å; S421-F452 VanDerWaalsContact OG-CZ 3.25Å; S421-F452 WeakPolarHBondContact OG-CZ 3.37Å
422	R	83.5	Confident	90	Very high	70 Å²	70	38.3 Å²	38.3	26%	0.264	19%	0.191	S	C	.	.	S	Bend	trans	-82.7	136.6	-176.4	-64.2	170.4	-174.7	-159	-8.8	111.8	L393 D418 W419 L420 G424 S425 Q456	L393-R422 VanDerWaalsContact CB-NH2 3.33Å; L393-R422 PolarHBondContact O-NH1 2.7Å; L393-R422 PolarHBondContact O-NH2 2.88Å; D418-R422 WeakPolarHBondContact O-CG 3.41Å; D418-R422 PolarHBondContact O-NE 3.27Å; W419-R422 WeakPolarHBondContact O-CB 3.37Å; W419-R422 WeakPolarHBondContact O-CG 3.42Å; W419-R422 PolarHBondContact O-N 3.18Å; L420-R422 VanDerWaalsContact C-N 3.31Å; R422-G424 PolarHBondContact O-N 3.48Å; R422-S425 VanDerWaalsContact O-CB 3.31Å; R422-S425 WeakPolarHBondContact O-CB 3.26Å; R422-S425 PolarHBondContact O-N 2.94Å; R422-S425 PolarHBondContact O-OG 2.8Å; R422-Q456 PolarHBondContact O-OE1 2.74Å
423	E	83	Confident	89.7	Confident	186 Å²	186	42.7 Å²	42.7	87%	0.869	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	128.6	173.9	-169.5	178.2	177.3	0	0	112.4	S425	E423-S425 VanDerWaalsContact C-N 3.3Å; E423-S425 PolarHBondContact O-N 3.49Å
424	G	86.3	Confident	89.5	Confident	40 Å²	40	44 Å²	44	41%	0.412	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-6.9	-178.6	0	0	0	0	0	115.2	R422	R422-G424 PolarHBondContact O-N 3.48Å
425	S	89.4	Confident	89.6	Confident	5 Å²	5	38.4 Å²	38.4	4%	0.035	19%	0.191	C	C	.	.			trans	-73.2	149.4	171.4	-57.7	0	0	0	0	110.4	K400 W419 R422 E423 Q456	K400-S425 CarbonylContact O-C 3.46Å; K400-S425 WeakPolarHBondContact O-CA 3.13Å; W419-S425 WeakPolarHBondContact O-CB 3.24Å; W419-S425 PolarHBondContact O-OG 3.18Å; W419-S425 VanDerWaalsContact O-OG 3.11Å; R422-S425 VanDerWaalsContact O-CB 3.31Å; R422-S425 WeakPolarHBondContact O-CB 3.26Å; R422-S425 PolarHBondContact O-N 2.94Å; R422-S425 PolarHBondContact O-OG 2.8Å; E423-S425 VanDerWaalsContact C-N 3.3Å; E423-S425 PolarHBondContact O-N 3.49Å; S425-Q456 PolarHBondContact O-NE2 2.75Å; S425-Q456 PolarHBondContact O-OE1 3.31Å
426	K	92.8	Very high	89.7	Confident	64 Å²	64	41.4 Å²	41.4	28%	0.278	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	131.3	-176.6	-160.2	176.7	180	-176.3	0	112	K400 E401 I402 I428 Q456	K400-K426 PolarHBondContact O-N 2.91Å; E401-K426 CarbonylContact C-O 3.57Å; E401-K426 WeakPolarHBondContact CA-O 3.39Å; E401-K426 HydrophobicContact CG-CB 4.3Å; I402-K426 PolarHBondContact N-O 3.07Å; K426-I428 HydrophobicContact CD-CD1 3.97Å; K426-I428 HydrophobicContact CD-CG1 4.07Å; K426-I428 HydrophobicContact CG-CD1 4.44Å; K426-I428 HydrophobicContact CG-CG1 4.09Å; K426-Q456 CarbonylContact C-O 3.59Å; K426-Q456 VanDerWaalsContact CA-O 3.26Å; K426-Q456 WeakPolarHBondContact CA-O 3.22Å
427	V	95.3	Very high	89.8	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.8	165.7	177.3	0	0	0	0	108.5	I402 L404 L412 W419 L420 I429 Q456 L457 V458	I402-V427 HydrophobicContact CB-CG2 4.32Å; I402-V427 HydrophobicContact CD1-CG2 4.48Å; I402-V427 CarbonylContact O-C 3.49Å; I402-V427 WeakPolarHBondContact O-CA 3.36Å; L404-V427 HydrophobicContact CD1-CG1 4.39Å; L412-V427 HydrophobicContact CD1-CG1 4.12Å; W419-V427 HydrophobicContact CH2-CG2 3.81Å; W419-V427 HydrophobicContact CZ3-CG2 3.46Å; W419-V427 VanDerWaalsContact CZ3-CG2 3.46Å; L420-V427 HydrophobicContact CD1-CB 4.09Å; L420-V427 HydrophobicContact CD1-CG2 3.58Å; V427-I429 HydrophobicContact CG1-CD1 4.26Å; V427-I429 HydrophobicContact CG1-CG1 3.79Å; V427-Q456 PolarHBondContact N-O 3.1Å; V427-L457 HydrophobicContact CB-CD1 4.11Å; V427-L457 HydrophobicContact CG1-CD1 4.16Å; V427-L457 WeakPolarHBondContact O-CA 3.28Å; V427-V458 PolarHBondContact O-N 2.91Å
428	I	95.6	Very high	89.8	Confident	15 Å²	15	44.1 Å²	44.1	8%	0.077	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.8	176	-61.2	165.3	0	0	0	106.6	I402 H403 L404 K426 E430 V458	I402-I428 PolarHBondContact O-N 3.05Å; H403-I428 WeakPolarHBondContact CE1-CD1 3.34Å; L404-I428 PolarHBondContact N-O 3.32Å; K426-I428 HydrophobicContact CD-CD1 3.97Å; K426-I428 HydrophobicContact CD-CG1 4.07Å; K426-I428 HydrophobicContact CG-CD1 4.44Å; K426-I428 HydrophobicContact CG-CG1 4.09Å; I428-E430 HydrophobicContact CG2-CG 3.84Å; I428-E430 WeakPolarHBondContact CG2-OE1 3.36Å; I428-V458 CarbonylContact C-O 3.6Å; I428-V458 WeakPolarHBondContact CA-O 3.47Å; I428-V458 HydrophobicContact CB-CB 4.42Å; I428-V458 HydrophobicContact CG1-CB 3.98Å; I428-V458 HydrophobicContact CG1-CG2 4.28Å; I428-V458 HydrophobicContact CG2-CB 4.32Å; I428-V458 HydrophobicContact CG2-CG1 4.35Å
429	I	95.8	Very high	89.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.8	176	-44.5	-175.3	0	0	0	108.3	L404 L412 V427 N432 F435 V458 V459 Q460 V462	L404-I429 HydrophobicContact CB-CG1 4.49Å; L404-I429 HydrophobicContact CB-CG2 4.42Å; L404-I429 HydrophobicContact CD1-CD1 4.47Å; L404-I429 HydrophobicContact CD1-CG1 4.24Å; L404-I429 WeakPolarHBondContact O-CA 3.35Å; L412-I429 HydrophobicContact CD1-CD1 3.99Å; L412-I429 HydrophobicContact CG-CD1 4.25Å; V427-I429 HydrophobicContact CG1-CD1 4.26Å; V427-I429 HydrophobicContact CG1-CG1 3.79Å; I429-N432 HydrophobicContact CG2-CB 4.09Å; I429-F435 HydrophobicContact CD1-CE2 3.91Å; I429-V458 PolarHBondContact N-O 3.43Å; I429-V459 WeakPolarHBondContact O-CA 3.39Å; I429-Q460 PolarHBondContact O-N 3.35Å; I429-V462 HydrophobicContact CB-CG2 4.01Å; I429-V462 HydrophobicContact CG2-CG2 3.65Å; I429-V462 WeakPolarHBondContact O-CG2 3.28Å
430	E	95.6	Very high	89.8	Confident	55 Å²	55	51.9 Å²	51.9	26%	0.257	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.8	-177.7	-65.2	-173.1	-170.9	0	0	111.2	L404 Y405 N406 I428 Q460	L404-E430 PolarHBondContact O-N 3.34Å; Y405-E430 WeakPolarHBondContact CA-O 3.46Å; Y405-E430 HydrophobicContact CD2-CB 3.76Å; Y405-E430 HydrophobicContact CE2-CB 4.37Å; N406-E430 PolarHBondContact N-O 2.91Å; I428-E430 HydrophobicContact CG2-CG 3.84Å; I428-E430 WeakPolarHBondContact CG2-OE1 3.36Å; E430-Q460 VanDerWaalsContact CA-O 3.28Å; E430-Q460 WeakPolarHBondContact CA-O 3.38Å; E430-Q460 HydrophobicContact CG-CB 4.08Å; E430-Q460 HydrophobicContact CG-CG 4.41Å
