A0A2J8VD74_PONAB Loading...

Leucine-rich repeat transmembrane protein FLRT3

AlphaFold DB , UniProt , Accession A0A2J8VD74, Species PONAB (Pongo abelii, Sumatran orangutan), Gene FLRT3, Length 649 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	31.6	Very low	35.9	Very low	226 Å²	226	157.8 Å²	157.8	100%	1.113	84%	0.838	S	S	*	*				0	124.8	0	-83.5	165.5	70.8	0	0	108.4
2	I	32.6	Very low	35.9	Very low	161 Å²	161	150.3 Å²	150.3	83%	0.826	83%	0.826	S	S	*	*			trans	73.4	124.7	153.7	-53	163.8	0	0	0	118.1
3	S	29.2	Very low	36.3	Very low	101 Å²	101	149.4 Å²	149.4	71%	0.706	83%	0.828	S	S	*	*			trans	-77	-159.1	177.4	-166.1	0	0	0	0	111.9
4	P	57.3	Low	36.6	Very low	115 Å²	115	153.5 Å²	153.5	75%	0.747	83%	0.833	S	S	*	*				-119	171.6	-93.8	39.7	-24.2	0	0	0	111.6
5	A	33.2	Very low	37	Very low	83 Å²	83	155.4 Å²	155.4	69%	0.686	84%	0.84	S	S	*	*			trans	171.1	128.3	140.6	0	0	0	0	0	112.4
6	W	32.7	Very low	37.4	Very low	244 Å²	244	150 Å²	150	92%	0.924	83%	0.832	S	S	*	*			trans	58.8	92.5	137.5	-67.8	48.4	0	0	0	117.5
7	S	31.8	Very low	37.8	Very low	116 Å²	116	150.1 Å²	150.1	81%	0.811	83%	0.829	S	S	*	*			trans	-175.8	126.6	131.5	-82.1	0	0	0	0	108.3
8	I	36.2	Very low	38.1	Very low	162 Å²	162	151.5 Å²	151.5	83%	0.831	83%	0.826	S	S	*	*			trans	172.3	90.6	134.8	-79.3	149	0	0	0	105.8
9	F	36.5	Very low	38.1	Very low	199 Å²	199	151.8 Å²	151.8	87%	0.873	83%	0.826	S	S	*	*			trans	-64.2	150.6	149.8	-115.8	-101.7	0	0	0	108.2
10	L	37.8	Very low	38.1	Very low	147 Å²	147	153.4 Å²	153.4	77%	0.77	83%	0.827	S	S	*	*			trans	81.9	93	173.7	-60.1	146	0	0	0	115.5
11	I	35.5	Very low	38.5	Very low	182 Å²	182	151.6 Å²	151.6	93%	0.933	82%	0.821	S	S	*	*				-165.1	104.2	114.5	-79.9	136.6	0	0	0	105.4
12	G	36.3	Very low	38.7	Very low	67 Å²	67	144.2 Å²	144.2	69%	0.691	80%	0.796	S	S	*	*			trans	-158.1	80	179.6	0	0	0	0	0	108.7
13	T	41.8	Very low	39.1	Very low	139 Å²	139	141.8 Å²	141.8	85%	0.853	79%	0.791	S	S	*	*			trans	176.7	99.4	157.1	25	0	0	0	0	108.2
14	K	39.8	Very low	39.4	Very low	207 Å²	207	144.6 Å²	144.6	90%	0.9	80%	0.798	S	S	*	*			trans	168.7	61.1	146.8	-95.7	-176.8	-178.8	-172.2	0	110.7
15	I	43	Very low	38.5	Very low	182 Å²	182	143.4 Å²	143.4	93%	0.933	79%	0.792	S	S	*	*			trans	-141.3	100.7	152.8	-56.7	178.6	0	0	0	105.4
16	G	43.6	Very low	39	Very low	69 Å²	69	145.4 Å²	145.4	71%	0.711	80%	0.795	S	S	*	*			trans	168.7	55.2	-174.5	0	0	0	0	0	110.8
17	L	43.4	Very low	39.4	Very low	151 Å²	151	141.6 Å²	141.6	79%	0.791	79%	0.79	S	S	*	*			trans	-155.9	130.2	164.1	-137.5	75.7	0	0	0	109.6
18	F	43.2	Very low	40.2	Very low	176 Å²	176	140.4 Å²	140.4	77%	0.772	79%	0.787	S	S	*	*	S	Bend	trans	79.4	63	172.8	-65.4	-77.6	0	0	0	118.8
19	L	39.2	Very low	41.4	Very low	157 Å²	157	138.7 Å²	138.7	82%	0.822	77%	0.773	S	S	*	*			trans	-140.2	66.4	134.6	-104.9	141.5	0	0	0	108	V21	L19-V21 HydrophobicContact CD2-CG2 3.86Å; L19-V21 PolarHBondContact O-N 3.44Å
20	Q	38	Very low	43.4	Very low	183 Å²	183	132.6 Å²	132.6	86%	0.855	76%	0.755	S	S	*	*			trans	-69.8	88.2	151	-93.9	178.5	-27.9	0	0	105.8	A22	Q20-A22 PolarHBondContact O-N 3.43Å
21	V	45.4	Very low	46	Very low	116 Å²	116	127.5 Å²	127.5	70%	0.703	73%	0.732	S	S	*	*			trans	-62.2	93.4	148.3	-180	0	0	0	0	103.6	L19 P23	L19-V21 HydrophobicContact CD2-CG2 3.86Å; L19-V21 PolarHBondContact O-N 3.44Å; V21-P23 WeakPolarHBondContact O-CD 3.49Å
22	A	36.7	Very low	48.8	Very low	71 Å²	71	119.3 Å²	119.3	59%	0.587	69%	0.691	S	S	*	*			trans	-49.8	125.5	157.8	0	0	0	0	0	104.6	Q20 L24	Q20-A22 PolarHBondContact O-N 3.43Å; A22-L24 VanDerWaalsContact C-N 3.28Å; A22-L24 PolarHBondContact O-N 3.06Å
23	P	39.7	Very low	51.5	Low	111 Å²	111	122.2 Å²	122.2	72%	0.721	70%	0.7	S	S	*	*			trans	-56.4	114.9	156.9	26.2	-27.1	0	0	0	102.9	V21 S25	V21-P23 WeakPolarHBondContact O-CD 3.49Å; P23-S25 PolarHBondContact O-N 3.38Å
24	L	35.8	Very low	54	Low	160 Å²	160	119.1 Å²	119.1	84%	0.838	68%	0.681	S	S	*	*			trans	-53.6	92	146.3	-96.4	127.8	0	0	0	102.6	A22 V26	A22-L24 VanDerWaalsContact C-N 3.28Å; A22-L24 PolarHBondContact O-N 3.06Å; L24-V26 PolarHBondContact O-N 3Å
25	S	39.7	Very low	56.7	Low	90 Å²	90	110 Å²	110	63%	0.629	64%	0.643	S	S	*	*			trans	-56.3	93	150.8	58.3	0	0	0	0	101.9	P23 M27	P23-S25 PolarHBondContact O-N 3.38Å; S25-M27 PolarHBondContact O-N 3.26Å
26	V	43	Very low	59.2	Low	124 Å²	124	108.8 Å²	108.8	75%	0.752	63%	0.627	S	S	*	*			trans	-48.9	99.4	149.1	176.7	0	0	0	0	101.3	L24 A28	L24-V26 PolarHBondContact O-N 3Å; V26-A28 VanDerWaalsContact C-N 3.3Å; V26-A28 PolarHBondContact O-N 2.86Å
27	M	42.1	Very low	61.7	Low	164 Å²	164	106.9 Å²	106.9	81%	0.808	60%	0.602	S	S	*	*			trans	-49.6	111.7	172	-78.6	-175.6	70.3	0	0	102.6	S25 K29	S25-M27 PolarHBondContact O-N 3.26Å; M27-K29 VanDerWaalsContact C-N 3.35Å; M27-K29 PolarHBondContact O-N 2.74Å
28	A	48.5	Very low	64.1	Low	91 Å²	91	103.5 Å²	103.5	75%	0.752	59%	0.585	S	S	*	*			trans	-51.7	111.5	179.8	0	0	0	0	0	104.3	V26 S30	V26-A28 VanDerWaalsContact C-N 3.3Å; V26-A28 PolarHBondContact O-N 2.86Å; A28-S30 PolarHBondContact O-N 3.46Å
29	K	60.4	Low	66.4	Low	126 Å²	126	98.3 Å²	98.3	55%	0.548	57%	0.574	S	S	.	*			trans	-50.7	109.9	-177.4	-104.6	179	173.1	-178.8	0	104.9	M27 C31	M27-K29 VanDerWaalsContact C-N 3.35Å; M27-K29 PolarHBondContact O-N 2.74Å; K29-C31 PolarHBondContact O-N 2.95Å
30	S	78.1	Confident	68.9	Low	71 Å²	71	91 Å²	91	50%	0.497	54%	0.537	S	S	.	.			trans	-68.4	86.9	-172.7	52.5	0	0	0	0	106.5	A28 G55 P57	A28-S30 PolarHBondContact O-N 3.46Å; S30-G55 CarbonylContact C-O 3.59Å; S30-P57 WeakPolarHBondContact O-CD 3.44Å; S30-P57 WeakPolarHBondContact O-CG 3.35Å
31	C	92.6	Very high	71.8	Confident	41 Å²	41	85.4 Å²	85.4	28%	0.277	51%	0.51	S	S	.	.			trans	-109.7	132.4	179.7	-171.9	0	0	0	0	107.5	K29 S33 C37	K29-C31 PolarHBondContact O-N 2.95Å; C31-S33 PolarHBondContact O-N 3.24Å; C31-C37 VanDerWaalsContact CA-SG 3.51Å; C31-C37 HydrophobicContact CB-CB 3.69Å; C31-C37 WeakPolarHBondContact CB-SG 3.47Å; C31-C37 WeakPolarHBondContact SG-CB 3.27Å; C31-C37 PolarHBondContact SG-N 3.01Å; C31-C37 CovalentContact SG-SG 2.03Å; C31-C37 PolarHBondContact SG-SG 3.11Å
32	P	94.3	Very high	74.2	Confident	10 Å²	10	80 Å²	80	7%	0.065	48%	0.477	C	S	.	.			trans	-56.6	134.9	173.8	-20.3	30.7	0	0	0	110	V34 C35 P53 T54 G55 I56	P32-V34 HydrophobicContact CB-CG2 4.36Å; P32-V34 PolarHBondContact O-N 2.94Å; P32-V34 VanDerWaalsContact O-N 3.13Å; P32-C35 HydrophobicContact CB-CB 4.18Å; P32-C35 HydrophobicContact CG-CB 4.41Å; P32-C35 CarbonylContact O-C 3.5Å; P32-C35 WeakPolarHBondContact O-CA 3.19Å; P32-C35 PolarHBondContact O-N 2.69Å; P32-P53 HydrophobicContact CB-CB 3.54Å; P32-P53 HydrophobicContact CB-CG 4.41Å; P32-P53 HydrophobicContact CG-CB 3.94Å; P32-T54 WeakPolarHBondContact CG-O 3.3Å; P32-G55 WeakPolarHBondContact CD-O 3.44Å; P32-I56 HydrophobicContact CG-CG1 4.2Å
33	S	92.8	Very high	77.2	Confident	127 Å²	127	80.3 Å²	80.3	89%	0.888	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.2	-174.8	55.9	0	0	0	0	113.8	C31 C35	C31-S33 PolarHBondContact O-N 3.24Å; S33-C35 VanDerWaalsContact C-N 3.33Å
34	V	94.9	Very high	79.9	Confident	75 Å²	75	75.1 Å²	75.1	46%	0.455	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.7	176.5	-62.8	0	0	0	0	112.7	P32 R47 L49 P53	P32-V34 HydrophobicContact CB-CG2 4.36Å; P32-V34 PolarHBondContact O-N 2.94Å; P32-V34 VanDerWaalsContact O-N 3.13Å; V34-R47 WeakPolarHBondContact O-CD 3.26Å; V34-R47 PolarHBondContact O-NE 2.85Å; V34-L49 HydrophobicContact CG2-CD2 4.13Å; V34-P53 HydrophobicContact CG2-CB 3.89Å; V34-P53 HydrophobicContact CG2-CG 3.4Å; V34-P53 VanDerWaalsContact CG2-CG 3.4Å
35	C	96	Very high	82.9	Confident	14 Å²	14	68.8 Å²	68.8	10%	0.095	40%	0.397	C	S	.	.	S	Bend	trans	-107.2	165.7	-177.7	-59.1	0	0	0	0	111.9	P32 S33 Y43 C44	P32-C35 HydrophobicContact CB-CB 4.18Å; P32-C35 HydrophobicContact CG-CB 4.41Å; P32-C35 CarbonylContact O-C 3.5Å; P32-C35 WeakPolarHBondContact O-CA 3.19Å; P32-C35 PolarHBondContact O-N 2.69Å; S33-C35 VanDerWaalsContact C-N 3.33Å; C35-Y43 WeakPolarHBondContact CA-O 3.26Å; C35-Y43 WeakPolarHBondContact CB-O 3.21Å; C35-C44 HydrophobicContact CB-CB 4.16Å; C35-C44 WeakPolarHBondContact CB-SG 3.06Å; C35-C44 VanDerWaalsContact SG-CA 3.6Å; C35-C44 WeakPolarHBondContact SG-CB 3.46Å; C35-C44 CovalentContact SG-SG 2.03Å; C35-C44 PolarHBondContact SG-SG 2.89Å
36	R	95.6	Very high	85.6	Confident	158 Å²	158	68.7 Å²	68.7	60%	0.596	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.1	168.9	177	179.8	173.7	-176.3	-4	108.8	Y43	R36-Y43 PolarHBondContact N-O 2.8Å; R36-Y43 WeakPolarHBondContact O-CA 3.23Å; R36-Y43 WeakPolarHBondContact O-CB 3.25Å; R36-Y43 WeakPolarHBondContact O-CD2 3.06Å; R36-Y43 PolarHBondContact O-N 2.87Å
37	C	95.9	Very high	88.2	Confident	29 Å²	29	67 Å²	67	20%	0.196	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.3	179.9	-50.7	0	0	0	0	109.7	C31 F41 I42 P57	C31-C37 VanDerWaalsContact CA-SG 3.51Å; C31-C37 HydrophobicContact CB-CB 3.69Å; C31-C37 WeakPolarHBondContact CB-SG 3.47Å; C31-C37 WeakPolarHBondContact SG-CB 3.27Å; C31-C37 PolarHBondContact SG-N 3.01Å; C31-C37 CovalentContact SG-SG 2.03Å; C31-C37 PolarHBondContact SG-SG 3.11Å; C37-F41 WeakPolarHBondContact CA-O 3.18Å; C37-I42 HydrophobicContact CB-CD1 3.82Å; C37-P57 HydrophobicContact CB-CG 4.45Å
38	D	94.5	Very high	90.8	Very high	80 Å²	80	67 Å²	67	43%	0.428	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	121.5	-179.8	-165.7	-0.5	0	0	0	110.4	G40 F41 Y43	D38-G40 VanDerWaalsContact C-N 3.27Å; D38-G40 PolarHBondContact O-N 3.09Å; D38-F41 PolarHBondContact N-O 3.03Å; D38-F41 WeakPolarHBondContact O-CA 3.24Å; D38-F41 VanDerWaalsContact O-CB 3.29Å; D38-F41 WeakPolarHBondContact O-CB 3.45Å; D38-F41 WeakPolarHBondContact O-CD2 3.35Å; D38-F41 PolarHBondContact O-N 3.11Å; D38-Y43 HydrophobicContact CB-CE2 4.24Å