431	Q	94.1	Very high	89.7	Confident	80 Å²	80	53.3 Å²	53.3	37%	0.374	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56	62.7	175.4	-54.6	-65.7	-13.7	0	0	112.6	Y405 N406 Q460 N461	Y405-Q431 HydrophobicContact CD2-CG 4.38Å; Y405-Q431 HydrophobicContact CE2-CB 4.38Å; Y405-Q431 HydrophobicContact CE2-CG 3.7Å; N406-Q431 VanDerWaalsContact CA-O 3.27Å; N406-Q431 WeakPolarHBondContact CA-O 3.2Å; N406-Q431 HydrophobicContact CB-CB 4.46Å; Q431-Q460 PolarHBondContact N-O 2.94Å; Q431-Q460 VanDerWaalsContact N-O 3.1Å; Q431-N461 PolarHBondContact NE2-ND2 3.4Å
432	N	93.1	Very high	90	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.011	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129	-178.5	-170.4	94.4	0	0	0	110.2	N407 I409 I429 N461 V462 K463	N407-N432 PolarHBondContact O-OD1 2.78Å; I409-N432 WeakPolarHBondContact CB-OD1 3.33Å; I409-N432 PolarHBondContact N-OD1 3.26Å; I409-N432 PolarHBondContact O-ND2 3.04Å; I429-N432 HydrophobicContact CG2-CB 4.09Å; N432-N461 PolarHBondContact N-O 3.3Å; N432-V462 HydrophobicContact CB-CG1 4.17Å; N432-V462 HydrophobicContact CB-CG2 4.12Å; N432-V462 CarbonylContact O-C 3.58Å; N432-V462 WeakPolarHBondContact O-CA 3.43Å; N432-K463 PolarHBondContact O-N 3.39Å
433	E	86.9	Confident	90.3	Very high	107 Å²	107	51 Å²	51	50%	0.5	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-24.6	-168.1	-63.2	-145.9	119.8	0	0	115.6	K463	E433-K463 WeakPolarHBondContact O-CB 3.31Å; E433-K463 IonicContact OE1-NZ 3.8Å; E433-K463 PolarHBondContact OE1-NZ 3.03Å
434	F	88.6	Confident	90.6	Very high	100 Å²	100	43.1 Å²	43.1	44%	0.439	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	67.6	-169.7	-67.1	-80.1	0	0	0	112.2	T410	T410-F434 VanDerWaalsContact CA-O 3.32Å; T410-F434 WeakPolarHBondContact CA-O 3.46Å
435	F	93.5	Very high	90.9	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.5	176.1	-160.5	-82.2	0	0	0	111.5	I409 L412 I429 C437 V442 L445 V462 K463 C464 A465 L480	I409-F435 HydrophobicContact CG2-CD2 4.1Å; I409-F435 HydrophobicContact CG2-CE2 3.86Å; I409-F435 WeakPolarHBondContact O-CD2 3.36Å; L412-F435 HydrophobicContact CG-CE2 4.42Å; L412-F435 HydrophobicContact CG-CZ 4.34Å; I429-F435 HydrophobicContact CD1-CE2 3.91Å; F435-C437 PolarHBondContact O-N 3.45Å; F435-V442 HydrophobicContact CE1-CG1 3.92Å; F435-L445 HydrophobicContact CE1-CD1 4.29Å; F435-L445 HydrophobicContact CZ-CD1 4.05Å; F435-V462 HydrophobicContact CB-CG1 3.63Å; F435-V462 HydrophobicContact CD2-CG1 4.14Å; F435-V462 HydrophobicContact CG-CG1 3.99Å; F435-K463 PolarHBondContact N-O 2.02Å; F435-C464 CarbonylContact O-C 3.57Å; F435-C464 VanDerWaalsContact O-CA 3.27Å; F435-C464 WeakPolarHBondContact O-CA 3.27Å; F435-A465 PolarHBondContact O-N 3.11Å; F435-L480 HydrophobicContact CD1-CD1 3.8Å; F435-L480 HydrophobicContact CD1-CD2 3.84Å; F435-L480 HydrophobicContact CD1-CG 4.27Å; F435-L480 HydrophobicContact CD2-CD2 4.24Å; F435-L480 HydrophobicContact CE1-CD1 3.72Å; F435-L480 HydrophobicContact CE1-CD2 3.75Å; F435-L480 HydrophobicContact CE1-CG 4.35Å; F435-L480 HydrophobicContact CE2-CD2 4.14Å; F435-L480 HydrophobicContact CG-CD2 4.09Å; F435-L480 HydrophobicContact CZ-CD2 3.9Å
436	D	91.2	Very high	90.9	Very high	73 Å²	73	41.1 Å²	41.1	39%	0.39	21%	0.213	S	C	.	.			trans	-69.8	109.8	173.4	-178.3	3.6	0	0	0	110	T410 N438 V442	T410-D436 VanDerWaalsContact O-CB 3.23Å; T410-D436 WeakPolarHBondContact O-CB 2.91Å; T410-D436 PolarHBondContact O-N 3.46Å; D436-N438 VanDerWaalsContact OD1-CB 3.28Å; D436-N438 WeakPolarHBondContact OD1-CB 3Å; D436-N438 PolarHBondContact OD1-N 2.65Å; D436-V442 VanDerWaalsContact O-CG1 3.26Å; D436-V442 WeakPolarHBondContact O-CG1 3.44Å
437	C	90.5	Very high	90.8	Very high	10 Å²	10	38.2 Å²	38.2	7%	0.068	20%	0.201	C	C	.	.			trans	-102.9	15.8	-178.6	-65.4	0	0	0	0	113.2	F435 E439 C464 F477 A483	F435-C437 PolarHBondContact O-N 3.45Å; C437-E439 PolarHBondContact O-N 2.98Å; C437-C464 HydrophobicContact CB-CB 3.6Å; C437-C464 WeakPolarHBondContact CB-SG 3.18Å; C437-C464 WeakPolarHBondContact SG-CA 3.38Å; C437-C464 WeakPolarHBondContact SG-CB 3.28Å; C437-C464 CovalentContact SG-SG 2.02Å; C437-C464 PolarHBondContact SG-SG 2.89Å; C437-F477 HydrophobicContact CB-CB 4.2Å; C437-A483 HydrophobicContact CB-CB 4.09Å
438	N	87.3	Confident	90.4	Very high	54 Å²	54	38.1 Å²	38.1	29%	0.289	20%	0.201	S	C	.	.			trans	-57.3	140.2	174.2	-170.6	-26.9	0	0	0	109.8	D436 T440 A441 V442 E471	D436-N438 VanDerWaalsContact OD1-CB 3.28Å; D436-N438 WeakPolarHBondContact OD1-CB 3Å; D436-N438 PolarHBondContact OD1-N 2.65Å; N438-T440 PolarHBondContact O-N 3.03Å; N438-T440 PolarHBondContact OD1-N 3.42Å; N438-T440 PolarHBondContact OD1-OG1 3.18Å; N438-A441 HydrophobicContact CB-CB 4.37Å; N438-A441 WeakPolarHBondContact O-CB 3.45Å; N438-A441 PolarHBondContact O-N 3.14Å; N438-V442 WeakPolarHBondContact O-CG2 3.44Å; N438-V442 PolarHBondContact O-N 3.3Å; N438-E471 PolarHBondContact ND2-OE1 3.14Å
439	E	84.8	Confident	90	Very high	82 Å²	82	40.7 Å²	40.7	38%	0.383	21%	0.212	S	C	.	.	H	α-helix	trans	-51.9	-40.1	178.7	-177.2	171.4	-169.7	0	0	111.4	C437 A441 V442 S443 I487	C437-E439 PolarHBondContact O-N 2.98Å; E439-A441 VanDerWaalsContact C-N 3.33Å; E439-A441 PolarHBondContact O-N 3.03Å; E439-V442 PolarHBondContact O-N 2.95Å; E439-S443 WeakPolarHBondContact O-CB 3.3Å; E439-S443 PolarHBondContact O-N 3.32Å; E439-S443 PolarHBondContact O-OG 3.29Å; E439-I487 HydrophobicContact CG-CD1 4.31Å; E439-I487 HydrophobicContact CG-CG1 4.27Å
440	T	85	Confident	89.7	Confident	118 Å²	118	44.9 Å²	44.9	72%	0.724	23%	0.23	S	C	*	.	H	α-helix	trans	-65.8	-34.4	177.8	54.5	0	0	0	0	113.2	N438	N438-T440 PolarHBondContact O-N 3.03Å; N438-T440 PolarHBondContact OD1-N 3.42Å; N438-T440 PolarHBondContact OD1-OG1 3.18Å
441	A	86.6	Confident	89.3	Confident	32 Å²	32	43.3 Å²	43.3	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-76.9	-36	-179	0	0	0	0	0	112.1	N438 E439 W444	N438-A441 HydrophobicContact CB-CB 4.37Å; N438-A441 WeakPolarHBondContact O-CB 3.45Å; N438-A441 PolarHBondContact O-N 3.14Å; E439-A441 VanDerWaalsContact C-N 3.33Å; E439-A441 PolarHBondContact O-N 3.03Å; A441-W444 PolarHBondContact O-NE1 2.95Å; A441-W444 VanDerWaalsContact O-NE1 3.08Å
442	V	90.8	Very high	88.9	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-109.5	-5.4	-170.7	-58.5	0	0	0	0	115.2	F435 D436 N438 E439 W444 L445 A446 L480 A483 L484 I487	F435-V442 HydrophobicContact CE1-CG1 3.92Å; D436-V442 VanDerWaalsContact O-CG1 3.26Å; D436-V442 WeakPolarHBondContact O-CG1 3.44Å; N438-V442 WeakPolarHBondContact O-CG2 3.44Å; N438-V442 PolarHBondContact O-N 3.3Å; E439-V442 PolarHBondContact O-N 2.95Å; V442-W444 VanDerWaalsContact C-N 3.25Å; V442-W444 PolarHBondContact O-N 3.47Å; V442-L445 HydrophobicContact CB-CD1 4.46Å; V442-L445 HydrophobicContact CG1-CD1 4.25Å; V442-L445 WeakPolarHBondContact O-CB 3.21Å; V442-L445 PolarHBondContact O-N 3.48Å; V442-A446 PolarHBondContact O-N 3.49Å; V442-L480 HydrophobicContact CB-CD1 4.4Å; V442-L480 HydrophobicContact CG1-CD1 3.8Å; V442-A483 HydrophobicContact CG2-CB 4.33Å; V442-L484 HydrophobicContact CB-CD2 4.24Å; V442-I487 HydrophobicContact CB-CD1 4.44Å; V442-I487 HydrophobicContact CG2-CD1 3.32Å
443	S	89.6	Confident	87.7	Confident	42 Å²	42	51.3 Å²	51.3	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-55.2	-39.4	178.7	-79	0	0	0	0	113.2	E439 A446 A447	E439-S443 WeakPolarHBondContact O-CB 3.3Å; E439-S443 PolarHBondContact O-N 3.32Å; E439-S443 PolarHBondContact O-OG 3.29Å; S443-A446 PolarHBondContact O-N 3.48Å; S443-A447 PolarHBondContact O-N 3.08Å
444	W	89.6	Confident	86.8	Confident	21 Å²	21	48.8 Å²	48.8	8%	0.08	26%	0.256	C	S	.	.	H	α-helix	trans	-70.5	-35.4	177.3	75.8	-91.5	0	0	0	112.2	L412 D413 Y414 L416 L420 A441 V442 A447 V448 F494	L412-W444 HydrophobicContact CB-CH2 4.21Å; L412-W444 HydrophobicContact CB-CZ2 3.81Å; L412-W444 WeakPolarHBondContact O-CZ2 3.28Å; D413-W444 WeakPolarHBondContact O-CZ2 3.5Å; Y414-W444 HydrophobicContact CD2-CB 3.61Å; Y414-W444 AromaticContact CD2-CD1 3.98Å; Y414-W444 AromaticContact CD2-CD2 3.96Å; Y414-W444 HydrophobicContact CD2-CD2 3.96Å; Y414-W444 HydrophobicContact CD2-CE3 4.49Å; Y414-W444 AromaticContact CD2-CG 3.56Å; Y414-W444 HydrophobicContact CD2-CG 3.56Å; Y414-W444 HydrophobicContact CE2-CB 3.76Å; Y414-W444 HydrophobicContact CE2-CG 4.21Å; L416-W444 HydrophobicContact CB-CH2 4.03Å; L420-W444 HydrophobicContact CD2-CZ3 4.22Å; A441-W444 PolarHBondContact O-NE1 2.95Å; A441-W444 VanDerWaalsContact O-NE1 3.08Å; V442-W444 VanDerWaalsContact C-N 3.25Å; V442-W444 PolarHBondContact O-N 3.47Å; W444-A447 WeakPolarHBondContact O-CB 3.26Å; W444-A447 PolarHBondContact O-N 3.42Å; W444-V448 HydrophobicContact CE3-CG2 3.99Å; W444-V448 HydrophobicContact CZ3-CG2 4.21Å; W444-V448 WeakPolarHBondContact O-CG2 3.4Å; W444-V448 PolarHBondContact O-N 3.01Å; W444-F494 HydrophobicContact CB-CE2 4.23Å
445	L	91.7	Very high	85.8	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-42.1	173.7	-70.7	171.6	0	0	0	110.8	L412 L420 F435 V442 A447 V448 Q449 L457 L484	L412-L445 HydrophobicContact CB-CD1 4.48Å; L412-L445 HydrophobicContact CB-CD2 4.41Å; L412-L445 HydrophobicContact CD1-CD1 4.48Å; L412-L445 HydrophobicContact CD1-CD2 3.84Å; L420-L445 HydrophobicContact CD2-CD2 4.34Å; F435-L445 HydrophobicContact CE1-CD1 4.29Å; F435-L445 HydrophobicContact CZ-CD1 4.05Å; V442-L445 HydrophobicContact CB-CD1 4.46Å; V442-L445 HydrophobicContact CG1-CD1 4.25Å; V442-L445 WeakPolarHBondContact O-CB 3.21Å; V442-L445 PolarHBondContact O-N 3.48Å; L445-A447 PolarHBondContact O-N 3.36Å; L445-V448 PolarHBondContact O-N 2.93Å; L445-Q449 WeakPolarHBondContact O-CB 3.23Å; L445-Q449 PolarHBondContact O-N 3.5Å; L445-L457 HydrophobicContact CB-CD2 4.17Å; L445-L457 HydrophobicContact CD2-CD2 4.12Å; L445-L484 HydrophobicContact CB-CD2 3.65Å
446	A	90.5	Very high	85.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-38.3	174.2	0	0	0	0	0	110.8	V442 S443 Q449 K450 L484 I487 V489	V442-A446 PolarHBondContact O-N 3.49Å; S443-A446 PolarHBondContact O-N 3.48Å; A446-Q449 PolarHBondContact O-N 3.47Å; A446-K450 WeakPolarHBondContact O-CB 3.28Å; A446-K450 WeakPolarHBondContact O-CG 3.39Å; A446-K450 PolarHBondContact O-N 2.84Å; A446-L484 HydrophobicContact CB-CD2 4.02Å; A446-I487 HydrophobicContact CB-CB 4.02Å; A446-I487 HydrophobicContact CB-CD1 4.43Å; A446-I487 HydrophobicContact CB-CG2 4.05Å; A446-V489 HydrophobicContact CB-CG2 3.91Å
447	A	89.5	Confident	85.5	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.033	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-43.9	176.5	0	0	0	0	0	113.1	S443 W444 L445 Q449 K450 C451 V489 F494	S443-A447 PolarHBondContact O-N 3.08Å; W444-A447 WeakPolarHBondContact O-CB 3.26Å; W444-A447 PolarHBondContact O-N 3.42Å; L445-A447 PolarHBondContact O-N 3.36Å; A447-Q449 VanDerWaalsContact C-N 3.28Å; A447-Q449 PolarHBondContact O-N 3.28Å; A447-K450 PolarHBondContact O-N 2.74Å; A447-C451 WeakPolarHBondContact O-CB 3.34Å; A447-C451 PolarHBondContact O-N 3.09Å; A447-C451 PolarHBondContact O-SG 3.44Å; A447-V489 HydrophobicContact CB-CG1 3.5Å; A447-V489 VanDerWaalsContact CB-CG1 3.5Å; A447-V489 HydrophobicContact CB-CG2 4.28Å; A447-F494 HydrophobicContact CB-CB 4.25Å; A447-F494 HydrophobicContact CB-CD1 4.11Å; A447-F494 HydrophobicContact CB-CD2 3.38Å; A447-F494 HydrophobicContact CB-CE1 4.33Å; A447-F494 HydrophobicContact CB-CE2 3.63Å; A447-F494 HydrophobicContact CB-CG 3.63Å; A447-F494 HydrophobicContact CB-CZ 4.1Å
448	V	87.8	Confident	85.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-42.2	173.3	174.3	0	0	0	0	110.8	L420 W444 L445 F452 Q456 F494	L420-V448 HydrophobicContact CB-CG1 4.3Å; L420-V448 HydrophobicContact CD2-CB 4.5Å; L420-V448 HydrophobicContact CD2-CG1 3.82Å; L420-V448 HydrophobicContact CG-CG1 3.77Å; W444-V448 HydrophobicContact CE3-CG2 3.99Å; W444-V448 HydrophobicContact CZ3-CG2 4.21Å; W444-V448 WeakPolarHBondContact O-CG2 3.4Å; W444-V448 PolarHBondContact O-N 3.01Å; L445-V448 PolarHBondContact O-N 2.93Å; V448-F452 HydrophobicContact CG1-CD2 4.38Å; V448-F452 WeakPolarHBondContact O-CD2 3.4Å; V448-Q456 HydrophobicContact CG1-CB 4.15Å; V448-F494 HydrophobicContact CG2-CE1 3.98Å; V448-F494 HydrophobicContact CG2-CZ 3.84Å