39	A	91.4	Very high	93.1	Very high	66 Å²	66	63.6 Å²	63.6	55%	0.545	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.6	43.6	177	0	0	0	0	0	116.8	F41	A39-F41 VanDerWaalsContact C-N 3.32Å
40	G	92	Very high	94.9	Very high	5 Å²	5	61.4 Å²	61.4	5%	0.052	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	-5.9	-178.7	0	0	0	0	0	115	D38 A60 T61 T62	D38-G40 VanDerWaalsContact C-N 3.27Å; D38-G40 PolarHBondContact O-N 3.09Å; G40-A60 CarbonylContact O-C 3.57Å; G40-A60 WeakPolarHBondContact O-CA 3.48Å; G40-T61 PolarHBondContact O-N 3.13Å; G40-T61 PolarHBondContact O-OG1 3.46Å; G40-T62 PolarHBondContact O-N 3.06Å
41	F	97.5	Very high	95.8	Very high	64 Å²	64	60.8 Å²	60.8	28%	0.281	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.6	170.1	-61.2	-95.6	0	0	0	110.1	C37 D38 A39 Y43 T62 Y64	C37-F41 WeakPolarHBondContact CA-O 3.18Å; D38-F41 PolarHBondContact N-O 3.03Å; D38-F41 WeakPolarHBondContact O-CA 3.24Å; D38-F41 VanDerWaalsContact O-CB 3.29Å; D38-F41 WeakPolarHBondContact O-CB 3.45Å; D38-F41 WeakPolarHBondContact O-CD2 3.35Å; D38-F41 PolarHBondContact O-N 3.11Å; A39-F41 VanDerWaalsContact C-N 3.32Å; F41-Y43 HydrophobicContact CB-CE2 3.7Å; F41-T62 HydrophobicContact CD1-CG2 4.12Å; F41-T62 HydrophobicContact CE1-CG2 4.44Å; F41-Y64 HydrophobicContact CB-CE2 4.28Å; F41-Y64 AromaticContact CD1-CE2 3.85Å; F41-Y64 HydrophobicContact CD1-CE2 3.85Å
42	I	97.5	Very high	96	Very high	2 Å²	2	59 Å²	59	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	109.6	-176	-45.9	-59.5	0	0	0	108.8	C37 I56 P57 A60 T62 L63 Y64	C37-I42 HydrophobicContact CB-CD1 3.82Å; I42-I56 HydrophobicContact CG1-CG2 4.1Å; I42-P57 HydrophobicContact CD1-CG 3.81Å; I42-A60 HydrophobicContact CD1-CB 4.02Å; I42-A60 HydrophobicContact CG1-CB 3.66Å; I42-T62 PolarHBondContact N-O 3.15Å; I42-L63 HydrophobicContact CB-CD2 3.69Å; I42-L63 HydrophobicContact CG1-CD2 3.57Å; I42-L63 HydrophobicContact CG2-CD2 4.33Å; I42-Y64 WeakPolarHBondContact O-CB 3.45Å; I42-Y64 PolarHBondContact O-N 3.31Å
43	Y	98	Very high	96	Very high	79 Å²	79	59.5 Å²	59.5	31%	0.31	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	93.3	-177.8	-58	-86.8	0	0	0	110.6	C35 R36 D38 F41 R47 Y64	C35-Y43 WeakPolarHBondContact CA-O 3.26Å; C35-Y43 WeakPolarHBondContact CB-O 3.21Å; R36-Y43 PolarHBondContact N-O 2.8Å; R36-Y43 WeakPolarHBondContact O-CA 3.23Å; R36-Y43 WeakPolarHBondContact O-CB 3.25Å; R36-Y43 WeakPolarHBondContact O-CD2 3.06Å; R36-Y43 PolarHBondContact O-N 2.87Å; D38-Y43 HydrophobicContact CB-CE2 4.24Å; F41-Y43 HydrophobicContact CB-CE2 3.7Å; Y43-R47 PolarHBondContact O-NH2 2.84Å; Y43-Y64 AromaticContact CD1-CD2 3.58Å; Y43-Y64 HydrophobicContact CD1-CD2 3.58Å; Y43-Y64 HydrophobicContact CD1-CE2 4.02Å; Y43-Y64 HydrophobicContact CD1-CG 4.19Å; Y43-Y64 AromaticContact CE1-CD2 3.59Å; Y43-Y64 HydrophobicContact CE1-CD2 3.59Å; Y43-Y64 AromaticContact CE1-CE2 3.51Å; Y43-Y64 HydrophobicContact CE1-CE2 3.51Å; Y43-Y64 HydrophobicContact CE1-CG 4.42Å; Y43-Y64 HydrophobicContact CG-CD2 4.25Å; Y43-Y64 AromaticContact CZ-CE2 3.97Å
44	C	97.6	Very high	95.9	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.007	31%	0.305	C	S	.	.			trans	-114.8	9.5	174.5	-64.9	0	0	0	0	111.9	C35 L49 Y64 L65 N68	C35-C44 HydrophobicContact CB-CB 4.16Å; C35-C44 WeakPolarHBondContact CB-SG 3.06Å; C35-C44 VanDerWaalsContact SG-CA 3.6Å; C35-C44 WeakPolarHBondContact SG-CB 3.46Å; C35-C44 CovalentContact SG-SG 2.03Å; C35-C44 PolarHBondContact SG-SG 2.89Å; C44-L49 HydrophobicContact CB-CD1 3.87Å; C44-L49 VanDerWaalsContact O-CD1 3.23Å; C44-L49 WeakPolarHBondContact O-CD1 3.07Å; C44-Y64 CarbonylContact C-O 3.14Å; C44-Y64 VanDerWaalsContact C-O 3.23Å; C44-Y64 VanDerWaalsContact CA-O 3.28Å; C44-Y64 WeakPolarHBondContact CA-O 3.34Å; C44-Y64 WeakPolarHBondContact CB-O 3.3Å; C44-Y64 PolarHBondContact N-O 3.33Å; C44-L65 HydrophobicContact CB-CD2 3.53Å; C44-N68 PolarHBondContact O-ND2 2.76Å
45	N	97.7	Very high	95.6	Very high	28 Å²	28	56.9 Å²	56.9	15%	0.15	31%	0.306	C	S	.	.			trans	-69.5	157	179.3	58.2	-74.6	0	0	0	113.3	R47 Y64 Q66	N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 WeakPolarHBondContact O-CG 3.42Å; N45-R47 PolarHBondContact O-N 2.83Å; N45-R47 PolarHBondContact O-NH1 2.85Å; N45-Y64 PolarHBondContact N-O 2.83Å; N45-Q66 WeakPolarHBondContact CA-O 3.43Å; N45-Q66 VanDerWaalsContact CB-CD 3.42Å; N45-Q66 HydrophobicContact CB-CG 3.75Å; N45-Q66 WeakPolarHBondContact CB-O 3.43Å
46	D	97.8	Very high	95.6	Very high	88 Å²	88	57.2 Å²	57.2	47%	0.471	31%	0.307	S	S	.	.	S	Bend	trans	55.2	40.2	171	-54.7	-83.2	0	0	0	114.5	Q66 N67	D46-Q66 PolarHBondContact N-O 3.06Å; D46-Q66 VanDerWaalsContact N-O 3.09Å; D46-N67 WeakPolarHBondContact CA-O 3.27Å; D46-N67 PolarHBondContact N-O 3.12Å; D46-N67 WeakPolarHBondContact OD1-CB 3.35Å; D46-N67 PolarHBondContact OD1-ND2 3.29Å
47	R	96.5	Very high	95.5	Very high	88 Å²	88	49.9 Å²	49.9	33%	0.332	28%	0.28	S	S	.	.	S	Bend	trans	-124	10	-172.1	-82.2	162.2	173.2	76.1	-3.2	114	V34 Y43 N45 L49 N68	V34-R47 WeakPolarHBondContact O-CD 3.26Å; V34-R47 PolarHBondContact O-NE 2.85Å; Y43-R47 PolarHBondContact O-NH2 2.84Å; N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 WeakPolarHBondContact O-CG 3.42Å; N45-R47 PolarHBondContact O-N 2.83Å; N45-R47 PolarHBondContact O-NH1 2.85Å; R47-L49 HydrophobicContact CB-CD1 4.14Å; R47-L49 HydrophobicContact CB-CD2 4.27Å; R47-L49 HydrophobicContact CB-CG 3.76Å; R47-L49 PolarHBondContact O-N 3.32Å; R47-N68 WeakPolarHBondContact CA-OD1 3.4Å; R47-N68 PolarHBondContact N-OD1 2.8Å
48	F	96.9	Very high	95.3	Very high	163 Å²	163	56.3 Å²	56.3	72%	0.715	31%	0.307	S	S	*	.			trans	54.5	32.2	-176.9	-54.3	-83.9	0	0	0	112.5	T50 N68	F48-T50 PolarHBondContact O-N 2.91Å; F48-N68 PolarHBondContact N-OD1 2.79Å
49	L	97.4	Very high	95.3	Very high	21 Å²	21	55.7 Å²	55.7	11%	0.11	30%	0.304	C	S	.	.			trans	-71	131	-179	-63	173.6	0	0	0	109.8	V34 C44 R47 P53 N68 Q69 I70	V34-L49 HydrophobicContact CG2-CD2 4.13Å; C44-L49 HydrophobicContact CB-CD1 3.87Å; C44-L49 VanDerWaalsContact O-CD1 3.23Å; C44-L49 WeakPolarHBondContact O-CD1 3.07Å; R47-L49 HydrophobicContact CB-CD1 4.14Å; R47-L49 HydrophobicContact CB-CD2 4.27Å; R47-L49 HydrophobicContact CB-CG 3.76Å; R47-L49 PolarHBondContact O-N 3.32Å; L49-P53 HydrophobicContact CD1-CG 4.05Å; L49-P53 HydrophobicContact CD2-CG 4.19Å; L49-N68 HydrophobicContact CB-CB 4.17Å; L49-N68 PolarHBondContact N-OD1 2.92Å; L49-Q69 CarbonylContact O-C 3.42Å; L49-Q69 VanDerWaalsContact O-CA 3.32Å; L49-Q69 WeakPolarHBondContact O-CA 3.3Å; L49-Q69 PolarHBondContact O-N 3.04Å; L49-I70 HydrophobicContact CB-CG1 4.27Å; L49-I70 WeakPolarHBondContact O-CG1 3.48Å; L49-I70 PolarHBondContact O-N 2.94Å; L49-I70 VanDerWaalsContact O-N 3.17Å
50	T	97.3	Very high	95.6	Very high	80 Å²	80	52.6 Å²	52.6	49%	0.491	28%	0.278	S	S	.	.	S	Bend	trans	-93.4	-15.3	170.6	57.3	0	0	0	0	112.5	F48 Q69	F48-T50 PolarHBondContact O-N 2.91Å; T50-Q69 WeakPolarHBondContact CA-O 3.3Å; T50-Q69 HydrophobicContact CG2-CB 4.27Å
51	S	97.4	Very high	95.8	Very high	57 Å²	57	54.5 Å²	54.5	40%	0.399	29%	0.289	S	S	.	.	S	Bend	trans	-145.4	154.8	176.8	59.1	0	0	0	0	110.5	P53 G74	S51-P53 WeakPolarHBondContact O-CD 3.49Å; S51-G74 CarbonylContact C-O 3.2Å; S51-G74 VanDerWaalsContact CA-O 3.28Å; S51-G74 WeakPolarHBondContact CA-O 3.02Å; S51-G74 WeakPolarHBondContact CB-O 3.47Å
52	I	97.3	Very high	95.9	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-71.7	125.5	175.5	-58	174.9	0	0	0	108.2	I56 L65 I70 G74 I75 P76 L79	I52-I56 HydrophobicContact CG2-CD1 3.71Å; I52-L65 HydrophobicContact CD1-CD1 3.82Å; I52-L65 HydrophobicContact CG1-CD1 4.15Å; I52-L65 HydrophobicContact CG1-CD2 4.24Å; I52-L65 HydrophobicContact CG2-CD1 4.45Å; I52-L65 HydrophobicContact CG2-CD2 4.14Å; I52-I70 HydrophobicContact CG1-CD1 4.02Å; I52-I70 HydrophobicContact CG1-CG2 4.24Å; I52-G74 PolarHBondContact N-O 2.62Å; I52-I75 HydrophobicContact CD1-CB 4.34Å; I52-I75 HydrophobicContact CD1-CG1 3.99Å; I52-I75 HydrophobicContact CD1-CG2 4.08Å; I52-P76 HydrophobicContact CB-CG 4.36Å; I52-L79 HydrophobicContact CD1-CD2 3.73Å; I52-L79 HydrophobicContact CG2-CD1 4.23Å
53	P	94.8	Very high	95.9	Very high	20 Å²	20	51.5 Å²	51.5	13%	0.13	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-62.7	144.5	-179	-25.7	36.8	0	0	0	112.6	P32 V34 L49 S51	P32-P53 HydrophobicContact CB-CB 3.54Å; P32-P53 HydrophobicContact CB-CG 4.41Å; P32-P53 HydrophobicContact CG-CB 3.94Å; V34-P53 HydrophobicContact CG2-CB 3.89Å; V34-P53 HydrophobicContact CG2-CG 3.4Å; V34-P53 VanDerWaalsContact CG2-CG 3.4Å; L49-P53 HydrophobicContact CD1-CG 4.05Å; L49-P53 HydrophobicContact CD2-CG 4.19Å; S51-P53 WeakPolarHBondContact O-CD 3.49Å
54	T	90.1	Very high	95.9	Very high	101 Å²	101	50 Å²	50	62%	0.62	27%	0.27	S	S	*	.	S	Bend	trans	-75.3	158	173.3	57.5	0	0	0	0	111.2	P32	P32-T54 WeakPolarHBondContact CG-O 3.3Å
55	G	89.4	Confident	96	Very high	46 Å²	46	50 Å²	50	47%	0.474	27%	0.27	S	S	.	.			trans	80.8	33.7	178	0	0	0	0	0	114.3	S30 P32	S30-G55 CarbonylContact C-O 3.59Å; P32-G55 WeakPolarHBondContact CD-O 3.44Å
56	I	94.5	Very high	96	Very high	20 Å²	20	49.4 Å²	49.4	10%	0.103	27%	0.266	C	S	.	.			trans	-67	134.4	167.7	-64.4	174.8	0	0	0	108.9	P32 I42 I52 A60 L63 L79 L82	P32-I56 HydrophobicContact CG-CG1 4.2Å; I42-I56 HydrophobicContact CG1-CG2 4.1Å; I52-I56 HydrophobicContact CG2-CD1 3.71Å; I56-A60 HydrophobicContact CG2-CB 3.9Å; I56-L63 HydrophobicContact CD1-CD2 4.48Å; I56-L63 HydrophobicContact CG2-CD2 4.02Å; I56-L79 HydrophobicContact CD1-CD1 3.78Å; I56-L82 HydrophobicContact CB-CD1 4Å; I56-L82 HydrophobicContact CB-CD2 4.49Å; I56-L82 HydrophobicContact CD1-CD1 4.31Å; I56-L82 HydrophobicContact CG2-CD1 3.57Å; I56-L82 HydrophobicContact CG2-CD2 4.24Å