449	Q	87.8	Confident	85.8	Confident	68 Å²	68	44.3 Å²	44.3	32%	0.318	24%	0.244	S	C	.	.	H	α-helix	trans	-67.9	-38.1	-180	-175	66.1	0.2	0	0	113.6	L445 A446 A447 L457	L445-Q449 WeakPolarHBondContact O-CB 3.23Å; L445-Q449 PolarHBondContact O-N 3.5Å; A446-Q449 PolarHBondContact O-N 3.47Å; A447-Q449 VanDerWaalsContact C-N 3.28Å; A447-Q449 PolarHBondContact O-N 3.28Å; Q449-L457 PolarHBondContact NE2-O 3.25Å; Q449-L457 PolarHBondContact OE1-O 3.23Å; Q449-L457 VanDerWaalsContact OE1-O 3.09Å
450	K	88.7	Confident	86.2	Confident	90 Å²	90	45.1 Å²	45.1	39%	0.391	25%	0.248	S	C	.	.	H	α-helix	trans	-91.8	-28.6	-174	-68.6	-179.4	179.7	-176.3	0	113.8	A446 A447 L484 N485 I487 V489	A446-K450 WeakPolarHBondContact O-CB 3.28Å; A446-K450 WeakPolarHBondContact O-CG 3.39Å; A446-K450 PolarHBondContact O-N 2.84Å; A447-K450 PolarHBondContact O-N 2.74Å; K450-L484 VanDerWaalsContact CE-O 3.25Å; K450-L484 WeakPolarHBondContact CE-O 3.4Å; K450-L484 PolarHBondContact NZ-O 3.39Å; K450-N485 PolarHBondContact NZ-O 2.91Å; K450-I487 PolarHBondContact NZ-O 2.87Å; K450-V489 HydrophobicContact CD-CB 4.44Å; K450-V489 HydrophobicContact CD-CG2 4.14Å
451	C	88.3	Confident	86.6	Confident	21 Å²	21	44.5 Å²	44.5	14%	0.142	24%	0.24	C	C	.	.	H	α-helix	trans	-97.7	-14.9	-170.6	-56.3	0	0	0	0	114.5	A447 C491	A447-C451 WeakPolarHBondContact O-CB 3.34Å; A447-C451 PolarHBondContact O-N 3.09Å; A447-C451 PolarHBondContact O-SG 3.44Å; C451-C491 WeakPolarHBondContact CA-SG 3.29Å; C451-C491 HydrophobicContact CB-CB 3.66Å; C451-C491 WeakPolarHBondContact CB-SG 3.03Å; C451-C491 WeakPolarHBondContact SG-CA 3.44Å; C451-C491 WeakPolarHBondContact SG-CB 3.34Å; C451-C491 CovalentContact SG-SG 2.04Å; C451-C491 PolarHBondContact SG-SG 2.92Å
452	F	83.9	Confident	87	Confident	42 Å²	42	43 Å²	43	18%	0.184	23%	0.228	C	C	.	.	S	Bend	trans	-108.2	139.8	178.2	-62.5	-95.1	0	0	0	110.1	S421 V448 S454 F494 L495	S421-F452 WeakPolarHBondContact O-CD1 3.46Å; S421-F452 VanDerWaalsContact OG-CZ 3.25Å; S421-F452 WeakPolarHBondContact OG-CZ 3.37Å; V448-F452 HydrophobicContact CG1-CD2 4.38Å; V448-F452 WeakPolarHBondContact O-CD2 3.4Å; F452-S454 VanDerWaalsContact C-N 3.29Å; F452-S454 PolarHBondContact O-N 2.64Å; F452-F494 AromaticContact CE2-CD1 3.77Å; F452-F494 HydrophobicContact CE2-CD1 3.77Å; F452-F494 AromaticContact CE2-CE1 3.61Å; F452-F494 HydrophobicContact CE2-CE1 3.61Å; F452-F494 HydrophobicContact CZ-CD1 4.2Å; F452-F494 HydrophobicContact CZ-CE1 4.07Å; F452-L495 HydrophobicContact CE1-CD2 4.08Å; F452-L495 HydrophobicContact CZ-CD2 3.96Å
453	Q	68.4	Low	87.1	Confident	209 Å²	209	48 Å²	48	98%	0.977	25%	0.249	S	C	*	.	S	Bend	trans	-71.8	-19.3	-170	-68.3	-162.5	-16.5	0	0	114.7
454	S	67.7	Low	87.2	Confident	54 Å²	54	46.7 Å²	46.7	38%	0.378	24%	0.24	S	C	.	.	S	Bend	trans	-97.4	142.7	179.7	-69	0	0	0	0	110	F452 Q456	F452-S454 VanDerWaalsContact C-N 3.29Å; F452-S454 PolarHBondContact O-N 2.64Å; S454-Q456 WeakPolarHBondContact O-CG 3.23Å; S454-Q456 PolarHBondContact O-N 3.01Å
455	S	69.1	Low	87.1	Confident	81 Å²	81	47.4 Å²	47.4	57%	0.566	25%	0.251	S	S	*	.			trans	-67.6	78.7	171.3	-55.4	0	0	0	0	110.4	L457	S455-L457 VanDerWaalsContact C-N 3.27Å
456	Q	85.1	Confident	86.7	Confident	7 Å²	7	52.3 Å²	52.3	3%	0.033	28%	0.282	C	S	.	.			trans	-70.7	-27.1	179.4	-58.1	-59.9	-86.2	0	0	111.3	L420 R422 S425 K426 V427 V448 S454	L420-Q456 HydrophobicContact CD1-CB 4.07Å; L420-Q456 HydrophobicContact CG-CB 4.07Å; L420-Q456 WeakPolarHBondContact O-CB 3.25Å; L420-Q456 VanDerWaalsContact O-CG 3.22Å; L420-Q456 WeakPolarHBondContact O-CG 3.43Å; L420-Q456 PolarHBondContact O-OE1 3.11Å; L420-Q456 VanDerWaalsContact O-OE1 3.1Å; R422-Q456 PolarHBondContact O-OE1 2.74Å; S425-Q456 PolarHBondContact O-NE2 2.75Å; S425-Q456 PolarHBondContact O-OE1 3.31Å; K426-Q456 CarbonylContact C-O 3.59Å; K426-Q456 VanDerWaalsContact CA-O 3.26Å; K426-Q456 WeakPolarHBondContact CA-O 3.22Å; V427-Q456 PolarHBondContact N-O 3.1Å; V448-Q456 HydrophobicContact CG1-CB 4.15Å; S454-Q456 WeakPolarHBondContact O-CG 3.23Å; S454-Q456 PolarHBondContact O-N 3.01Å
457	L	91.9	Very high	85.7	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123.4	178	-176.2	67.1	0	0	0	110.1	L412 V427 L445 Q449 S455 V459 L484	L412-L457 HydrophobicContact CD1-CD1 4.45Å; V427-L457 HydrophobicContact CB-CD1 4.11Å; V427-L457 HydrophobicContact CG1-CD1 4.16Å; V427-L457 WeakPolarHBondContact O-CA 3.28Å; L445-L457 HydrophobicContact CB-CD2 4.17Å; L445-L457 HydrophobicContact CD2-CD2 4.12Å; Q449-L457 PolarHBondContact NE2-O 3.25Å; Q449-L457 PolarHBondContact OE1-O 3.23Å; Q449-L457 VanDerWaalsContact OE1-O 3.09Å; S455-L457 VanDerWaalsContact C-N 3.27Å; L457-V459 HydrophobicContact CD1-CG2 4.22Å; L457-V459 HydrophobicContact CD2-CG2 4.15Å; L457-V459 HydrophobicContact CG-CG2 3.85Å; L457-L484 HydrophobicContact CD2-CD1 3.7Å
458	V	92.5	Very high	84.7	Confident	32 Å²	32	58.5 Å²	58.5	19%	0.194	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.6	171.6	179.1	0	0	0	0	108	V427 I428 I429 Q460	V427-V458 PolarHBondContact O-N 2.91Å; I428-V458 CarbonylContact C-O 3.6Å; I428-V458 WeakPolarHBondContact CA-O 3.47Å; I428-V458 HydrophobicContact CB-CB 4.42Å; I428-V458 HydrophobicContact CG1-CB 3.98Å; I428-V458 HydrophobicContact CG1-CG2 4.28Å; I428-V458 HydrophobicContact CG2-CB 4.32Å; I428-V458 HydrophobicContact CG2-CG1 4.35Å; I429-V458 PolarHBondContact N-O 3.43Å; V458-Q460 HydrophobicContact CG1-CG 4.36Å
459	V	92.7	Very high	83.6	Confident	21 Å²	21	64.1 Å²	64.1	13%	0.127	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.4	-176.7	-179.7	0	0	0	0	107.3	I429 L457 V462 L480 L484	I429-V459 WeakPolarHBondContact O-CA 3.39Å; L457-V459 HydrophobicContact CD1-CG2 4.22Å; L457-V459 HydrophobicContact CD2-CG2 4.15Å; L457-V459 HydrophobicContact CG-CG2 3.85Å; V459-V462 HydrophobicContact CG1-CB 3.56Å; V459-V462 HydrophobicContact CG1-CG1 4.43Å; V459-V462 HydrophobicContact CG1-CG2 3.52Å; V459-L480 HydrophobicContact CG1-CB 4.03Å; V459-L480 HydrophobicContact CG1-CD2 3.97Å; V459-L480 HydrophobicContact CG1-CG 4.15Å; V459-L480 HydrophobicContact CG2-CD2 3.95Å; V459-L480 HydrophobicContact CG2-CG 4.44Å; V459-L484 HydrophobicContact CG2-CD1 4.16Å
460	Q	93.1	Very high	82.2	Confident	98 Å²	98	69.1 Å²	69.1	46%	0.458	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.8	172.3	-53.8	-176.3	-1.8	0	0	110.3	I429 E430 Q431 V458 V462	I429-Q460 PolarHBondContact O-N 3.35Å; E430-Q460 VanDerWaalsContact CA-O 3.28Å; E430-Q460 WeakPolarHBondContact CA-O 3.38Å; E430-Q460 HydrophobicContact CG-CB 4.08Å; E430-Q460 HydrophobicContact CG-CG 4.41Å; Q431-Q460 PolarHBondContact N-O 2.94Å; Q431-Q460 VanDerWaalsContact N-O 3.1Å; V458-Q460 HydrophobicContact CG1-CG 4.36Å; Q460-V462 VanDerWaalsContact C-N 3.26Å; Q460-V462 PolarHBondContact O-N 2.92Å
461	N	93.3	Very high	80.7	Confident	105 Å²	105	68.4 Å²	68.4	56%	0.561	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.7	43.1	179.1	-57.7	-32.5	0	0	0	113.3	Q431 N432	Q431-N461 PolarHBondContact NE2-ND2 3.4Å; N432-N461 PolarHBondContact N-O 3.3Å
462	V	94.6	Very high	79.1	Confident	2 Å²	2	72.8 Å²	72.8	1%	0.012	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	109.5	173.6	180	0	0	0	0	109	I429 N432 F435 V459 Q460 T479 L480	I429-V462 HydrophobicContact CB-CG2 4.01Å; I429-V462 HydrophobicContact CG2-CG2 3.65Å; I429-V462 WeakPolarHBondContact O-CG2 3.28Å; N432-V462 HydrophobicContact CB-CG1 4.17Å; N432-V462 HydrophobicContact CB-CG2 4.12Å; N432-V462 CarbonylContact O-C 3.58Å; N432-V462 WeakPolarHBondContact O-CA 3.43Å; F435-V462 HydrophobicContact CB-CG1 3.63Å; F435-V462 HydrophobicContact CD2-CG1 4.14Å; F435-V462 HydrophobicContact CG-CG1 3.99Å; V459-V462 HydrophobicContact CG1-CB 3.56Å; V459-V462 HydrophobicContact CG1-CG1 4.43Å; V459-V462 HydrophobicContact CG1-CG2 3.52Å; Q460-V462 VanDerWaalsContact C-N 3.26Å; Q460-V462 PolarHBondContact O-N 2.92Å; V462-T479 VanDerWaalsContact O-CA 3.3Å; V462-T479 WeakPolarHBondContact O-CA 3.37Å; V462-T479 WeakPolarHBondContact O-CB 3.4Å; V462-L480 HydrophobicContact CB-CB 4.07Å; V462-L480 HydrophobicContact CG1-CB 3.72Å; V462-L480 HydrophobicContact CG1-CD2 3.92Å; V462-L480 HydrophobicContact CG1-CG 4.49Å; V462-L480 PolarHBondContact O-N 3.31Å
463	K	93.2	Very high	77.7	Confident	105 Å²	105	78 Å²	78	46%	0.457	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	144.1	178.8	-63.3	174.8	-171.4	163.1	0	110.2	N432 E433 F435	N432-K463 PolarHBondContact O-N 3.39Å; E433-K463 WeakPolarHBondContact O-CB 3.31Å; E433-K463 IonicContact OE1-NZ 3.8Å; E433-K463 PolarHBondContact OE1-NZ 3.03Å; F435-K463 PolarHBondContact N-O 2.02Å
464	C	92.2	Very high	77	Confident	15 Å²	15	75.6 Å²	75.6	10%	0.101	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	143.9	172.6	-62.2	0	0	0	0	110.4	F435 C437 F477 T478 T479 L480	F435-C464 CarbonylContact O-C 3.57Å; F435-C464 VanDerWaalsContact O-CA 3.27Å; F435-C464 WeakPolarHBondContact O-CA 3.27Å; C437-C464 HydrophobicContact CB-CB 3.6Å; C437-C464 WeakPolarHBondContact CB-SG 3.18Å; C437-C464 WeakPolarHBondContact SG-CA 3.38Å; C437-C464 WeakPolarHBondContact SG-CB 3.28Å; C437-C464 CovalentContact SG-SG 2.02Å; C437-C464 PolarHBondContact SG-SG 2.89Å; C464-F477 VanDerWaalsContact CB-O 3.27Å; C464-F477 WeakPolarHBondContact CB-O 3.25Å; C464-T478 PolarHBondContact N-O 2.6Å; C464-T479 PolarHBondContact SG-O 3.04Å; C464-L480 PolarHBondContact SG-N 3.16Å
465	A	88.3	Confident	76.7	Confident	36 Å²	36	74.7 Å²	74.7	30%	0.298	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-57.3	144.9	167.8	0	0	0	0	0	109.7	F435 V467	F435-A465 PolarHBondContact O-N 3.11Å; A465-V467 PolarHBondContact O-N 3.22Å
466	P	81.4	Confident	76.8	Confident	104 Å²	104	74.4 Å²	74.4	68%	0.675	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-61.1	129.1	177	24.2	-31.6	0	0	0	110.2
467	V	71.3	Confident	76.6	Confident	51 Å²	51	75.5 Å²	75.5	31%	0.309	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-70.6	139.9	-178.7	-173.5	0	0	0	0	109.6	A465 E471	A465-V467 PolarHBondContact O-N 3.22Å; V467-E471 HydrophobicContact CG1-CB 3.16Å; V467-E471 HydrophobicContact CG1-CG 4.35Å
468	T	67.1	Low	76.3	Confident	83 Å²	83	80.4 Å²	80.4	51%	0.509	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-76.7	153.6	171.2	59.5	0	0	0	0	110.1	E470 E471	T468-E470 PolarHBondContact O-N 3.24Å; T468-E471 PolarHBondContact N-OE2 3.36Å; T468-E471 PolarHBondContact O-N 3.21Å; T468-E471 PolarHBondContact OG1-OE2 3.18Å
469	V	64.3	Low	76.3	Confident	119 Å²	119	81.2 Å²	81.2	72%	0.721	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-52.5	-28.7	-174.7	-178.7	0	0	0	0	113.2
470	E	58.6	Low	76.3	Confident	172 Å²	172	80.2 Å²	80.2	80%	0.804	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-72	-25.8	179.2	-64.6	-179.3	174.4	0	0	113.8	T468	T468-E470 PolarHBondContact O-N 3.24Å
471	E	57.3	Low	76.3	Confident	75 Å²	75	80.9 Å²	80.9	35%	0.35	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-91.6	-7.6	-176.6	-76.6	173.3	144.5	0	0	113.3	N438 V467 T468 L473 F474	N438-E471 PolarHBondContact ND2-OE1 3.14Å; V467-E471 HydrophobicContact CG1-CB 3.16Å; V467-E471 HydrophobicContact CG1-CG 4.35Å; T468-E471 PolarHBondContact N-OE2 3.36Å; T468-E471 PolarHBondContact O-N 3.21Å; T468-E471 PolarHBondContact OG1-OE2 3.18Å; E471-L473 PolarHBondContact O-N 3.24Å; E471-F474 PolarHBondContact O-N 3.24Å; E471-F474 VanDerWaalsContact O-N 3.16Å
472	E	56.4	Low	76.2	Confident	113 Å²	113	77.2 Å²	77.2	53%	0.528	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-56.7	-21.8	179.3	-69.9	-170.1	154.9	0	0	113.4	F474 G475	E472-F474 VanDerWaalsContact C-N 3.3Å; E472-F474 PolarHBondContact O-N 2.94Å; E472-G475 PolarHBondContact O-N 3.12Å
473	L	53.7	Low	76	Confident	153 Å²	153	77.1 Å²	77.1	80%	0.801	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-64.5	-25.2	178.8	-86.2	117.6	0	0	0	114.5	E471	E471-L473 PolarHBondContact O-N 3.24Å