57	P	93.8	Very high	96	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.032	26%	0.257	C	S	.	.			trans	-57.3	141.3	177.4	-19	25.8	0	0	0	113.4	S30 C37 I42 D59 A60	S30-P57 WeakPolarHBondContact O-CD 3.44Å; S30-P57 WeakPolarHBondContact O-CG 3.35Å; C37-P57 HydrophobicContact CB-CG 4.45Å; I42-P57 HydrophobicContact CD1-CG 3.81Å; P57-D59 WeakPolarHBondContact CB-OD1 3.35Å; P57-D59 PolarHBondContact O-N 2.04Å; P57-A60 WeakPolarHBondContact O-CB 3.45Å; P57-A60 PolarHBondContact O-N 3.23Å; P57-A60 VanDerWaalsContact O-N 3.1Å
58	E	93	Very high	96.1	Very high	164 Å²	164	43.9 Å²	43.9	77%	0.766	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-19	175.7	-63.9	-179.5	-175.5	0	0	113.5	A60	E58-A60 VanDerWaalsContact C-N 3.27Å
59	D	93.9	Very high	96.2	Very high	67 Å²	67	40.8 Å²	40.8	36%	0.358	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	6.4	174.3	71.8	-32.9	0	0	0	113.6	P57 T61	P57-D59 WeakPolarHBondContact CB-OD1 3.35Å; P57-D59 PolarHBondContact O-N 2.04Å; D59-T61 PolarHBondContact O-N 3.36Å
60	A	96.3	Very high	96.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.226	C	C	.	.			trans	-60.1	132.4	174.7	0	0	0	0	0	111.7	G40 I42 I56 P57 E58 L63 K84 V85	G40-A60 CarbonylContact O-C 3.57Å; G40-A60 WeakPolarHBondContact O-CA 3.48Å; I42-A60 HydrophobicContact CD1-CB 4.02Å; I42-A60 HydrophobicContact CG1-CB 3.66Å; I56-A60 HydrophobicContact CG2-CB 3.9Å; P57-A60 WeakPolarHBondContact O-CB 3.45Å; P57-A60 PolarHBondContact O-N 3.23Å; P57-A60 VanDerWaalsContact O-N 3.1Å; E58-A60 VanDerWaalsContact C-N 3.27Å; A60-L63 HydrophobicContact CB-CD2 4.11Å; A60-K84 CarbonylContact O-C 3.33Å; A60-K84 WeakPolarHBondContact O-CB 3.5Å; A60-V85 HydrophobicContact CB-CG2 3.96Å; A60-V85 VanDerWaalsContact O-CG2 3.3Å; A60-V85 WeakPolarHBondContact O-CG2 3.11Å; A60-V85 PolarHBondContact O-N 3.15Å
61	T	97.4	Very high	96.2	Very high	46 Å²	46	39 Å²	39	28%	0.282	22%	0.219	S	C	.	.			trans	-114.8	-35.1	177.9	58	0	0	0	0	111.9	G40 D59 K84 E86 R87	G40-T61 PolarHBondContact O-N 3.13Å; G40-T61 PolarHBondContact O-OG1 3.46Å; D59-T61 PolarHBondContact O-N 3.36Å; T61-K84 WeakPolarHBondContact CA-O 3.26Å; T61-E86 PolarHBondContact O-N 3.46Å; T61-R87 PolarHBondContact O-N 3.19Å
62	T	98.4	Very high	96.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.7	-177.6	-55	0	0	0	0	110.2	G40 F41 I42 Y64 R87 Y89	G40-T62 PolarHBondContact O-N 3.06Å; F41-T62 HydrophobicContact CD1-CG2 4.12Å; F41-T62 HydrophobicContact CE1-CG2 4.44Å; I42-T62 PolarHBondContact N-O 3.15Å; T62-Y64 HydrophobicContact CG2-CD2 4.41Å; T62-Y64 HydrophobicContact CG2-CE1 4.34Å; T62-Y64 HydrophobicContact CG2-CE2 3.87Å; T62-R87 WeakPolarHBondContact CA-O 3.23Å; T62-R87 HydrophobicContact CG2-CB 4.11Å; T62-R87 PolarHBondContact OG1-NE 2.82Å; T62-R87 PolarHBondContact OG1-NH2 2.91Å; T62-Y89 HydrophobicContact CG2-CD2 4.22Å; T62-Y89 HydrophobicContact CG2-CE2 3.81Å
63	L	98.3	Very high	96.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118	178.7	-58.2	-177.9	0	0	0	110.6	I42 I56 A60 L65 L79 L82 V85 R87 I88 Y89	I42-L63 HydrophobicContact CB-CD2 3.69Å; I42-L63 HydrophobicContact CG1-CD2 3.57Å; I42-L63 HydrophobicContact CG2-CD2 4.33Å; I56-L63 HydrophobicContact CD1-CD2 4.48Å; I56-L63 HydrophobicContact CG2-CD2 4.02Å; A60-L63 HydrophobicContact CB-CD2 4.11Å; L63-L65 HydrophobicContact CB-CD1 4.1Å; L63-L65 HydrophobicContact CB-CG 4.4Å; L63-L65 HydrophobicContact CD1-CD1 4.4Å; L63-L79 HydrophobicContact CD1-CD1 4.1Å; L63-L82 HydrophobicContact CD1-CD1 4.33Å; L63-V85 HydrophobicContact CD1-CG1 4.01Å; L63-V85 HydrophobicContact CD1-CG2 4.19Å; L63-V85 HydrophobicContact CD2-CG2 4.38Å; L63-V85 HydrophobicContact CG-CG1 3.92Å; L63-V85 HydrophobicContact CG-CG2 4.13Å; L63-R87 PolarHBondContact N-O 3.38Å; L63-I88 HydrophobicContact CB-CG1 4.37Å; L63-I88 HydrophobicContact CB-CG2 4.46Å; L63-I88 HydrophobicContact CD1-CD1 4.25Å; L63-I88 HydrophobicContact CD1-CG1 4.25Å; L63-Y89 PolarHBondContact O-N 3.03Å
64	Y	98.6	Very high	96.2	Very high	46 Å²	46	41.4 Å²	41.4	18%	0.18	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	105.1	170.5	-61.4	-79.2	0	0	0	109.4	F41 I42 Y43 C44 N45 T62 Q66 Y89	F41-Y64 HydrophobicContact CB-CE2 4.28Å; F41-Y64 AromaticContact CD1-CE2 3.85Å; F41-Y64 HydrophobicContact CD1-CE2 3.85Å; I42-Y64 WeakPolarHBondContact O-CB 3.45Å; I42-Y64 PolarHBondContact O-N 3.31Å; Y43-Y64 AromaticContact CD1-CD2 3.58Å; Y43-Y64 HydrophobicContact CD1-CD2 3.58Å; Y43-Y64 HydrophobicContact CD1-CE2 4.02Å; Y43-Y64 HydrophobicContact CD1-CG 4.19Å; Y43-Y64 AromaticContact CE1-CD2 3.59Å; Y43-Y64 HydrophobicContact CE1-CD2 3.59Å; Y43-Y64 AromaticContact CE1-CE2 3.51Å; Y43-Y64 HydrophobicContact CE1-CE2 3.51Å; Y43-Y64 HydrophobicContact CE1-CG 4.42Å; Y43-Y64 HydrophobicContact CG-CD2 4.25Å; Y43-Y64 AromaticContact CZ-CE2 3.97Å; C44-Y64 CarbonylContact C-O 3.14Å; C44-Y64 VanDerWaalsContact C-O 3.23Å; C44-Y64 VanDerWaalsContact CA-O 3.28Å; C44-Y64 WeakPolarHBondContact CA-O 3.34Å; C44-Y64 WeakPolarHBondContact CB-O 3.3Å; C44-Y64 PolarHBondContact N-O 3.33Å; N45-Y64 PolarHBondContact N-O 2.83Å; T62-Y64 HydrophobicContact CG2-CD2 4.41Å; T62-Y64 HydrophobicContact CG2-CE1 4.34Å; T62-Y64 HydrophobicContact CG2-CE2 3.87Å; Y64-Q66 VanDerWaalsContact CA-OE1 3.31Å; Y64-Y89 AromaticContact CD1-CD2 3.38Å; Y64-Y89 HydrophobicContact CD1-CD2 3.38Å; Y64-Y89 AromaticContact CD1-CE2 3.91Å; Y64-Y89 HydrophobicContact CD1-CE2 3.91Å; Y64-Y89 HydrophobicContact CD1-CG 4.08Å; Y64-Y89 AromaticContact CE1-CD2 3.46Å; Y64-Y89 HydrophobicContact CE1-CD2 3.46Å; Y64-Y89 VanDerWaalsContact CE1-CD2 3.46Å; Y64-Y89 AromaticContact CE1-CE2 3.45Å; Y64-Y89 HydrophobicContact CE1-CE2 3.45Å; Y64-Y89 VanDerWaalsContact CE1-CE2 3.45Å; Y64-Y89 HydrophobicContact CE1-CG 4.38Å; Y64-Y89 HydrophobicContact CG-CD2 4.27Å
65	L	98.3	Very high	96.5	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	21%	0.214	C	C	.	.			trans	-125.1	8.6	-176.7	-65.4	162.8	0	0	0	111.9	C44 I52 L63 N68 I70 I88 Y89 L90 N93	C44-L65 HydrophobicContact CB-CD2 3.53Å; I52-L65 HydrophobicContact CD1-CD1 3.82Å; I52-L65 HydrophobicContact CG1-CD1 4.15Å; I52-L65 HydrophobicContact CG1-CD2 4.24Å; I52-L65 HydrophobicContact CG2-CD1 4.45Å; I52-L65 HydrophobicContact CG2-CD2 4.14Å; L63-L65 HydrophobicContact CB-CD1 4.1Å; L63-L65 HydrophobicContact CB-CG 4.4Å; L63-L65 HydrophobicContact CD1-CD1 4.4Å; L65-N68 PolarHBondContact O-ND2 3.37Å; L65-I70 HydrophobicContact CB-CD1 4.12Å; L65-I70 HydrophobicContact CD2-CD1 4.29Å; L65-I88 HydrophobicContact CD1-CG2 4.39Å; L65-Y89 CarbonylContact C-O 3.24Å; L65-Y89 VanDerWaalsContact C-O 3.22Å; L65-Y89 VanDerWaalsContact CA-O 3.22Å; L65-Y89 WeakPolarHBondContact CA-O 3.42Å; L65-Y89 VanDerWaalsContact CB-O 3.3Å; L65-Y89 WeakPolarHBondContact CB-O 2.97Å; L65-Y89 PolarHBondContact N-O 3.14Å; L65-L90 HydrophobicContact CB-CD2 3.63Å; L65-L90 HydrophobicContact CB-CG 4.2Å; L65-L90 HydrophobicContact CD1-CD2 3.99Å; L65-L90 HydrophobicContact CD1-CG 4.3Å; L65-L90 HydrophobicContact CG-CD2 4.45Å; L65-N93 PolarHBondContact O-ND2 3.24Å
66	Q	98.4	Very high	96.8	Very high	15 Å²	15	36.2 Å²	36.2	7%	0.07	20%	0.201	C	C	.	.			trans	-67.7	166.4	-177.7	69.9	-93.1	21.9	0	0	114.1	N45 D46 Y64 N68 Y89 Y91	N45-Q66 WeakPolarHBondContact CA-O 3.43Å; N45-Q66 VanDerWaalsContact CB-CD 3.42Å; N45-Q66 HydrophobicContact CB-CG 3.75Å; N45-Q66 WeakPolarHBondContact CB-O 3.43Å; D46-Q66 PolarHBondContact N-O 3.06Å; D46-Q66 VanDerWaalsContact N-O 3.09Å; Y64-Q66 VanDerWaalsContact CA-OE1 3.31Å; Q66-N68 VanDerWaalsContact C-N 3.31Å; Q66-N68 PolarHBondContact O-N 3.4Å; Q66-N68 PolarHBondContact O-ND2 3.13Å; Q66-Y89 PolarHBondContact N-O 2.89Å; Q66-Y91 CarbonylContact C-O 3.15Å; Q66-Y91 WeakPolarHBondContact CA-O 3.48Å; Q66-Y91 HydrophobicContact CB-CD1 3.68Å; Q66-Y91 HydrophobicContact CB-CD2 3.6Å; Q66-Y91 HydrophobicContact CB-CE1 3.51Å; Q66-Y91 HydrophobicContact CB-CE2 3.42Å; Q66-Y91 VanDerWaalsContact CB-CE2 3.42Å; Q66-Y91 HydrophobicContact CB-CG 3.73Å; Q66-Y91 VanDerWaalsContact CB-O 3.3Å; Q66-Y91 WeakPolarHBondContact CB-O 3.27Å; Q66-Y91 HydrophobicContact CG-CD1 4.46Å; Q66-Y91 HydrophobicContact CG-CD2 4.31Å; Q66-Y91 HydrophobicContact CG-CE1 3.79Å; Q66-Y91 HydrophobicContact CG-CE2 3.6Å; Q66-Y91 WeakPolarHBondContact CG-OH 3.44Å; Q66-Y91 PolarHBondContact NE2-OH 3.33Å
67	N	98.3	Very high	96.8	Very high	51 Å²	51	38.2 Å²	38.2	27%	0.273	22%	0.217	S	C	.	.	S	Bend	trans	53.7	48.4	176.1	-60	-26.3	0	0	0	111.8	D46 Y91 H92	D46-N67 WeakPolarHBondContact CA-O 3.27Å; D46-N67 PolarHBondContact N-O 3.12Å; D46-N67 WeakPolarHBondContact OD1-CB 3.35Å; D46-N67 PolarHBondContact OD1-ND2 3.29Å; N67-Y91 PolarHBondContact N-O 3.22Å; N67-Y91 VanDerWaalsContact N-O 3.09Å; N67-H92 VanDerWaalsContact CA-O 3.25Å; N67-H92 WeakPolarHBondContact CA-O 3.35Å; N67-H92 PolarHBondContact N-O 3.24Å; N67-H92 VanDerWaalsContact N-O 3.17Å; N67-H92 WeakPolarHBondContact OD1-CB 3.11Å; N67-H92 PolarHBondContact OD1-ND1 3.31Å
68	N	98.4	Very high	96.6	Very high	10 Å²	10	42 Å²	42	5%	0.053	24%	0.236	C	C	.	.	S	Bend	trans	-128.9	-169.6	177.8	-79	-58	0	0	0	109.1	C44 R47 F48 L49 L65 Q66 I70 H92 N93	C44-N68 PolarHBondContact O-ND2 2.76Å; R47-N68 WeakPolarHBondContact CA-OD1 3.4Å; R47-N68 PolarHBondContact N-OD1 2.8Å; F48-N68 PolarHBondContact N-OD1 2.79Å; L49-N68 HydrophobicContact CB-CB 4.17Å; L49-N68 PolarHBondContact N-OD1 2.92Å; L65-N68 PolarHBondContact O-ND2 3.37Å; Q66-N68 VanDerWaalsContact C-N 3.31Å; Q66-N68 PolarHBondContact O-N 3.4Å; Q66-N68 PolarHBondContact O-ND2 3.13Å; N68-I70 HydrophobicContact CB-CD1 4.03Å; N68-I70 HydrophobicContact CB-CG1 3.96Å; N68-H92 PolarHBondContact N-O 3.4Å; N68-H92 VanDerWaalsContact N-O 3.14Å; N68-N93 WeakPolarHBondContact CA-OD1 3.17Å; N68-N93 WeakPolarHBondContact CB-OD1 3.39Å; N68-N93 PolarHBondContact O-OD1 3.06Å