474	F	53.2	Low	75.9	Confident	158 Å²	158	72.5 Å²	72.5	69%	0.693	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-100.5	9.5	-176.2	-73.1	-83.3	0	0	0	114.3	E471 E472	E471-F474 PolarHBondContact O-N 3.24Å; E471-F474 VanDerWaalsContact O-N 3.16Å; E472-F474 VanDerWaalsContact C-N 3.3Å; E472-F474 PolarHBondContact O-N 2.94Å
475	G	60.7	Low	75.8	Confident	34 Å²	34	76.8 Å²	76.8	35%	0.351	42%	0.421	S	S	.	.			trans	89.8	113.4	175	0	0	0	0	0	112.2	E472 F477	E472-G475 PolarHBondContact O-N 3.12Å; G475-F477 PolarHBondContact O-N 3.12Å; G475-F477 VanDerWaalsContact O-N 3.11Å
476	N	71.3	Confident	75.8	Confident	76 Å²	76	83 Å²	83	41%	0.406	44%	0.438	S	S	.	.			trans	-66.4	111.9	177.8	-71.3	-7.1	0	0	0	110.7
477	F	81	Confident	76.1	Confident	29 Å²	29	78.4 Å²	78.4	13%	0.127	41%	0.407	C	S	.	.			trans	-83.6	133.7	167.2	-61.2	-66.6	0	0	0	109.8	C437 C464 G475 A483 R486	C437-F477 HydrophobicContact CB-CB 4.2Å; C464-F477 VanDerWaalsContact CB-O 3.27Å; C464-F477 WeakPolarHBondContact CB-O 3.25Å; G475-F477 PolarHBondContact O-N 3.12Å; G475-F477 VanDerWaalsContact O-N 3.11Å; F477-A483 HydrophobicContact CB-CB 3.9Å; F477-A483 HydrophobicContact CD1-CB 3.8Å; F477-A483 HydrophobicContact CD2-CB 3.69Å; F477-A483 VanDerWaalsContact CE1-CA 3.47Å; F477-A483 HydrophobicContact CE1-CB 4.21Å; F477-A483 HydrophobicContact CE2-CB 4.13Å; F477-A483 HydrophobicContact CG-CB 3.51Å; F477-A483 HydrophobicContact CZ-CB 4.37Å; F477-R486 HydrophobicContact CE1-CB 3.74Å; F477-R486 HydrophobicContact CE1-CG 3.9Å; F477-R486 HydrophobicContact CZ-CB 4.12Å
478	T	87	Confident	76.9	Confident	107 Å²	107	83.4 Å²	83.4	66%	0.656	43%	0.432	S	S	*	.	S	Bend	trans	-93.9	-30.3	176.4	52.4	0	0	0	0	111.9	C464	C464-T478 PolarHBondContact N-O 2.6Å
479	T	92	Very high	77.8	Confident	50 Å²	50	80.9 Å²	80.9	31%	0.307	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-132.1	149.2	177.8	67.7	0	0	0	0	111.1	V462 C464 E481 S482 A483	V462-T479 VanDerWaalsContact O-CA 3.3Å; V462-T479 WeakPolarHBondContact O-CA 3.37Å; V462-T479 WeakPolarHBondContact O-CB 3.4Å; C464-T479 PolarHBondContact SG-O 3.04Å; T479-E481 PolarHBondContact O-N 2.9Å; T479-S482 PolarHBondContact N-OG 2.91Å; T479-S482 WeakPolarHBondContact O-CB 3.49Å; T479-S482 PolarHBondContact O-N 3.42Å; T479-S482 PolarHBondContact O-OG 3.23Å; T479-S482 WeakPolarHBondContact OG1-CB 3.11Å; T479-S482 PolarHBondContact OG1-N 3.3Å; T479-A483 PolarHBondContact O-N 3.02Å; T479-A483 VanDerWaalsContact O-N 3.14Å
480	L	92.9	Very high	78.9	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-59.2	-37.3	177.3	175.7	61	0	0	0	111.2	F435 V442 V459 V462 C464 S482 A483 L484	F435-L480 HydrophobicContact CD1-CD1 3.8Å; F435-L480 HydrophobicContact CD1-CD2 3.84Å; F435-L480 HydrophobicContact CD1-CG 4.27Å; F435-L480 HydrophobicContact CD2-CD2 4.24Å; F435-L480 HydrophobicContact CE1-CD1 3.72Å; F435-L480 HydrophobicContact CE1-CD2 3.75Å; F435-L480 HydrophobicContact CE1-CG 4.35Å; F435-L480 HydrophobicContact CE2-CD2 4.14Å; F435-L480 HydrophobicContact CG-CD2 4.09Å; F435-L480 HydrophobicContact CZ-CD2 3.9Å; V442-L480 HydrophobicContact CB-CD1 4.4Å; V442-L480 HydrophobicContact CG1-CD1 3.8Å; V459-L480 HydrophobicContact CG1-CB 4.03Å; V459-L480 HydrophobicContact CG1-CD2 3.97Å; V459-L480 HydrophobicContact CG1-CG 4.15Å; V459-L480 HydrophobicContact CG2-CD2 3.95Å; V459-L480 HydrophobicContact CG2-CG 4.44Å; V462-L480 HydrophobicContact CB-CB 4.07Å; V462-L480 HydrophobicContact CG1-CB 3.72Å; V462-L480 HydrophobicContact CG1-CD2 3.92Å; V462-L480 HydrophobicContact CG1-CG 4.49Å; V462-L480 PolarHBondContact O-N 3.31Å; C464-L480 PolarHBondContact SG-N 3.16Å; L480-S482 VanDerWaalsContact C-N 3.3Å; L480-S482 PolarHBondContact O-N 2.63Å; L480-A483 WeakPolarHBondContact O-CB 3.35Å; L480-A483 PolarHBondContact O-N 2.99Å; L480-A483 VanDerWaalsContact O-N 3.12Å; L480-L484 HydrophobicContact CD1-CD1 4.17Å; L480-L484 HydrophobicContact CD1-CD2 4.24Å; L480-L484 HydrophobicContact CD1-CG 3.94Å; L480-L484 HydrophobicContact CG-CD1 3.92Å; L480-L484 HydrophobicContact CG-CG 4.18Å; L480-L484 VanDerWaalsContact O-CG 3.28Å; L480-L484 WeakPolarHBondContact O-CG 3.48Å; L480-L484 PolarHBondContact O-N 2.95Å
481	E	91.8	Very high	80.1	Confident	112 Å²	112	72.6 Å²	72.6	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-58.5	-41	174.9	-172.7	178.4	-170.7	0	0	112.2	T479 N485	T479-E481 PolarHBondContact O-N 2.9Å; E481-N485 WeakPolarHBondContact O-CB 3.34Å; E481-N485 VanDerWaalsContact O-CG 3.27Å; E481-N485 PolarHBondContact O-N 3.42Å; E481-N485 VanDerWaalsContact O-N 3.14Å; E481-N485 PolarHBondContact O-ND2 3.46Å; E481-N485 VanDerWaalsContact O-ND2 3.12Å
482	S	91.1	Very high	81.2	Confident	27 Å²	27	78.9 Å²	78.9	19%	0.189	40%	0.397	C	S	.	.	H	α-helix	trans	-65.7	-38.3	175.5	76.8	0	0	0	0	112.4	T479 L480 R486	T479-S482 PolarHBondContact N-OG 2.91Å; T479-S482 WeakPolarHBondContact O-CB 3.49Å; T479-S482 PolarHBondContact O-N 3.42Å; T479-S482 PolarHBondContact O-OG 3.23Å; T479-S482 WeakPolarHBondContact OG1-CB 3.11Å; T479-S482 PolarHBondContact OG1-N 3.3Å; L480-S482 VanDerWaalsContact C-N 3.3Å; L480-S482 PolarHBondContact O-N 2.63Å; S482-R486 WeakPolarHBondContact O-CG 3.16Å; S482-R486 PolarHBondContact O-N 3.22Å
483	A	90.4	Very high	82.1	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-62.8	-54.2	176.8	0	0	0	0	0	111.7	C437 V442 F477 T479 L480 N485 R486 I487	C437-A483 HydrophobicContact CB-CB 4.09Å; V442-A483 HydrophobicContact CG2-CB 4.33Å; F477-A483 HydrophobicContact CB-CB 3.9Å; F477-A483 HydrophobicContact CD1-CB 3.8Å; F477-A483 HydrophobicContact CD2-CB 3.69Å; F477-A483 VanDerWaalsContact CE1-CA 3.47Å; F477-A483 HydrophobicContact CE1-CB 4.21Å; F477-A483 HydrophobicContact CE2-CB 4.13Å; F477-A483 HydrophobicContact CG-CB 3.51Å; F477-A483 HydrophobicContact CZ-CB 4.37Å; T479-A483 PolarHBondContact O-N 3.02Å; T479-A483 VanDerWaalsContact O-N 3.14Å; L480-A483 WeakPolarHBondContact O-CB 3.35Å; L480-A483 PolarHBondContact O-N 2.99Å; L480-A483 VanDerWaalsContact O-N 3.12Å; A483-N485 VanDerWaalsContact C-N 3.25Å; A483-N485 PolarHBondContact O-N 3.4Å; A483-R486 PolarHBondContact O-N 2.88Å; A483-I487 WeakPolarHBondContact O-CG1 3.34Å; A483-I487 PolarHBondContact O-N 3.36Å
484	L	91.7	Very high	82.9	Confident	9 Å²	9	74 Å²	74	5%	0.047	37%	0.37	C	S	.	.	H	α-helix	trans	-59.2	-36.6	-179.2	-63.8	173.6	0	0	0	112.4	V442 L445 A446 K450 L457 V459 L480	V442-L484 HydrophobicContact CB-CD2 4.24Å; L445-L484 HydrophobicContact CB-CD2 3.65Å; A446-L484 HydrophobicContact CB-CD2 4.02Å; K450-L484 VanDerWaalsContact CE-O 3.25Å; K450-L484 WeakPolarHBondContact CE-O 3.4Å; K450-L484 PolarHBondContact NZ-O 3.39Å; L457-L484 HydrophobicContact CD2-CD1 3.7Å; V459-L484 HydrophobicContact CG2-CD1 4.16Å; L480-L484 HydrophobicContact CD1-CD1 4.17Å; L480-L484 HydrophobicContact CD1-CD2 4.24Å; L480-L484 HydrophobicContact CD1-CG 3.94Å; L480-L484 HydrophobicContact CG-CD1 3.92Å; L480-L484 HydrophobicContact CG-CG 4.18Å; L480-L484 VanDerWaalsContact O-CG 3.28Å; L480-L484 WeakPolarHBondContact O-CG 3.48Å; L480-L484 PolarHBondContact O-N 2.95Å
485	N	89.6	Confident	83.5	Confident	104 Å²	104	69.4 Å²	69.4	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-70.1	-38.9	179.5	-76.9	-28.3	0	0	0	112.8	K450 E481 A483	K450-N485 PolarHBondContact NZ-O 2.91Å; E481-N485 WeakPolarHBondContact O-CB 3.34Å; E481-N485 VanDerWaalsContact O-CG 3.27Å; E481-N485 PolarHBondContact O-N 3.42Å; E481-N485 VanDerWaalsContact O-N 3.14Å; E481-N485 PolarHBondContact O-ND2 3.46Å; E481-N485 VanDerWaalsContact O-ND2 3.12Å; A483-N485 VanDerWaalsContact C-N 3.25Å; A483-N485 PolarHBondContact O-N 3.4Å
486	R	89.4	Confident	83.4	Confident	168 Å²	168	72 Å²	72	63%	0.634	36%	0.361	S	S	*	.	H	α-helix	trans	-78.1	-32.3	-177.3	-67.6	-157.8	-168.3	145.6	-7.9	114.3	F477 S482 A483 N488	F477-R486 HydrophobicContact CE1-CB 3.74Å; F477-R486 HydrophobicContact CE1-CG 3.9Å; F477-R486 HydrophobicContact CZ-CB 4.12Å; S482-R486 WeakPolarHBondContact O-CG 3.16Å; S482-R486 PolarHBondContact O-N 3.22Å; A483-R486 PolarHBondContact O-N 2.88Å; R486-N488 PolarHBondContact O-N 3.33Å
487	I	87.9	Confident	82.4	Confident	6 Å²	6	71.2 Å²	71.2	3%	0.031	36%	0.361	C	S	.	.	S	Bend	trans	-62	125.6	-177.3	-67.3	168.3	0	0	0	110.2	E439 V442 A446 K450 A483 V489	E439-I487 HydrophobicContact CG-CD1 4.31Å; E439-I487 HydrophobicContact CG-CG1 4.27Å; V442-I487 HydrophobicContact CB-CD1 4.44Å; V442-I487 HydrophobicContact CG2-CD1 3.32Å; A446-I487 HydrophobicContact CB-CB 4.02Å; A446-I487 HydrophobicContact CB-CD1 4.43Å; A446-I487 HydrophobicContact CB-CG2 4.05Å; K450-I487 PolarHBondContact NZ-O 2.87Å; A483-I487 WeakPolarHBondContact O-CG1 3.34Å; A483-I487 PolarHBondContact O-N 3.36Å; I487-V489 HydrophobicContact CG2-CG2 4.26Å
488	N	87.1	Confident	80.8	Confident	156 Å²	156	70.8 Å²	70.8	83%	0.834	36%	0.361	S	S	*	.			trans	-82.8	129.1	177.8	-166.6	17.7	0	0	0	109.9	R486	R486-N488 PolarHBondContact O-N 3.33Å
489	V	86.7	Confident	78.5	Confident	30 Å²	30	69 Å²	69	18%	0.182	35%	0.35	C	S	.	.			trans	-122.7	127	-175.6	-179.3	0	0	0	0	110.1	A446 A447 K450 I487	A446-V489 HydrophobicContact CB-CG2 3.91Å; A447-V489 HydrophobicContact CB-CG1 3.5Å; A447-V489 VanDerWaalsContact CB-CG1 3.5Å; A447-V489 HydrophobicContact CB-CG2 4.28Å; K450-V489 HydrophobicContact CD-CB 4.44Å; K450-V489 HydrophobicContact CD-CG2 4.14Å; I487-V489 HydrophobicContact CG2-CG2 4.26Å
490	D	86.5	Confident	75.7	Confident	78 Å²	78	70.3 Å²	70.3	42%	0.417	37%	0.366	S	S	.	.			trans	-89.1	100.7	164.3	-176	0.1	0	0	0	110.9	R492 Q493 F494	D490-R492 PolarHBondContact O-N 3.25Å; D490-R492 VanDerWaalsContact O-N 3.14Å; D490-R492 WeakPolarHBondContact OD1-CB 3.39Å; D490-R492 PolarHBondContact OD1-N 3.27Å; D490-Q493 HydrophobicContact CB-CG 4.3Å; D490-Q493 PolarHBondContact O-N 3.32Å; D490-Q493 VanDerWaalsContact O-N 3.17Å; D490-F494 PolarHBondContact O-N 3.38Å
491	C	84.8	Confident	72.9	Confident	39 Å²	39	77 Å²	77	26%	0.264	39%	0.391	S	S	.	.	H	α-helix	trans	-62.4	-19.8	179.4	-64	0	0	0	0	114.2	C451 Q493 F494 L495	C451-C491 WeakPolarHBondContact CA-SG 3.29Å; C451-C491 HydrophobicContact CB-CB 3.66Å; C451-C491 WeakPolarHBondContact CB-SG 3.03Å; C451-C491 WeakPolarHBondContact SG-CA 3.44Å; C451-C491 WeakPolarHBondContact SG-CB 3.34Å; C451-C491 CovalentContact SG-SG 2.04Å; C451-C491 PolarHBondContact SG-SG 2.92Å; C491-Q493 VanDerWaalsContact C-N 3.35Å; C491-F494 PolarHBondContact O-N 2.56Å; C491-L495 WeakPolarHBondContact O-CB 3.33Å; C491-L495 VanDerWaalsContact O-CG 3.27Å; C491-L495 WeakPolarHBondContact O-CG 3.27Å; C491-L495 PolarHBondContact O-N 3.32Å
492	R	80.6	Confident	70.3	Confident	207 Å²	207	75.9 Å²	75.9	78%	0.781	39%	0.392	S	S	*	.	H	α-helix	trans	-68.7	-36.4	176.6	-63.6	-178.4	175.5	-176.7	-0.1	111.6	D490 T496	D490-R492 PolarHBondContact O-N 3.25Å; D490-R492 VanDerWaalsContact O-N 3.14Å; D490-R492 WeakPolarHBondContact OD1-CB 3.39Å; D490-R492 PolarHBondContact OD1-N 3.27Å; R492-T496 VanDerWaalsContact O-CG2 3.25Å; R492-T496 WeakPolarHBondContact O-CG2 3.25Å; R492-T496 PolarHBondContact O-N 3.3Å; R492-T496 PolarHBondContact O-OG1 3.48Å
493	Q	75.5	Confident	67.2	Low	141 Å²	141	80.1 Å²	80.1	66%	0.659	42%	0.417	S	S	*	.	H	α-helix	trans	-72.9	-38.2	177	-64.5	-177.9	7.6	0	0	111.6	D490 C491 T496	D490-Q493 HydrophobicContact CB-CG 4.3Å; D490-Q493 PolarHBondContact O-N 3.32Å; D490-Q493 VanDerWaalsContact O-N 3.17Å; C491-Q493 VanDerWaalsContact C-N 3.35Å; Q493-T496 PolarHBondContact O-OG1 2.95Å
494	F	69.9	Low	64.4	Low	24 Å²	24	86.3 Å²	86.3	11%	0.105	46%	0.455	C	S	.	.	H	α-helix	trans	-75.7	-37.5	-177.5	-161.5	-92.5	0	0	0	113.3	W444 A447 V448 F452 D490 C491 S497 T498	W444-F494 HydrophobicContact CB-CE2 4.23Å; A447-F494 HydrophobicContact CB-CB 4.25Å; A447-F494 HydrophobicContact CB-CD1 4.11Å; A447-F494 HydrophobicContact CB-CD2 3.38Å; A447-F494 HydrophobicContact CB-CE1 4.33Å; A447-F494 HydrophobicContact CB-CE2 3.63Å; A447-F494 HydrophobicContact CB-CG 3.63Å; A447-F494 HydrophobicContact CB-CZ 4.1Å; V448-F494 HydrophobicContact CG2-CE1 3.98Å; V448-F494 HydrophobicContact CG2-CZ 3.84Å; F452-F494 AromaticContact CE2-CD1 3.77Å; F452-F494 HydrophobicContact CE2-CD1 3.77Å; F452-F494 AromaticContact CE2-CE1 3.61Å; F452-F494 HydrophobicContact CE2-CE1 3.61Å; F452-F494 HydrophobicContact CZ-CD1 4.2Å; F452-F494 HydrophobicContact CZ-CE1 4.07Å; D490-F494 PolarHBondContact O-N 3.38Å; C491-F494 PolarHBondContact O-N 2.56Å; F494-S497 PolarHBondContact O-OG 3.34Å; F494-T498 PolarHBondContact O-OG1 2.69Å