69	Q	98.1	Very high	96.8	Very high	97 Å²	97	34.4 Å²	34.4	45%	0.453	20%	0.201	S	C	.	.			trans	-118.7	31.1	179.7	-62.7	174.2	-18.4	0	0	110	L49 T50 N71 N93	L49-Q69 CarbonylContact O-C 3.42Å; L49-Q69 VanDerWaalsContact O-CA 3.32Å; L49-Q69 WeakPolarHBondContact O-CA 3.3Å; L49-Q69 PolarHBondContact O-N 3.04Å; T50-Q69 WeakPolarHBondContact CA-O 3.3Å; T50-Q69 HydrophobicContact CG2-CB 4.27Å; Q69-N71 PolarHBondContact O-N 3.06Å; Q69-N93 PolarHBondContact N-OD1 3.48Å
70	I	98.3	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.			trans	-70.3	126.8	-175.1	-59.8	165	0	0	0	108.3	L49 I52 L65 N68 I75 L90 N93 S94 L95	L49-I70 HydrophobicContact CB-CG1 4.27Å; L49-I70 WeakPolarHBondContact O-CG1 3.48Å; L49-I70 PolarHBondContact O-N 2.94Å; L49-I70 VanDerWaalsContact O-N 3.17Å; I52-I70 HydrophobicContact CG1-CD1 4.02Å; I52-I70 HydrophobicContact CG1-CG2 4.24Å; L65-I70 HydrophobicContact CB-CD1 4.12Å; L65-I70 HydrophobicContact CD2-CD1 4.29Å; N68-I70 HydrophobicContact CB-CD1 4.03Å; N68-I70 HydrophobicContact CB-CG1 3.96Å; I70-I75 HydrophobicContact CG2-CG1 4.27Å; I70-L90 HydrophobicContact CD1-CD2 4.18Å; I70-N93 VanDerWaalsContact CB-OD1 3.29Å; I70-N93 WeakPolarHBondContact CB-OD1 3.5Å; I70-N93 WeakPolarHBondContact CG1-OD1 3.41Å; I70-N93 PolarHBondContact N-OD1 3Å; I70-S94 CarbonylContact O-C 3.15Å; I70-S94 VanDerWaalsContact O-C 3.23Å; I70-S94 WeakPolarHBondContact O-CA 3.35Å; I70-S94 PolarHBondContact O-N 2.85Å; I70-L95 HydrophobicContact CG2-CD2 4.49Å; I70-L95 PolarHBondContact O-N 3.02Å
71	N	97.6	Very high	96.7	Very high	65 Å²	65	41 Å²	41	35%	0.348	23%	0.232	S	C	.	.			trans	-105.8	172.9	170.9	63.4	50.9	0	0	0	110.5	Q69 A73 G74	Q69-N71 PolarHBondContact O-N 3.06Å; N71-A73 VanDerWaalsContact C-N 3.3Å; N71-A73 PolarHBondContact O-N 2.99Å; N71-A73 WeakPolarHBondContact OD1-CA 3.46Å; N71-A73 WeakPolarHBondContact OD1-CB 3.46Å; N71-A73 PolarHBondContact OD1-N 3.08Å; N71-A73 VanDerWaalsContact OD1-N 3.1Å; N71-G74 WeakPolarHBondContact O-CA 2.97Å; N71-G74 PolarHBondContact O-N 3.5Å; N71-G74 PolarHBondContact OD1-N 3.1Å
72	N	97.1	Very high	96.6	Very high	23 Å²	23	39.4 Å²	39.4	12%	0.123	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-59.5	-36.8	-177	-71.1	72.3	0	0	0	113.6	G74 I75 L95 D96 E97	N72-G74 PolarHBondContact O-N 2.8Å; N72-I75 PolarHBondContact O-N 2.57Å; N72-L95 VanDerWaalsContact OD1-CA 3.27Å; N72-L95 WeakPolarHBondContact OD1-CA 3.37Å; N72-D96 PolarHBondContact OD1-N 3.33Å; N72-D96 PolarHBondContact OD1-OD1 3.25Å; N72-E97 HydrophobicContact CB-CG 4.04Å; N72-E97 VanDerWaalsContact CG-CG 3.43Å; N72-E97 WeakPolarHBondContact ND2-CG 2.98Å; N72-E97 PolarHBondContact ND2-O 3.21Å; N72-E97 PolarHBondContact OD1-N 3.4Å
73	A	96.4	Very high	96.4	Very high	101 Å²	101	44.2 Å²	44.2	84%	0.835	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-70	-18.8	174.4	0	0	0	0	0	113.1	N71 I75	N71-A73 VanDerWaalsContact C-N 3.3Å; N71-A73 PolarHBondContact O-N 2.99Å; N71-A73 WeakPolarHBondContact OD1-CA 3.46Å; N71-A73 WeakPolarHBondContact OD1-CB 3.46Å; N71-A73 PolarHBondContact OD1-N 3.08Å; N71-A73 VanDerWaalsContact OD1-N 3.1Å; A73-I75 PolarHBondContact O-N 3.2Å
74	G	95.5	Very high	96.4	Very high	7 Å²	7	50.4 Å²	50.4	7%	0.072	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-77.7	-0.2	176.8	0	0	0	0	0	114.6	S51 I52 N71 N72 P76	S51-G74 CarbonylContact C-O 3.2Å; S51-G74 VanDerWaalsContact CA-O 3.28Å; S51-G74 WeakPolarHBondContact CA-O 3.02Å; S51-G74 WeakPolarHBondContact CB-O 3.47Å; I52-G74 PolarHBondContact N-O 2.62Å; N71-G74 WeakPolarHBondContact O-CA 2.97Å; N71-G74 PolarHBondContact O-N 3.5Å; N71-G74 PolarHBondContact OD1-N 3.1Å; N72-G74 PolarHBondContact O-N 2.8Å; G74-P76 WeakPolarHBondContact O-CD 3.21Å
75	I	96.9	Very high	96.3	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.036	27%	0.265	C	S	.	.	S	Bend	trans	-99.6	104.7	180	-55	-179.4	0	0	0	109.6	I52 I70 N72 A73 L79 L95 P99 N101	I52-I75 HydrophobicContact CD1-CB 4.34Å; I52-I75 HydrophobicContact CD1-CG1 3.99Å; I52-I75 HydrophobicContact CD1-CG2 4.08Å; I70-I75 HydrophobicContact CG2-CG1 4.27Å; N72-I75 PolarHBondContact O-N 2.57Å; A73-I75 PolarHBondContact O-N 3.2Å; I75-L79 HydrophobicContact CG2-CD2 3.76Å; I75-L95 HydrophobicContact CD1-CD2 4.12Å; I75-P99 HydrophobicContact CD1-CB 3.35Å; I75-N101 HydrophobicContact CG2-CB 3.9Å; I75-N101 PolarHBondContact O-ND2 2.88Å
76	P	95.6	Very high	96.3	Very high	32 Å²	32	52.2 Å²	52.2	21%	0.208	28%	0.283	C	S	.	.			trans	-70.2	149.9	-174.8	29.5	-34.1	0	0	0	112	I52 G74 D78 L79	I52-P76 HydrophobicContact CB-CG 4.36Å; G74-P76 WeakPolarHBondContact O-CD 3.21Å; P76-D78 PolarHBondContact O-N 3.49Å; P76-L79 HydrophobicContact CG-CB 4.43Å; P76-L79 VanDerWaalsContact O-CB 3.29Å; P76-L79 WeakPolarHBondContact O-CB 3.19Å; P76-L79 PolarHBondContact O-N 3.27Å
77	S	93.8	Very high	96.3	Very high	62 Å²	62	55 Å²	55	43%	0.434	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-64.1	-23.4	-176.6	70.3	0	0	0	0	114.3	L79 K80	S77-L79 VanDerWaalsContact C-N 3.29Å; S77-K80 WeakPolarHBondContact O-CD 3.24Å; S77-K80 VanDerWaalsContact O-CE 3.29Å; S77-K80 WeakPolarHBondContact O-CE 3.49Å; S77-K80 WeakPolarHBondContact O-CG 3.3Å
78	D	90.9	Very high	96.4	Very high	83 Å²	83	52.6 Å²	52.6	44%	0.444	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-78.8	-18.3	-175	7.7	-37.8	0	0	0	111.1	P76 K80 N81	P76-D78 PolarHBondContact O-N 3.49Å; D78-K80 PolarHBondContact O-N 3.25Å; D78-N81 WeakPolarHBondContact O-CB 3.36Å; D78-N81 PolarHBondContact O-N 3.16Å; D78-N81 VanDerWaalsContact O-N 3.09Å
79	L	95.2	Very high	96.4	Very high	5 Å²	5	54 Å²	54	3%	0.026	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-59.4	-32.7	175.1	-167.5	75	0	0	0	112	I52 I56 L63 I75 P76 S77 N81 L82 L102 P103	I52-L79 HydrophobicContact CD1-CD2 3.73Å; I52-L79 HydrophobicContact CG2-CD1 4.23Å; I56-L79 HydrophobicContact CD1-CD1 3.78Å; L63-L79 HydrophobicContact CD1-CD1 4.1Å; I75-L79 HydrophobicContact CG2-CD2 3.76Å; P76-L79 HydrophobicContact CG-CB 4.43Å; P76-L79 VanDerWaalsContact O-CB 3.29Å; P76-L79 WeakPolarHBondContact O-CB 3.19Å; P76-L79 PolarHBondContact O-N 3.27Å; S77-L79 VanDerWaalsContact C-N 3.29Å; L79-N81 PolarHBondContact O-N 3.09Å; L79-L82 HydrophobicContact CD1-CD1 3.64Å; L79-L82 HydrophobicContact CG-CD1 4.45Å; L79-L82 PolarHBondContact O-N 3.19Å; L79-L82 VanDerWaalsContact O-N 3.14Å; L79-L102 HydrophobicContact CD2-CD2 4.36Å; L79-P103 HydrophobicContact CG-CG 4.21Å; L79-P103 WeakPolarHBondContact O-CG 3.41Å
80	K	94.4	Very high	96.4	Very high	102 Å²	102	49.4 Å²	49.4	44%	0.443	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-58.9	-22.4	177.4	80.8	-166.9	169.9	-173	0	113.8	S77 D78 L82 N101	S77-K80 WeakPolarHBondContact O-CD 3.24Å; S77-K80 VanDerWaalsContact O-CE 3.29Å; S77-K80 WeakPolarHBondContact O-CE 3.49Å; S77-K80 WeakPolarHBondContact O-CG 3.3Å; D78-K80 PolarHBondContact O-N 3.25Å; K80-L82 VanDerWaalsContact C-N 3.31Å; K80-N101 PolarHBondContact N-O 3.38Å
81	N	93.9	Very high	96.4	Very high	104 Å²	104	52.1 Å²	52.1	56%	0.556	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-83.4	-4.9	-176.6	-61.4	-24.6	0	0	0	113	D78 L79 L83	D78-N81 WeakPolarHBondContact O-CB 3.36Å; D78-N81 PolarHBondContact O-N 3.16Å; D78-N81 VanDerWaalsContact O-N 3.09Å; L79-N81 PolarHBondContact O-N 3.09Å; N81-L83 VanDerWaalsContact C-N 3.29Å; N81-L83 WeakPolarHBondContact O-CG 3.46Å; N81-L83 PolarHBondContact O-N 2.97Å
82	L	95.3	Very high	96.5	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.068	28%	0.279	C	S	.	.			trans	-77.9	75.9	178.8	-60.3	179.1	0	0	0	111.4	I56 L63 L79 K80 K84 V85 P103	I56-L82 HydrophobicContact CB-CD1 4Å; I56-L82 HydrophobicContact CB-CD2 4.49Å; I56-L82 HydrophobicContact CD1-CD1 4.31Å; I56-L82 HydrophobicContact CG2-CD1 3.57Å; I56-L82 HydrophobicContact CG2-CD2 4.24Å; L63-L82 HydrophobicContact CD1-CD1 4.33Å; L79-L82 HydrophobicContact CD1-CD1 3.64Å; L79-L82 HydrophobicContact CG-CD1 4.45Å; L79-L82 PolarHBondContact O-N 3.19Å; L79-L82 VanDerWaalsContact O-N 3.14Å; K80-L82 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 2.96Å; L82-V85 HydrophobicContact CB-CB 4.45Å; L82-V85 HydrophobicContact CB-CG2 3.65Å; L82-V85 HydrophobicContact CD1-CG2 4.13Å; L82-V85 PolarHBondContact O-N 2.64Å; L82-P103 HydrophobicContact CB-CB 4.28Å; L82-P103 HydrophobicContact CB-CG 4.24Å; L82-P103 WeakPolarHBondContact O-CB 3.44Å
83	L	95.6	Very high	96.5	Very high	103 Å²	103	52.8 Å²	52.8	54%	0.539	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.4	-168.1	-53.5	-176.3	0	0	0	115.1	N81 Y105	N81-L83 VanDerWaalsContact C-N 3.29Å; N81-L83 WeakPolarHBondContact O-CG 3.46Å; N81-L83 PolarHBondContact O-N 2.97Å; L83-Y105 HydrophobicContact CB-CD2 4.13Å; L83-Y105 HydrophobicContact CB-CE2 4.27Å; L83-Y105 HydrophobicContact CD2-CD2 4.29Å; L83-Y105 HydrophobicContact CD2-CE2 4.07Å; L83-Y105 WeakPolarHBondContact O-CD2 3.41Å
84	K	96.9	Very high	96.6	Very high	130 Å²	130	50.7 Å²	50.7	57%	0.565	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-6	-179	-69.3	-177.4	178.4	177.8	0	114	A60 T61 L82 E86	A60-K84 CarbonylContact O-C 3.33Å; A60-K84 WeakPolarHBondContact O-CB 3.5Å; T61-K84 WeakPolarHBondContact CA-O 3.26Å; L82-K84 PolarHBondContact O-N 2.96Å; K84-E86 PolarHBondContact O-N 2.87Å
85	V	98.2	Very high	96.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	S	.	.			trans	-73	119.1	-179.5	176	0	0	0	0	109.2	A60 L63 L82 I88 P103 Y105 V106	A60-V85 HydrophobicContact CB-CG2 3.96Å; A60-V85 VanDerWaalsContact O-CG2 3.3Å; A60-V85 WeakPolarHBondContact O-CG2 3.11Å; A60-V85 PolarHBondContact O-N 3.15Å; L63-V85 HydrophobicContact CD1-CG1 4.01Å; L63-V85 HydrophobicContact CD1-CG2 4.19Å; L63-V85 HydrophobicContact CD2-CG2 4.38Å; L63-V85 HydrophobicContact CG-CG1 3.92Å; L63-V85 HydrophobicContact CG-CG2 4.13Å; L82-V85 HydrophobicContact CB-CB 4.45Å; L82-V85 HydrophobicContact CB-CG2 3.65Å; L82-V85 HydrophobicContact CD1-CG2 4.13Å; L82-V85 PolarHBondContact O-N 2.64Å; V85-I88 HydrophobicContact CG1-CD1 3.95Å; V85-I88 HydrophobicContact CG1-CG1 3.62Å; V85-P103 HydrophobicContact CB-CB 4.01Å; V85-P103 HydrophobicContact CB-CG 3.98Å; V85-P103 HydrophobicContact CG1-CB 4.48Å; V85-P103 HydrophobicContact CG1-CG 4.08Å; V85-P103 HydrophobicContact CG2-CG 4.39Å; V85-Y105 CarbonylContact O-C 3.5Å; V85-V106 HydrophobicContact CG1-CG2 4.23Å
86	E	98.1	Very high	96.7	Very high	87 Å²	87	53.8 Å²	53.8	41%	0.407	27%	0.269	S	S	.	.			trans	-104.6	-27.8	177.6	-63.8	-169.2	136.3	0	0	111.8	T61 K84 K107 E108	T61-E86 PolarHBondContact O-N 3.46Å; K84-E86 PolarHBondContact O-N 2.87Å; E86-K107 PolarHBondContact O-N 2.82Å; E86-K107 IonicContact OE1-NZ 2.87Å; E86-K107 PolarHBondContact OE1-NZ 2.96Å; E86-E108 PolarHBondContact O-N 3Å
87	R	98.8	Very high	96.8	Very high	73 Å²	73	56.6 Å²	56.6	28%	0.275	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132	-172.1	-56.6	-175.2	-69.1	-175.8	-3	112.3	T61 T62 L63 E108	T61-R87 PolarHBondContact O-N 3.19Å; T62-R87 WeakPolarHBondContact CA-O 3.23Å; T62-R87 HydrophobicContact CG2-CB 4.11Å; T62-R87 PolarHBondContact OG1-NE 2.82Å; T62-R87 PolarHBondContact OG1-NH2 2.91Å; L63-R87 PolarHBondContact N-O 3.38Å; R87-E108 WeakPolarHBondContact CA-O 3.35Å; R87-E108 HydrophobicContact CB-CB 4.39Å; R87-E108 WeakPolarHBondContact CD-OE2 3.41Å; R87-E108 HydrophobicContact CG-CB 3.97Å; R87-E108 HydrophobicContact CG-CG 4.15Å; R87-E108 WeakPolarHBondContact CG-OE2 3.35Å
88	I	98.6	Very high	97	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.2	-179.9	-56.7	-177.2	0	0	0	110.4	L63 L65 V85 L90 L102 P103 V106 E108 L109 H110	L63-I88 HydrophobicContact CB-CG1 4.37Å; L63-I88 HydrophobicContact CB-CG2 4.46Å; L63-I88 HydrophobicContact CD1-CD1 4.25Å; L63-I88 HydrophobicContact CD1-CG1 4.25Å; L65-I88 HydrophobicContact CD1-CG2 4.39Å; V85-I88 HydrophobicContact CG1-CD1 3.95Å; V85-I88 HydrophobicContact CG1-CG1 3.62Å; I88-L90 HydrophobicContact CG2-CB 4.49Å; I88-L90 HydrophobicContact CG2-CD1 3.65Å; I88-L90 HydrophobicContact CG2-CG 3.72Å; I88-L102 HydrophobicContact CD1-CD2 4.17Å; I88-P103 VanDerWaalsContact CD1-CD 3.45Å; I88-P103 HydrophobicContact CD1-CG 3.82Å; I88-V106 HydrophobicContact CD1-CG1 4.41Å; I88-V106 HydrophobicContact CD1-CG2 3.46Å; I88-V106 VanDerWaalsContact CD1-CG2 3.46Å; I88-V106 HydrophobicContact CG1-CG1 4.39Å; I88-V106 HydrophobicContact CG1-CG2 3.99Å; I88-E108 PolarHBondContact N-O 3.04Å; I88-L109 HydrophobicContact CB-CD1 3.98Å; I88-L109 HydrophobicContact CG2-CD1 4.2Å; I88-H110 PolarHBondContact O-N 2.87Å
89	Y	98.8	Very high	97.3	Very high	40 Å²	40	49.8 Å²	49.8	16%	0.157	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	103.2	172.4	-60.8	-79.4	0	0	0	110.2	T62 L63 Y64 L65 Q66 Y91 H110	T62-Y89 HydrophobicContact CG2-CD2 4.22Å; T62-Y89 HydrophobicContact CG2-CE2 3.81Å; L63-Y89 PolarHBondContact O-N 3.03Å; Y64-Y89 AromaticContact CD1-CD2 3.38Å; Y64-Y89 HydrophobicContact CD1-CD2 3.38Å; Y64-Y89 AromaticContact CD1-CE2 3.91Å; Y64-Y89 HydrophobicContact CD1-CE2 3.91Å; Y64-Y89 HydrophobicContact CD1-CG 4.08Å; Y64-Y89 AromaticContact CE1-CD2 3.46Å; Y64-Y89 HydrophobicContact CE1-CD2 3.46Å; Y64-Y89 VanDerWaalsContact CE1-CD2 3.46Å; Y64-Y89 AromaticContact CE1-CE2 3.45Å; Y64-Y89 HydrophobicContact CE1-CE2 3.45Å; Y64-Y89 VanDerWaalsContact CE1-CE2 3.45Å; Y64-Y89 HydrophobicContact CE1-CG 4.38Å; Y64-Y89 HydrophobicContact CG-CD2 4.27Å; L65-Y89 CarbonylContact C-O 3.24Å; L65-Y89 VanDerWaalsContact C-O 3.22Å; L65-Y89 VanDerWaalsContact CA-O 3.22Å; L65-Y89 WeakPolarHBondContact CA-O 3.42Å; L65-Y89 VanDerWaalsContact CB-O 3.3Å; L65-Y89 WeakPolarHBondContact CB-O 2.97Å; L65-Y89 PolarHBondContact N-O 3.14Å; Q66-Y89 PolarHBondContact N-O 2.89Å; Y89-Y91 HydrophobicContact CD1-CD1 4.15Å; Y89-Y91 AromaticContact CD1-CE1 3.78Å; Y89-Y91 HydrophobicContact CD1-CE1 3.78Å; Y89-Y91 HydrophobicContact CG-CE1 4.18Å; Y89-H110 HydrophobicContact CD1-CB 3.96Å; Y89-H110 AromaticContact CD1-CD2 3.37Å; Y89-H110 WeakPolarHBondContact CD1-CD2 3.34Å; Y89-H110 AromaticContact CD1-CG 3.68Å; Y89-H110 AromaticContact CD1-NE2 3.96Å; Y89-H110 AromaticContact CE1-CD2 3.23Å; Y89-H110 WeakPolarHBondContact CE1-CD2 3.03Å; Y89-H110 AromaticContact CE1-CG 3.86Å; Y89-H110 AromaticContact CE1-NE2 3.33Å; Y89-H110 VanDerWaalsContact CE1-NE2 3.33Å; Y89-H110 WeakPolarHBondContact CE1-NE2 3.39Å
90	L	98.5	Very high	97.3	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.			trans	-118.4	16.6	178.4	-86.4	167.4	0	0	0	112.2	L65 I70 I88 N93 L95 L102 H110 L111 N114	L65-L90 HydrophobicContact CB-CD2 3.63Å; L65-L90 HydrophobicContact CB-CG 4.2Å; L65-L90 HydrophobicContact CD1-CD2 3.99Å; L65-L90 HydrophobicContact CD1-CG 4.3Å; L65-L90 HydrophobicContact CG-CD2 4.45Å; I70-L90 HydrophobicContact CD1-CD2 4.18Å; I88-L90 HydrophobicContact CG2-CB 4.49Å; I88-L90 HydrophobicContact CG2-CD1 3.65Å; I88-L90 HydrophobicContact CG2-CG 3.72Å; L90-N93 PolarHBondContact O-ND2 2.91Å; L90-L95 HydrophobicContact CB-CD1 4.49Å; L90-L102 HydrophobicContact CD1-CD2 4.16Å; L90-H110 CarbonylContact C-O 3.04Å; L90-H110 WeakPolarHBondContact CA-O 3.37Å; L90-H110 WeakPolarHBondContact CB-O 3.21Å; L90-H110 PolarHBondContact N-O 2.8Å; L90-L111 HydrophobicContact CB-CD2 3.7Å; L90-L111 HydrophobicContact CD1-CD2 4.1Å; L90-N114 PolarHBondContact O-ND2 2.76Å
91	Y	98.6	Very high	97.3	Very high	57 Å²	57	49.6 Å²	49.6	22%	0.224	24%	0.244	C	C	.	.			trans	-67.1	155.7	179.2	64.1	-95.3	0	0	0	113	Q66 N67 Y89 N93 H110 Q112	Q66-Y91 CarbonylContact C-O 3.15Å; Q66-Y91 WeakPolarHBondContact CA-O 3.48Å; Q66-Y91 HydrophobicContact CB-CD1 3.68Å; Q66-Y91 HydrophobicContact CB-CD2 3.6Å; Q66-Y91 HydrophobicContact CB-CE1 3.51Å; Q66-Y91 HydrophobicContact CB-CE2 3.42Å; Q66-Y91 VanDerWaalsContact CB-CE2 3.42Å; Q66-Y91 HydrophobicContact CB-CG 3.73Å; Q66-Y91 VanDerWaalsContact CB-O 3.3Å; Q66-Y91 WeakPolarHBondContact CB-O 3.27Å; Q66-Y91 HydrophobicContact CG-CD1 4.46Å; Q66-Y91 HydrophobicContact CG-CD2 4.31Å; Q66-Y91 HydrophobicContact CG-CE1 3.79Å; Q66-Y91 HydrophobicContact CG-CE2 3.6Å; Q66-Y91 WeakPolarHBondContact CG-OH 3.44Å; Q66-Y91 PolarHBondContact NE2-OH 3.33Å; N67-Y91 PolarHBondContact N-O 3.22Å; N67-Y91 VanDerWaalsContact N-O 3.09Å; Y89-Y91 HydrophobicContact CD1-CD1 4.15Å; Y89-Y91 AromaticContact CD1-CE1 3.78Å; Y89-Y91 HydrophobicContact CD1-CE1 3.78Å; Y89-Y91 HydrophobicContact CG-CE1 4.18Å; Y91-N93 PolarHBondContact O-ND2 3.39Å; Y91-H110 HydrophobicContact CD1-CB 4.25Å; Y91-H110 PolarHBondContact N-O 3.47Å; Y91-Q112 CarbonylContact C-O 3.25Å; Y91-Q112 WeakPolarHBondContact CA-O 3.5Å; Y91-Q112 WeakPolarHBondContact CB-O 3.47Å; Y91-Q112 HydrophobicContact CG-CG 4.4Å
92	H	98.4	Very high	97.5	Very high	94 Å²	94	44.8 Å²	44.8	44%	0.435	22%	0.218	S	C	.	.	S	Bend	trans	53.5	63.2	-178.6	-166.1	-159.5	0	0	0	111.8	N67 N68 Q112 E113	N67-H92 VanDerWaalsContact CA-O 3.25Å; N67-H92 WeakPolarHBondContact CA-O 3.35Å; N67-H92 PolarHBondContact N-O 3.24Å; N67-H92 VanDerWaalsContact N-O 3.17Å; N67-H92 WeakPolarHBondContact OD1-CB 3.11Å; N67-H92 PolarHBondContact OD1-ND1 3.31Å; N68-H92 PolarHBondContact N-O 3.4Å; N68-H92 VanDerWaalsContact N-O 3.14Å; H92-Q112 PolarHBondContact N-O 3.28Å; H92-E113 WeakPolarHBondContact CA-O 3.27Å; H92-E113 HydrophobicContact CB-CB 4.18Å; H92-E113 PolarHBondContact N-O 3.26Å
93	N	98.6	Very high	97.5	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.043	22%	0.215	C	C	.	.	S	Bend	trans	-133	-167.8	178.6	-89.6	-73.2	0	0	0	110.3	L65 N68 Q69 I70 L90 Y91 L95 E113 N114	L65-N93 PolarHBondContact O-ND2 3.24Å; N68-N93 WeakPolarHBondContact CA-OD1 3.17Å; N68-N93 WeakPolarHBondContact CB-OD1 3.39Å; N68-N93 PolarHBondContact O-OD1 3.06Å; Q69-N93 PolarHBondContact N-OD1 3.48Å; I70-N93 VanDerWaalsContact CB-OD1 3.29Å; I70-N93 WeakPolarHBondContact CB-OD1 3.5Å; I70-N93 WeakPolarHBondContact CG1-OD1 3.41Å; I70-N93 PolarHBondContact N-OD1 3Å; L90-N93 PolarHBondContact O-ND2 2.91Å; Y91-N93 PolarHBondContact O-ND2 3.39Å; N93-L95 HydrophobicContact CB-CG 4.42Å; N93-E113 PolarHBondContact N-O 3.32Å; N93-N114 VanDerWaalsContact CA-OD1 3.24Å; N93-N114 WeakPolarHBondContact CA-OD1 3.36Å; N93-N114 WeakPolarHBondContact CB-OD1 3.46Å; N93-N114 PolarHBondContact N-OD1 3.17Å; N93-N114 PolarHBondContact O-OD1 3.04Å
94	S	98.1	Very high	97.5	Very high	56 Å²	56	44 Å²	44	39%	0.392	21%	0.21	S	C	.	.			trans	-116	36.8	-178	-60	0	0	0	0	112.2	I70 N114	I70-S94 CarbonylContact O-C 3.15Å; I70-S94 VanDerWaalsContact O-C 3.23Å; I70-S94 WeakPolarHBondContact O-CA 3.35Å; I70-S94 PolarHBondContact O-N 2.85Å; S94-N114 PolarHBondContact N-OD1 3.17Å
95	L	98.2	Very high	97.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.			trans	-75.7	135.2	177.2	-57	172.9	0	0	0	110.7	I70 N72 I75 L90 N93 L111 N114 N115 I116	I70-L95 HydrophobicContact CG2-CD2 4.49Å; I70-L95 PolarHBondContact O-N 3.02Å; N72-L95 VanDerWaalsContact OD1-CA 3.27Å; N72-L95 WeakPolarHBondContact OD1-CA 3.37Å; I75-L95 HydrophobicContact CD1-CD2 4.12Å; L90-L95 HydrophobicContact CB-CD1 4.49Å; N93-L95 HydrophobicContact CB-CG 4.42Å; L95-L111 HydrophobicContact CD1-CD2 3.64Å; L95-N114 HydrophobicContact CB-CB 4.18Å; L95-N114 WeakPolarHBondContact CB-OD1 3.28Å; L95-N114 WeakPolarHBondContact CG-OD1 3.01Å; L95-N114 PolarHBondContact N-OD1 3.1Å; L95-N114 VanDerWaalsContact N-OD1 3.12Å; L95-N115 CarbonylContact O-C 3.59Å; L95-N115 WeakPolarHBondContact O-CA 3.39Å; L95-N115 WeakPolarHBondContact O-CB 3.39Å; L95-N115 PolarHBondContact O-N 3.18Å; L95-I116 HydrophobicContact CB-CD1 4.4Å; L95-I116 HydrophobicContact CB-CG1 3.99Å; L95-I116 PolarHBondContact O-N 2.81Å