495	L	66.4	Low	61.3	Low	60 Å²	60	94.6 Å²	94.6	31%	0.314	49%	0.49	S	S	.	.	H	α-helix	trans	-72.4	-29.6	177.4	-69.3	171.4	0	0	0	111.8	F452 C491 T498 T499	F452-L495 HydrophobicContact CE1-CD2 4.08Å; F452-L495 HydrophobicContact CZ-CD2 3.96Å; C491-L495 WeakPolarHBondContact O-CB 3.33Å; C491-L495 VanDerWaalsContact O-CG 3.27Å; C491-L495 WeakPolarHBondContact O-CG 3.27Å; C491-L495 PolarHBondContact O-N 3.32Å; L495-T498 PolarHBondContact O-N 3.29Å; L495-T498 PolarHBondContact O-OG1 2.93Å; L495-T499 WeakPolarHBondContact O-CB 3.35Å; L495-T499 PolarHBondContact O-N 2.79Å; L495-T499 PolarHBondContact O-OG1 3.17Å
496	T	57.2	Low	58.6	Low	90 Å²	90	95.4 Å²	95.4	55%	0.552	50%	0.501	S	S	*	.	H	α-helix	trans	-70.3	-29.9	179.5	43.3	0	0	0	0	112.9	R492 Q493 A500	R492-T496 VanDerWaalsContact O-CG2 3.25Å; R492-T496 WeakPolarHBondContact O-CG2 3.25Å; R492-T496 PolarHBondContact O-N 3.3Å; R492-T496 PolarHBondContact O-OG1 3.48Å; Q493-T496 PolarHBondContact O-OG1 2.95Å; T496-A500 WeakPolarHBondContact O-CB 2.98Å; T496-A500 PolarHBondContact O-N 2.99Å
497	S	51.5	Low	55.9	Low	58 Å²	58	93.2 Å²	93.2	41%	0.406	51%	0.507	S	S	.	.	H	α-helix	trans	-73.2	-30.8	173.5	55.3	0	0	0	0	113.7	F494	F494-S497 PolarHBondContact O-OG 3.34Å
498	T	47.8	Very low	53.3	Low	20 Å²	20	98 Å²	98	12%	0.123	54%	0.541	C	S	.	.	H	α-helix	trans	-90.5	-39	179.7	34.1	0	0	0	0	112.7	F494 L495 R501	F494-T498 PolarHBondContact O-OG1 2.69Å; L495-T498 PolarHBondContact O-N 3.29Å; L495-T498 PolarHBondContact O-OG1 2.93Å; T498-R501 PolarHBondContact O-N 2.92Å
499	T	38.4	Very low	50.8	Low	70 Å²	70	99.4 Å²	99.4	43%	0.429	54%	0.54	S	S	.	.	H	α-helix	trans	-80.9	-18.9	179.4	54	0	0	0	0	114.9	L495 R501 T502	L495-T499 WeakPolarHBondContact O-CB 3.35Å; L495-T499 PolarHBondContact O-N 2.79Å; L495-T499 PolarHBondContact O-OG1 3.17Å; T499-R501 PolarHBondContact O-N 3.5Å; T499-R501 VanDerWaalsContact O-N 3.17Å; T499-T502 WeakPolarHBondContact CA-OG1 3.33Å; T499-T502 PolarHBondContact O-N 3.17Å; T499-T502 PolarHBondContact O-OG1 2.96Å
500	A	32.4	Very low	48.3	Very low	77 Å²	77	103.2 Å²	103.2	64%	0.636	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-15.5	169.9	0	0	0	0	0	112.9	T496	T496-A500 WeakPolarHBondContact O-CB 2.98Å; T496-A500 PolarHBondContact O-N 2.99Å
501	R	34.5	Very low	46	Very low	140 Å²	140	108.2 Å²	108.2	53%	0.528	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	-23.3	174	-70.9	-178.1	178.7	168.5	1.7	114.1	D418 T498 T499 T503	D418-R501 IonicContact OD2-NH1 3.67Å; T498-R501 PolarHBondContact O-N 2.92Å; T499-R501 PolarHBondContact O-N 3.5Å; T499-R501 VanDerWaalsContact O-N 3.17Å; R501-T503 VanDerWaalsContact C-N 3.35Å; R501-T503 PolarHBondContact O-N 3.43Å
502	T	36	Very low	43.6	Very low	90 Å²	90	116 Å²	116	55%	0.552	62%	0.615	S	S	*	*	S	Bend	trans	-87.5	10.4	-175.6	53.4	0	0	0	0	115.5	T499	T499-T502 WeakPolarHBondContact CA-OG1 3.33Å; T499-T502 PolarHBondContact O-N 3.17Å; T499-T502 PolarHBondContact O-OG1 2.96Å
503	T	28	Very low	41.6	Very low	115 Å²	115	113.3 Å²	113.3	71%	0.706	61%	0.614	S	S	*	*			trans	-116.1	44.3	177.6	53.7	0	0	0	0	114.4	R501 K505	R501-T503 VanDerWaalsContact C-N 3.35Å; R501-T503 PolarHBondContact O-N 3.43Å; T503-K505 PolarHBondContact O-N 3.01Å
504	V	29.6	Very low	39.8	Very low	131 Å²	131	109.6 Å²	109.6	79%	0.794	61%	0.614	S	S	*	*			trans	-89.2	87.1	152.3	-173	0	0	0	0	107.9
505	K	27.8	Very low	38.2	Very low	183 Å²	183	120 Å²	120	80%	0.796	67%	0.671	S	S	*	*			trans	-52.8	130.9	162.7	-93.4	179.7	175.5	175.5	0	107.8	T503 T507	T503-K505 PolarHBondContact O-N 3.01Å; K505-T507 PolarHBondContact O-N 3.14Å
506	P	33.2	Very low	36.8	Very low	121 Å²	121	123.1 Å²	123.1	79%	0.786	69%	0.689	S	S	*	*			trans	-61.3	110.7	175.2	21	-26.2	0	0	0	107.9	S508	P506-S508 VanDerWaalsContact C-N 3.32Å; P506-S508 PolarHBondContact O-N 2.04Å
507	T	31.3	Very low	35.8	Very low	121 Å²	121	124.8 Å²	124.8	74%	0.742	70%	0.696	S	S	*	*			trans	-63.6	101.3	167.9	47.2	0	0	0	0	106.9	K505 K509	K505-T507 PolarHBondContact O-N 3.14Å; T507-K509 PolarHBondContact O-N 2.85Å
508	S	33.3	Very low	34.9	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	71%	0.712	S	S	*	*			trans	-60.4	85.1	161.8	59.3	0	0	0	0	108.1	P506 S510	P506-S508 VanDerWaalsContact C-N 3.32Å; P506-S508 PolarHBondContact O-N 2.04Å; S508-S510 PolarHBondContact O-N 3.38Å
509	K	35.8	Very low	34.1	Very low	185 Å²	185	134.9 Å²	134.9	80%	0.804	75%	0.747	S	S	*	*			trans	-76.2	87.1	161.3	-85.8	-175.9	178.2	175.6	0	107.1	T507 K511	T507-K509 PolarHBondContact O-N 2.85Å; K509-K511 PolarHBondContact O-N 3.27Å
510	S	34.3	Very low	33.9	Very low	109 Å²	109	138.9 Å²	138.9	76%	0.762	77%	0.766	S	S	*	*			trans	-58.2	89.3	156.9	45.3	0	0	0	0	108.9	S508 K512	S508-S510 PolarHBondContact O-N 3.38Å; S510-K512 VanDerWaalsContact C-N 3.28Å; S510-K512 PolarHBondContact O-N 3.27Å
511	K	37.4	Very low	34	Very low	183 Å²	183	143.1 Å²	143.1	80%	0.796	78%	0.775	S	S	*	*			trans	-74.6	89.8	160.4	-96.2	-174.9	174	-178.6	0	107.8	K509 I513	K509-K511 PolarHBondContact O-N 3.27Å; K511-I513 PolarHBondContact O-N 2.95Å
512	K	33.8	Very low	33.9	Very low	204 Å²	204	143.3 Å²	143.3	89%	0.887	79%	0.793	S	S	*	*			trans	-60	113.2	148	-87.1	179.9	171.6	179.3	0	106.8	S510	S510-K512 VanDerWaalsContact C-N 3.28Å; S510-K512 PolarHBondContact O-N 3.27Å
513	I	39.6	Very low	33.8	Very low	149 Å²	149	147.4 Å²	147.4	76%	0.764	81%	0.811	S	S	*	*			trans	-108.9	104	154.6	-60.3	178	0	0	0	103.9	K511	K511-I513 PolarHBondContact O-N 2.95Å
514	G	38.7	Very low	34.3	Very low	63 Å²	63	150.1 Å²	150.1	65%	0.649	82%	0.82	S	S	*	*			trans	-80.1	149.7	168.2	0	0	0	0	0	109.8
515	N	36.3	Very low	34.7	Very low	244 Å²	244	151.8 Å²	151.8	100%	1.305	82%	0.822	S	S	*	*			trans	21.6	0	165.3	-70.9	-0.9	0	0	0	118.9

Retrieved 515 of 515 residues in 1101.8 ms (Link to these results)

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