96	D	97.1	Very high	97.6	Very high	79 Å²	79	42.1 Å²	42.1	42%	0.422	20%	0.2	S	C	.	.			trans	-112.7	-19	-179.9	61.5	-8.1	0	0	0	114	N72 N115 I116 R117	N72-D96 PolarHBondContact OD1-N 3.33Å; N72-D96 PolarHBondContact OD1-OD1 3.25Å; D96-N115 WeakPolarHBondContact CA-O 3.26Å; D96-I116 CarbonylContact O-C 3.59Å; D96-I116 WeakPolarHBondContact O-CA 3.36Å; D96-R117 PolarHBondContact O-N 2.01Å
97	E	97.4	Very high	97.6	Very high	91 Å²	91	41.4 Å²	41.4	43%	0.425	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-133.2	170	171.9	66	-176.8	-171.7	0	0	111.2	N72	N72-E97 HydrophobicContact CB-CG 4.04Å; N72-E97 VanDerWaalsContact CG-CG 3.43Å; N72-E97 WeakPolarHBondContact ND2-CG 2.98Å; N72-E97 PolarHBondContact ND2-O 3.21Å; N72-E97 PolarHBondContact OD1-N 3.4Å
98	F	98.1	Very high	97.6	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	20%	0.195	C	C	.	.			trans	-65.7	133.2	176.1	-162	-78.8	0	0	0	111.1	L109 L111 T118 I119 L124 I127 L133 L135	F98-L109 HydrophobicContact CE1-CD2 4.3Å; F98-L109 HydrophobicContact CZ-CD2 3.72Å; F98-L111 HydrophobicContact CD2-CD1 4.21Å; F98-L111 HydrophobicContact CE2-CD1 3.82Å; F98-L111 HydrophobicContact CZ-CD1 4.17Å; F98-T118 PolarHBondContact N-O 2.56Å; F98-I119 HydrophobicContact CD2-CG1 4.34Å; F98-I119 HydrophobicContact CD2-CG2 4.21Å; F98-L124 HydrophobicContact CE1-CD2 3.94Å; F98-L124 HydrophobicContact CE2-CD2 3.89Å; F98-L124 HydrophobicContact CZ-CD2 3.5Å; F98-L124 VanDerWaalsContact CZ-CD2 3.5Å; F98-L124 HydrophobicContact CZ-CG 4.45Å; F98-I127 HydrophobicContact CE1-CD1 3.87Å; F98-I127 HydrophobicContact CZ-CD1 3.96Å; F98-L133 HydrophobicContact CE2-CD1 4.02Å; F98-L133 HydrophobicContact CE2-CD2 4.09Å; F98-L133 HydrophobicContact CZ-CD1 4.31Å; F98-L135 HydrophobicContact CD2-CD2 4.5Å
99	P	97.2	Very high	97.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.013	20%	0.195	C	C	.	.			trans	-70.8	131.3	-176.9	29.2	-38.1	0	0	0	113.5	I75 L102 L111	I75-P99 HydrophobicContact CD1-CB 3.35Å; P99-L102 HydrophobicContact CB-CD1 4.25Å; P99-L102 HydrophobicContact CB-CD2 4.16Å; P99-L102 HydrophobicContact CB-CG 4.05Å; P99-L102 HydrophobicContact CG-CD1 3.65Å; P99-L102 HydrophobicContact CG-CD2 4.25Å; P99-L102 HydrophobicContact CG-CG 4.02Å; P99-L111 HydrophobicContact CG-CD1 4.17Å; P99-L111 HydrophobicContact CG-CD2 4.05Å
100	T	93.8	Very high	97.6	Very high	52 Å²	52	39.6 Å²	39.6	32%	0.319	19%	0.191	S	C	.	.	S	Bend	trans	-94.3	-36	-173.4	50.5	0	0	0	0	115	L102 S123	T100-L102 PolarHBondContact O-N 3.22Å; T100-S123 VanDerWaalsContact CG2-OG 3.32Å; T100-S123 WeakPolarHBondContact CG2-OG 3.09Å
101	N	95.4	Very high	97.6	Very high	50 Å²	50	39.6 Å²	39.6	27%	0.267	19%	0.191	S	C	.	.	S	Bend	trans	-88.2	31.1	-173.2	-69.3	-42.3	0	0	0	113.8	I75 K80	I75-N101 HydrophobicContact CG2-CB 3.9Å; I75-N101 PolarHBondContact O-ND2 2.88Å; K80-N101 PolarHBondContact N-O 3.38Å
102	L	97.2	Very high	97.6	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	19%	0.187	C	C	.	.			trans	-73.6	154.2	-178.9	-66.8	-176.8	0	0	0	112.4	L79 I88 L90 P99 T100 K104 L109 I127	L79-L102 HydrophobicContact CD2-CD2 4.36Å; I88-L102 HydrophobicContact CD1-CD2 4.17Å; L90-L102 HydrophobicContact CD1-CD2 4.16Å; P99-L102 HydrophobicContact CB-CD1 4.25Å; P99-L102 HydrophobicContact CB-CD2 4.16Å; P99-L102 HydrophobicContact CB-CG 4.05Å; P99-L102 HydrophobicContact CG-CD1 3.65Å; P99-L102 HydrophobicContact CG-CD2 4.25Å; P99-L102 HydrophobicContact CG-CG 4.02Å; T100-L102 PolarHBondContact O-N 3.22Å; L102-K104 PolarHBondContact O-N 2.98Å; L102-L109 HydrophobicContact CD1-CD1 3.92Å; L102-L109 HydrophobicContact CD1-CD2 3.49Å; L102-L109 VanDerWaalsContact CD1-CD2 3.49Å; L102-L109 HydrophobicContact CD1-CG 4.38Å; L102-I127 HydrophobicContact CB-CG2 3.85Å; L102-I127 HydrophobicContact CD1-CD1 4.12Å
103	P	97.1	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.			trans	-58.6	134.6	172.8	-16	26.8	0	0	0	112.4	L79 L82 V85 I88 Y105 V106 I127	L79-P103 HydrophobicContact CG-CG 4.21Å; L79-P103 WeakPolarHBondContact O-CG 3.41Å; L82-P103 HydrophobicContact CB-CB 4.28Å; L82-P103 HydrophobicContact CB-CG 4.24Å; L82-P103 WeakPolarHBondContact O-CB 3.44Å; V85-P103 HydrophobicContact CB-CB 4.01Å; V85-P103 HydrophobicContact CB-CG 3.98Å; V85-P103 HydrophobicContact CG1-CB 4.48Å; V85-P103 HydrophobicContact CG1-CG 4.08Å; V85-P103 HydrophobicContact CG2-CG 4.39Å; I88-P103 VanDerWaalsContact CD1-CD 3.45Å; I88-P103 HydrophobicContact CD1-CG 3.82Å; P103-Y105 VanDerWaalsContact C-N 3.31Å; P103-Y105 PolarHBondContact O-N 3.1Å; P103-V106 HydrophobicContact CB-CG2 3.88Å; P103-V106 HydrophobicContact CG-CG2 4.1Å; P103-V106 WeakPolarHBondContact O-CG2 3.22Å; P103-V106 PolarHBondContact O-N 3.43Å; P103-I127 WeakPolarHBondContact O-CG2 3.37Å
104	K	95.4	Very high	97.6	Very high	99 Å²	99	38.3 Å²	38.3	43%	0.43	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.8	-168.3	-174.8	175.5	-179	-179.4	0	115.5	L102	L102-K104 PolarHBondContact O-N 2.98Å
105	Y	97.4	Very high	97.5	Very high	91 Å²	91	39.3 Å²	39.3	36%	0.357	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	19	-172.2	-62.3	-72.4	0	0	0	113.6	L83 V85 P103 K107 Y129	L83-Y105 HydrophobicContact CB-CD2 4.13Å; L83-Y105 HydrophobicContact CB-CE2 4.27Å; L83-Y105 HydrophobicContact CD2-CD2 4.29Å; L83-Y105 HydrophobicContact CD2-CE2 4.07Å; L83-Y105 WeakPolarHBondContact O-CD2 3.41Å; V85-Y105 CarbonylContact O-C 3.5Å; P103-Y105 VanDerWaalsContact C-N 3.31Å; P103-Y105 PolarHBondContact O-N 3.1Å; Y105-K107 PolarHBondContact O-N 3.39Å; Y105-Y129 AromaticContact CD1-CD2 3.49Å; Y105-Y129 HydrophobicContact CD1-CD2 3.49Å; Y105-Y129 VanDerWaalsContact CD1-CD2 3.49Å; Y105-Y129 AromaticContact CD1-CE2 3.5Å; Y105-Y129 HydrophobicContact CD1-CE2 3.5Å; Y105-Y129 HydrophobicContact CD1-CG 4.21Å; Y105-Y129 AromaticContact CE1-CD2 3.91Å; Y105-Y129 HydrophobicContact CE1-CD2 3.91Å; Y105-Y129 AromaticContact CE1-CE2 3.39Å; Y105-Y129 HydrophobicContact CE1-CE2 3.39Å; Y105-Y129 AromaticContact CE1-CZ 3.92Å; Y105-Y129 HydrophobicContact CG-CD2 4.49Å
106	V	98.3	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.			trans	-61.2	134.8	175	174	0	0	0	0	109.9	V85 I88 P103 E108 L109 Y129 L130	V85-V106 HydrophobicContact CG1-CG2 4.23Å; I88-V106 HydrophobicContact CD1-CG1 4.41Å; I88-V106 HydrophobicContact CD1-CG2 3.46Å; I88-V106 VanDerWaalsContact CD1-CG2 3.46Å; I88-V106 HydrophobicContact CG1-CG1 4.39Å; I88-V106 HydrophobicContact CG1-CG2 3.99Å; P103-V106 HydrophobicContact CB-CG2 3.88Å; P103-V106 HydrophobicContact CG-CG2 4.1Å; P103-V106 WeakPolarHBondContact O-CG2 3.22Å; P103-V106 PolarHBondContact O-N 3.43Å; V106-E108 WeakPolarHBondContact CG1-O 3.46Å; V106-L109 HydrophobicContact CG1-CB 4.27Å; V106-Y129 CarbonylContact O-C 3.11Å; V106-L130 HydrophobicContact CG1-CD1 4.09Å; V106-L130 WeakPolarHBondContact O-CA 3.46Å; V106-L130 PolarHBondContact O-N 2.67Å
107	K	98.4	Very high	97.5	Very high	72 Å²	72	42 Å²	42	31%	0.313	19%	0.193	S	C	.	.			trans	-108.4	-39.6	177.1	-67.9	176	177.7	161.2	0	111.9	E86 Y105 L130 E131 E132	E86-K107 PolarHBondContact O-N 2.82Å; E86-K107 IonicContact OE1-NZ 2.87Å; E86-K107 PolarHBondContact OE1-NZ 2.96Å; Y105-K107 PolarHBondContact O-N 3.39Å; K107-L130 WeakPolarHBondContact O-CD1 3.35Å; K107-E131 HydrophobicContact CB-CG 4.36Å; K107-E131 HydrophobicContact CG-CG 4.44Å; K107-E131 WeakPolarHBondContact O-CA 3.22Å; K107-E131 PolarHBondContact O-N 2.72Å; K107-E132 PolarHBondContact O-N 2.85Å
108	E	98.7	Very high	97.5	Very high	58 Å²	58	40.6 Å²	40.6	27%	0.271	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.6	-179.8	-56.1	171.7	-163.9	0	0	110.2	E86 R87 I88 V106 E132	E86-E108 PolarHBondContact O-N 3Å; R87-E108 WeakPolarHBondContact CA-O 3.35Å; R87-E108 HydrophobicContact CB-CB 4.39Å; R87-E108 WeakPolarHBondContact CD-OE2 3.41Å; R87-E108 HydrophobicContact CG-CB 3.97Å; R87-E108 HydrophobicContact CG-CG 4.15Å; R87-E108 WeakPolarHBondContact CG-OE2 3.35Å; I88-E108 PolarHBondContact N-O 3.04Å; V106-E108 WeakPolarHBondContact CG1-O 3.46Å; E108-E132 HydrophobicContact CG-CB 4.26Å
109	L	98.8	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.5	-178.8	-178.5	57.9	0	0	0	110.7	I88 F98 L102 V106 L111 I127 L130 E132 L133 H134	I88-L109 HydrophobicContact CB-CD1 3.98Å; I88-L109 HydrophobicContact CG2-CD1 4.2Å; F98-L109 HydrophobicContact CE1-CD2 4.3Å; F98-L109 HydrophobicContact CZ-CD2 3.72Å; L102-L109 HydrophobicContact CD1-CD1 3.92Å; L102-L109 HydrophobicContact CD1-CD2 3.49Å; L102-L109 VanDerWaalsContact CD1-CD2 3.49Å; L102-L109 HydrophobicContact CD1-CG 4.38Å; V106-L109 HydrophobicContact CG1-CB 4.27Å; L109-L111 HydrophobicContact CD1-CD1 4.42Å; L109-L111 HydrophobicContact CD1-CD2 4.21Å; L109-L111 HydrophobicContact CD1-CG 4.09Å; L109-L111 HydrophobicContact CD2-CD1 3.78Å; L109-L111 HydrophobicContact CD2-CG 4.32Å; L109-L111 HydrophobicContact CG-CD1 3.89Å; L109-L111 HydrophobicContact CG-CG 3.89Å; L109-I127 HydrophobicContact CD2-CD1 3.88Å; L109-L130 HydrophobicContact CB-CD1 3.6Å; L109-E132 PolarHBondContact N-O 3.14Å; L109-L133 HydrophobicContact CB-CD1 4.19Å; L109-L133 HydrophobicContact CD2-CD1 4.01Å; L109-L133 HydrophobicContact CG-CD1 4.13Å; L109-H134 PolarHBondContact O-N 2.93Å
110	H	98.8	Very high	97.4	Very high	18 Å²	18	42.4 Å²	42.4	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.9	179.2	-65	-89.4	0	0	0	110.7	I88 Y89 L90 Y91 Q112 H134	I88-H110 PolarHBondContact O-N 2.87Å; Y89-H110 HydrophobicContact CD1-CB 3.96Å; Y89-H110 AromaticContact CD1-CD2 3.37Å; Y89-H110 WeakPolarHBondContact CD1-CD2 3.34Å; Y89-H110 AromaticContact CD1-CG 3.68Å; Y89-H110 AromaticContact CD1-NE2 3.96Å; Y89-H110 AromaticContact CE1-CD2 3.23Å; Y89-H110 WeakPolarHBondContact CE1-CD2 3.03Å; Y89-H110 AromaticContact CE1-CG 3.86Å; Y89-H110 AromaticContact CE1-NE2 3.33Å; Y89-H110 VanDerWaalsContact CE1-NE2 3.33Å; Y89-H110 WeakPolarHBondContact CE1-NE2 3.39Å; L90-H110 CarbonylContact C-O 3.04Å; L90-H110 WeakPolarHBondContact CA-O 3.37Å; L90-H110 WeakPolarHBondContact CB-O 3.21Å; L90-H110 PolarHBondContact N-O 2.8Å; Y91-H110 HydrophobicContact CD1-CB 4.25Å; Y91-H110 PolarHBondContact N-O 3.47Å; H110-Q112 VanDerWaalsContact CB-OE1 3.27Å; H110-H134 AromaticContact CE1-CD2 3.49Å; H110-H134 PolarHBondContact CE1-CD2 3.4Å; H110-H134 VanDerWaalsContact CE1-CD2 3.49Å; H110-H134 AromaticContact CE1-CE1 3.58Å; H110-H134 AromaticContact CE1-CG 3.96Å; H110-H134 AromaticContact CE1-ND1 3.98Å; H110-H134 AromaticContact CE1-NE2 3.24Å; H110-H134 PolarHBondContact CE1-NE2 3.49Å; H110-H134 AromaticContact ND1-CD2 3.33Å; H110-H134 PolarHBondContact ND1-CD2 2.78Å; H110-H134 VanDerWaalsContact ND1-CD2 3.33Å; H110-H134 AromaticContact ND1-CE1 3.7Å; H110-H134 AromaticContact ND1-CG 3.42Å; H110-H134 AromaticContact ND1-ND1 3.62Å; H110-H134 AromaticContact ND1-NE2 3.53Å
111	L	98.6	Very high	97.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.202	C	C	.	.			trans	-123.3	15.2	-177.9	-65.7	169.4	0	0	0	112.7	L90 L95 F98 P99 L109 N114 I116 L133 H134 L135 N138	L90-L111 HydrophobicContact CB-CD2 3.7Å; L90-L111 HydrophobicContact CD1-CD2 4.1Å; L95-L111 HydrophobicContact CD1-CD2 3.64Å; F98-L111 HydrophobicContact CD2-CD1 4.21Å; F98-L111 HydrophobicContact CE2-CD1 3.82Å; F98-L111 HydrophobicContact CZ-CD1 4.17Å; P99-L111 HydrophobicContact CG-CD1 4.17Å; P99-L111 HydrophobicContact CG-CD2 4.05Å; L109-L111 HydrophobicContact CD1-CD1 4.42Å; L109-L111 HydrophobicContact CD1-CD2 4.21Å; L109-L111 HydrophobicContact CD1-CG 4.09Å; L109-L111 HydrophobicContact CD2-CD1 3.78Å; L109-L111 HydrophobicContact CD2-CG 4.32Å; L109-L111 HydrophobicContact CG-CD1 3.89Å; L109-L111 HydrophobicContact CG-CG 3.89Å; L111-N114 PolarHBondContact O-ND2 3.37Å; L111-I116 HydrophobicContact CB-CD1 3.85Å; L111-I116 HydrophobicContact CD1-CD1 4.06Å; L111-I116 HydrophobicContact CD2-CD1 4.43Å; L111-I116 HydrophobicContact CG-CD1 4.35Å; L111-L133 HydrophobicContact CD1-CD1 4.2Å; L111-H134 CarbonylContact C-O 3.23Å; L111-H134 WeakPolarHBondContact CA-O 3.12Å; L111-H134 WeakPolarHBondContact CB-O 3.3Å; L111-H134 PolarHBondContact N-O 3.2Å; L111-L135 HydrophobicContact CB-CD2 3.9Å; L111-L135 HydrophobicContact CD1-CD2 3.91Å; L111-N138 PolarHBondContact O-ND2 2.85Å
112	Q	98.3	Very high	97.6	Very high	31 Å²	31	45.3 Å²	45.3	15%	0.145	21%	0.21	C	C	.	.			trans	-63.8	157.8	-177.9	67.2	-80.5	13.9	0	0	113.3	Y91 H92 H110 N114 D136	Y91-Q112 CarbonylContact C-O 3.25Å; Y91-Q112 WeakPolarHBondContact CA-O 3.5Å; Y91-Q112 WeakPolarHBondContact CB-O 3.47Å; Y91-Q112 HydrophobicContact CG-CG 4.4Å; H92-Q112 PolarHBondContact N-O 3.28Å; H110-Q112 VanDerWaalsContact CB-OE1 3.27Å; Q112-N114 PolarHBondContact O-N 3.33Å; Q112-N114 PolarHBondContact O-ND2 3.05Å; Q112-D136 CarbonylContact C-O 3.51Å; Q112-D136 WeakPolarHBondContact CA-O 3.49Å; Q112-D136 HydrophobicContact CB-CB 3.85Å; Q112-D136 VanDerWaalsContact CB-O 3.28Å; Q112-D136 WeakPolarHBondContact CB-O 3.37Å
113	E	98.3	Very high	97.5	Very high	94 Å²	94	45.4 Å²	45.4	44%	0.439	21%	0.211	S	C	.	.	S	Bend	trans	57.6	45.5	-179.5	-57.9	177	-120.3	0	0	112.7	H92 N93 D136 D137	H92-E113 WeakPolarHBondContact CA-O 3.27Å; H92-E113 HydrophobicContact CB-CB 4.18Å; H92-E113 PolarHBondContact N-O 3.26Å; N93-E113 PolarHBondContact N-O 3.32Å; E113-D136 PolarHBondContact N-O 3.15Å; E113-D137 WeakPolarHBondContact CA-O 3.42Å; E113-D137 HydrophobicContact CG-CB 4.01Å; E113-D137 PolarHBondContact N-O 3.15Å
114	N	98.4	Very high	97.5	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	21%	0.211	C	C	.	.	S	Bend	trans	-119.8	-171.4	172.4	-83.4	-84.2	0	0	0	109.7	L90 N93 S94 L95 L111 Q112 I116 D137 N138	L90-N114 PolarHBondContact O-ND2 2.76Å; N93-N114 VanDerWaalsContact CA-OD1 3.24Å; N93-N114 WeakPolarHBondContact CA-OD1 3.36Å; N93-N114 WeakPolarHBondContact CB-OD1 3.46Å; N93-N114 PolarHBondContact N-OD1 3.17Å; N93-N114 PolarHBondContact O-OD1 3.04Å; S94-N114 PolarHBondContact N-OD1 3.17Å; L95-N114 HydrophobicContact CB-CB 4.18Å; L95-N114 WeakPolarHBondContact CB-OD1 3.28Å; L95-N114 WeakPolarHBondContact CG-OD1 3.01Å; L95-N114 PolarHBondContact N-OD1 3.1Å; L95-N114 VanDerWaalsContact N-OD1 3.12Å; L111-N114 PolarHBondContact O-ND2 3.37Å; Q112-N114 PolarHBondContact O-N 3.33Å; Q112-N114 PolarHBondContact O-ND2 3.05Å; N114-I116 HydrophobicContact CB-CD1 4.26Å; N114-I116 HydrophobicContact CB-CG1 4.04Å; N114-D137 PolarHBondContact N-O 3.32Å; N114-N138 WeakPolarHBondContact CA-OD1 3.23Å; N114-N138 WeakPolarHBondContact CB-OD1 3.4Å; N114-N138 PolarHBondContact O-OD1 2.04Å
115	N	97.8	Very high	97.5	Very high	78 Å²	78	42 Å²	42	42%	0.417	20%	0.199	S	C	.	.			trans	-111.4	27.7	177	-62.1	-74.7	0	0	0	111.9	L95 D96 R117	L95-N115 CarbonylContact O-C 3.59Å; L95-N115 WeakPolarHBondContact O-CA 3.39Å; L95-N115 WeakPolarHBondContact O-CB 3.39Å; L95-N115 PolarHBondContact O-N 3.18Å; D96-N115 WeakPolarHBondContact CA-O 3.26Å; N115-R117 PolarHBondContact O-N 2.86Å
116	I	98.3	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.			trans	-63.5	126.7	-173.2	-61.2	170.2	0	0	0	109.5	L95 D96 L111 N114 L135 N138 S139 V140	L95-I116 HydrophobicContact CB-CD1 4.4Å; L95-I116 HydrophobicContact CB-CG1 3.99Å; L95-I116 PolarHBondContact O-N 2.81Å; D96-I116 CarbonylContact O-C 3.59Å; D96-I116 WeakPolarHBondContact O-CA 3.36Å; L111-I116 HydrophobicContact CB-CD1 3.85Å; L111-I116 HydrophobicContact CD1-CD1 4.06Å; L111-I116 HydrophobicContact CD2-CD1 4.43Å; L111-I116 HydrophobicContact CG-CD1 4.35Å; N114-I116 HydrophobicContact CB-CD1 4.26Å; N114-I116 HydrophobicContact CB-CG1 4.04Å; I116-L135 HydrophobicContact CD1-CD2 3.8Å; I116-N138 HydrophobicContact CB-CB 4.32Å; I116-N138 VanDerWaalsContact CB-OD1 3.23Å; I116-N138 WeakPolarHBondContact CB-OD1 3.27Å; I116-N138 WeakPolarHBondContact CG1-OD1 3.4Å; I116-N138 PolarHBondContact N-OD1 3.09Å; I116-S139 CarbonylContact O-C 3.43Å; I116-S139 WeakPolarHBondContact O-CA 3.2Å; I116-S139 PolarHBondContact O-N 3.26Å; I116-V140 HydrophobicContact CG2-CG2 4.25Å; I116-V140 WeakPolarHBondContact O-CG2 3.4Å; I116-V140 PolarHBondContact O-N 3.11Å
117	R	96.6	Very high	97.4	Very high	134 Å²	134	41.9 Å²	41.9	51%	0.506	20%	0.201	S	C	.	.			trans	-109.6	-53.3	174.1	-61.7	179.2	-170.9	111.3	4	110.7	D96 N115 S144	D96-R117 PolarHBondContact O-N 2.01Å; N115-R117 PolarHBondContact O-N 2.86Å; R117-S144 WeakPolarHBondContact O-CB 3.2Å; R117-S144 PolarHBondContact O-OG 2.89Å
118	T	96.7	Very high	97.3	Very high	63 Å²	63	39.9 Å²	39.9	39%	0.387	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-98.4	131.7	-168	-48.1	0	0	0	0	111.7	F98 T120 S144	F98-T118 PolarHBondContact N-O 2.56Å; T118-T120 HydrophobicContact CG2-CG2 3.9Å; T118-S144 WeakPolarHBondContact CA-O 3.46Å
119	I	97.3	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-123.3	118.3	172.6	-54.7	-179.2	0	0	0	107.9	F98 L124 L135 V140 S144 I145 E146 A149	F98-I119 HydrophobicContact CD2-CG1 4.34Å; F98-I119 HydrophobicContact CD2-CG2 4.21Å; I119-L124 HydrophobicContact CG2-CD1 3.63Å; I119-L124 HydrophobicContact CG2-CG 4.2Å; I119-L135 HydrophobicContact CD1-CD1 3.61Å; I119-V140 HydrophobicContact CD1-CG1 3.98Å; I119-V140 HydrophobicContact CD1-CG2 4.16Å; I119-S144 PolarHBondContact N-O 3.45Å; I119-I145 HydrophobicContact CB-CG1 4.3Å; I119-I145 HydrophobicContact CD1-CG1 4.17Å; I119-I145 HydrophobicContact CG1-CG1 4.45Å; I119-E146 PolarHBondContact O-N 3.15Å; I119-A149 HydrophobicContact CG2-CB 4.38Å
120	T	96.6	Very high	97.2	Very high	41 Å²	41	41.3 Å²	41.3	25%	0.252	20%	0.199	S	C	.	.			trans	-110.6	153.2	-177.1	61.8	0	0	0	0	111.8	T118 D122 S123 L124 E146	T118-T120 HydrophobicContact CG2-CG2 3.9Å; T120-D122 VanDerWaalsContact C-N 3.3Å; T120-D122 PolarHBondContact O-N 3.18Å; T120-S123 PolarHBondContact O-N 3.16Å; T120-S123 PolarHBondContact OG1-N 3Å; T120-S123 PolarHBondContact OG1-OG 3.34Å; T120-L124 PolarHBondContact O-N 3.05Å; T120-E146 WeakPolarHBondContact CA-OE2 3.2Å; T120-E146 VanDerWaalsContact CB-OE2 3.22Å; T120-E146 WeakPolarHBondContact CB-OE2 3.22Å
121	Y	96.4	Very high	97.2	Very high	81 Å²	81	43.6 Å²	43.6	32%	0.318	21%	0.209	S	C	.	.	H	α-helix	trans	-57.7	-43.2	171.4	168.3	-98.5	0	0	0	111.3	S123 L124 S125 E146 R151 D152	Y121-S123 VanDerWaalsContact C-N 3.28Å; Y121-S123 PolarHBondContact O-N 2.89Å; Y121-L124 PolarHBondContact O-N 3.14Å; Y121-S125 VanDerWaalsContact O-CB 3.26Å; Y121-S125 WeakPolarHBondContact O-CB 3.48Å; Y121-S125 PolarHBondContact O-N 2.84Å; Y121-S125 PolarHBondContact O-OG 3.19Å; Y121-E146 PolarHBondContact N-OE2 3Å; Y121-R151 HydrophobicContact CD2-CB 4.35Å; Y121-R151 HydrophobicContact CE2-CB 4.13Å; Y121-D152 HydrophobicContact CE2-CB 4.46Å; Y121-D152 PolarHBondContact OH-OD2 3.25Å
122	D	95.6	Very high	97.2	Very high	81 Å²	81	45.7 Å²	45.7	43%	0.433	22%	0.219	S	C	.	.	H	α-helix	trans	-58.3	-42.2	-178.5	-175.3	69	0	0	0	111.6	T120 S125 K126	T120-D122 VanDerWaalsContact C-N 3.3Å; T120-D122 PolarHBondContact O-N 3.18Å; D122-S125 PolarHBondContact O-OG 3.41Å; D122-K126 WeakPolarHBondContact O-CE 3.38Å; D122-K126 WeakPolarHBondContact O-CG 3.18Å; D122-K126 WeakPolarHBondContact OD1-CE 3.31Å; D122-K126 IonicContact OD1-NZ 2.77Å; D122-K126 PolarHBondContact OD1-NZ 2.82Å; D122-K126 IonicContact OD2-NZ 2.83Å
123	S	95.9	Very high	97.3	Very high	5 Å²	5	44.2 Å²	44.2	4%	0.035	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-48.4	-180	-49.2	0	0	0	0	112.3	T100 T120 Y121 S125 K126	T100-S123 VanDerWaalsContact CG2-OG 3.32Å; T100-S123 WeakPolarHBondContact CG2-OG 3.09Å; T120-S123 PolarHBondContact O-N 3.16Å; T120-S123 PolarHBondContact OG1-N 3Å; T120-S123 PolarHBondContact OG1-OG 3.34Å; Y121-S123 VanDerWaalsContact C-N 3.28Å; Y121-S123 PolarHBondContact O-N 2.89Å; S123-S125 PolarHBondContact O-N 2.83Å; S123-K126 PolarHBondContact O-N 2.78Å
124	L	96.7	Very high	97.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.4	-31	-179.4	-73.1	171.6	0	0	0	112.5	F98 I119 T120 Y121 K126 I127 L133 A149 F150	F98-L124 HydrophobicContact CE1-CD2 3.94Å; F98-L124 HydrophobicContact CE2-CD2 3.89Å; F98-L124 HydrophobicContact CZ-CD2 3.5Å; F98-L124 VanDerWaalsContact CZ-CD2 3.5Å; F98-L124 HydrophobicContact CZ-CG 4.45Å; I119-L124 HydrophobicContact CG2-CD1 3.63Å; I119-L124 HydrophobicContact CG2-CG 4.2Å; T120-L124 PolarHBondContact O-N 3.05Å; Y121-L124 PolarHBondContact O-N 3.14Å; L124-K126 PolarHBondContact O-N 3.33Å; L124-I127 CarbonylContact O-C 3.09Å; L124-I127 PolarHBondContact O-N 2.79Å; L124-I127 VanDerWaalsContact O-N 3.13Å; L124-L133 HydrophobicContact CD2-CD2 4.46Å; L124-A149 WeakPolarHBondContact CB-O 3.22Å; L124-A149 HydrophobicContact CD1-CB 4.06Å; L124-A149 WeakPolarHBondContact CD1-O 3.46Å; L124-F150 HydrophobicContact CD1-CD1 3.6Å; L124-F150 HydrophobicContact CD1-CE1 3.64Å; L124-F150 HydrophobicContact CD1-CG 4.14Å; L124-F150 HydrophobicContact CD1-CZ 4.22Å
125	S	96.1	Very high	97.3	Very high	27 Å²	27	40.6 Å²	40.6	19%	0.189	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-21.4	175.9	76.5	0	0	0	0	113.2	Y121 D122 S123 I127	Y121-S125 VanDerWaalsContact O-CB 3.26Å; Y121-S125 WeakPolarHBondContact O-CB 3.48Å; Y121-S125 PolarHBondContact O-N 2.84Å; Y121-S125 PolarHBondContact O-OG 3.19Å; D122-S125 PolarHBondContact O-OG 3.41Å; S123-S125 PolarHBondContact O-N 2.83Å; S125-I127 VanDerWaalsContact C-N 3.33Å
126	K	95.9	Very high	97.3	Very high	88 Å²	88	37.7 Å²	37.7	38%	0.383	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-22	177.3	-53.6	-44.1	176.6	-152.2	0	113.2	D122 S123 L124 P128	D122-K126 WeakPolarHBondContact O-CE 3.38Å; D122-K126 WeakPolarHBondContact O-CG 3.18Å; D122-K126 WeakPolarHBondContact OD1-CE 3.31Å; D122-K126 IonicContact OD1-NZ 2.77Å; D122-K126 PolarHBondContact OD1-NZ 2.82Å; D122-K126 IonicContact OD2-NZ 2.83Å; S123-K126 PolarHBondContact O-N 2.78Å; L124-K126 PolarHBondContact O-N 3.33Å; K126-P128 WeakPolarHBondContact O-CD 3.13Å
127	I	97.2	Very high	97.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	19%	0.193	C	C	.	.			trans	-123.7	60.3	-177.7	53.5	171.3	0	0	0	111.5	F98 L102 P103 L109 L124 S125 Y129 L130	F98-I127 HydrophobicContact CE1-CD1 3.87Å; F98-I127 HydrophobicContact CZ-CD1 3.96Å; L102-I127 HydrophobicContact CB-CG2 3.85Å; L102-I127 HydrophobicContact CD1-CD1 4.12Å; P103-I127 WeakPolarHBondContact O-CG2 3.37Å; L109-I127 HydrophobicContact CD2-CD1 3.88Å; L124-I127 CarbonylContact O-C 3.09Å; L124-I127 PolarHBondContact O-N 2.79Å; L124-I127 VanDerWaalsContact O-N 3.13Å; S125-I127 VanDerWaalsContact C-N 3.33Å; I127-Y129 PolarHBondContact O-N 2.55Å; I127-Y129 VanDerWaalsContact O-N 3.13Å; I127-L130 HydrophobicContact CD1-CD2 3.99Å; I127-L130 WeakPolarHBondContact O-CB 3.26Å; I127-L130 PolarHBondContact O-N 3.05Å
128	P	96.6	Very high	97.4	Very high	30 Å²	30	34.1 Å²	34.1	20%	0.195	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.4	-171.6	29.7	-36.6	0	0	0	113.8	K126 L130 Y155	K126-P128 WeakPolarHBondContact O-CD 3.13Å; P128-L130 VanDerWaalsContact C-N 3.32Å; P128-Y155 WeakPolarHBondContact O-CD2 3.45Å
129	Y	97.8	Very high	97.4	Very high	88 Å²	88	32.5 Å²	32.5	35%	0.345	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	7.1	-179.4	-61.6	-78.5	0	0	0	113.9	Y105 V106 I127 E131 Y155	Y105-Y129 AromaticContact CD1-CD2 3.49Å; Y105-Y129 HydrophobicContact CD1-CD2 3.49Å; Y105-Y129 VanDerWaalsContact CD1-CD2 3.49Å; Y105-Y129 AromaticContact CD1-CE2 3.5Å; Y105-Y129 HydrophobicContact CD1-CE2 3.5Å; Y105-Y129 HydrophobicContact CD1-CG 4.21Å; Y105-Y129 AromaticContact CE1-CD2 3.91Å; Y105-Y129 HydrophobicContact CE1-CD2 3.91Å; Y105-Y129 AromaticContact CE1-CE2 3.39Å; Y105-Y129 HydrophobicContact CE1-CE2 3.39Å; Y105-Y129 AromaticContact CE1-CZ 3.92Å; Y105-Y129 HydrophobicContact CG-CD2 4.49Å; V106-Y129 CarbonylContact O-C 3.11Å; I127-Y129 PolarHBondContact O-N 2.55Å; I127-Y129 VanDerWaalsContact O-N 3.13Å; Y129-E131 PolarHBondContact O-N 3.48Å; Y129-Y155 HydrophobicContact CD1-CD2 4.23Å; Y129-Y155 HydrophobicContact CD1-CE2 4Å; Y129-Y155 HydrophobicContact CE1-CE2 4.24Å
130	L	98.4	Very high	97.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.162	C	C	.	.			trans	-62.4	128.7	-179.9	-170.6	70.7	0	0	0	111	V106 K107 L109 I127 P128 L133 Y155 L156	V106-L130 HydrophobicContact CG1-CD1 4.09Å; V106-L130 WeakPolarHBondContact O-CA 3.46Å; V106-L130 PolarHBondContact O-N 2.67Å; K107-L130 WeakPolarHBondContact O-CD1 3.35Å; L109-L130 HydrophobicContact CB-CD1 3.6Å; I127-L130 HydrophobicContact CD1-CD2 3.99Å; I127-L130 WeakPolarHBondContact O-CB 3.26Å; I127-L130 PolarHBondContact O-N 3.05Å; P128-L130 VanDerWaalsContact C-N 3.32Å; L130-L133 HydrophobicContact CD2-CB 3.92Å; L130-L133 HydrophobicContact CD2-CD1 4.21Å; L130-L133 HydrophobicContact CD2-CD2 4.06Å; L130-L133 HydrophobicContact CD2-CG 4.29Å; L130-Y155 CarbonylContact O-C 3.05Å; L130-L156 HydrophobicContact CD2-CD1 4.12Å; L130-L156 HydrophobicContact CG-CD1 4.09Å; L130-L156 VanDerWaalsContact O-CA 3.22Å; L130-L156 WeakPolarHBondContact O-CA 3.37Å; L130-L156 PolarHBondContact O-N 3.17Å
131	E	98.5	Very high	97.4	Very high	66 Å²	66	32.3 Å²	32.3	31%	0.308	16%	0.162	S	C	.	.			trans	-108.1	-34.8	-179.4	-63.4	-175.2	-151.9	0	0	112.1	K107 Y129 Y155 R157 L158	K107-E131 HydrophobicContact CB-CG 4.36Å; K107-E131 HydrophobicContact CG-CG 4.44Å; K107-E131 WeakPolarHBondContact O-CA 3.22Å; K107-E131 PolarHBondContact O-N 2.72Å; Y129-E131 PolarHBondContact O-N 3.48Å; E131-Y155 WeakPolarHBondContact CA-O 3.46Å; E131-R157 PolarHBondContact O-N 3.19Å; E131-L158 PolarHBondContact O-N 3.39Å
132	E	98.7	Very high	97.2	Very high	44 Å²	44	29.4 Å²	29.4	21%	0.206	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	124	-175.1	176.6	167.1	180	0	0	111.1	K107 E108 L109 H134 L158	K107-E132 PolarHBondContact O-N 2.85Å; E108-E132 HydrophobicContact CG-CB 4.26Å; L109-E132 PolarHBondContact N-O 3.14Å; E132-H134 WeakPolarHBondContact CG-NE2 3.3Å; E132-H134 IonicContact OE1-CD2 2.74Å; E132-H134 IonicContact OE1-CE1 2.88Å; E132-H134 PolarHBondContact OE1-CE1 2.78Å; E132-H134 IonicContact OE1-NE2 3.24Å; E132-H134 PolarHBondContact OE1-NE2 2.85Å; E132-L158 HydrophobicContact CB-CB 4.25Å; E132-L158 HydrophobicContact CB-CD1 4.39Å; E132-L158 HydrophobicContact CG-CB 4.06Å; E132-L158 HydrophobicContact CG-CD1 4.08Å
133	L	98.7	Very high	97.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	116.8	-177.5	-179.9	54.8	0	0	0	111.2	F98 L109 L111 L124 L130 L135 F150 L156 L158 L159 F160	F98-L133 HydrophobicContact CE2-CD1 4.02Å; F98-L133 HydrophobicContact CE2-CD2 4.09Å; F98-L133 HydrophobicContact CZ-CD1 4.31Å; L109-L133 HydrophobicContact CB-CD1 4.19Å; L109-L133 HydrophobicContact CD2-CD1 4.01Å; L109-L133 HydrophobicContact CG-CD1 4.13Å; L111-L133 HydrophobicContact CD1-CD1 4.2Å; L124-L133 HydrophobicContact CD2-CD2 4.46Å; L130-L133 HydrophobicContact CD2-CB 3.92Å; L130-L133 HydrophobicContact CD2-CD1 4.21Å; L130-L133 HydrophobicContact CD2-CD2 4.06Å; L130-L133 HydrophobicContact CD2-CG 4.29Å; L133-L135 HydrophobicContact CD1-CD1 4.27Å; L133-L135 HydrophobicContact CD1-CG 4.05Å; L133-L135 HydrophobicContact CD2-CD1 3.77Å; L133-L135 HydrophobicContact CD2-CG 4.43Å; L133-L135 HydrophobicContact CG-CD1 3.91Å; L133-L135 HydrophobicContact CG-CG 4.05Å; L133-F150 HydrophobicContact CD2-CE1 4.32Å; L133-L156 HydrophobicContact CB-CD1 3.85Å; L133-L158 PolarHBondContact N-O 3.31Å; L133-L159 HydrophobicContact CB-CD1 4.22Å; L133-L159 HydrophobicContact CD2-CD1 3.94Å; L133-L159 HydrophobicContact CG-CD1 4.16Å; L133-F160 PolarHBondContact O-N 2.61Å
134	H	98.8	Very high	97	Very high	25 Å²	25	32.9 Å²	32.9	12%	0.116	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	116.6	174.1	-58.6	-123.7	0	0	0	109.5	L109 H110 L111 E132 D136 F160	L109-H134 PolarHBondContact O-N 2.93Å; H110-H134 AromaticContact CE1-CD2 3.49Å; H110-H134 PolarHBondContact CE1-CD2 3.4Å; H110-H134 VanDerWaalsContact CE1-CD2 3.49Å; H110-H134 AromaticContact CE1-CE1 3.58Å; H110-H134 AromaticContact CE1-CG 3.96Å; H110-H134 AromaticContact CE1-ND1 3.98Å; H110-H134 AromaticContact CE1-NE2 3.24Å; H110-H134 PolarHBondContact CE1-NE2 3.49Å; H110-H134 AromaticContact ND1-CD2 3.33Å; H110-H134 PolarHBondContact ND1-CD2 2.78Å; H110-H134 VanDerWaalsContact ND1-CD2 3.33Å; H110-H134 AromaticContact ND1-CE1 3.7Å; H110-H134 AromaticContact ND1-CG 3.42Å; H110-H134 AromaticContact ND1-ND1 3.62Å; H110-H134 AromaticContact ND1-NE2 3.53Å; L111-H134 CarbonylContact C-O 3.23Å; L111-H134 WeakPolarHBondContact CA-O 3.12Å; L111-H134 WeakPolarHBondContact CB-O 3.3Å; L111-H134 PolarHBondContact N-O 3.2Å; E132-H134 WeakPolarHBondContact CG-NE2 3.3Å; E132-H134 IonicContact OE1-CD2 2.74Å; E132-H134 IonicContact OE1-CE1 2.88Å; E132-H134 PolarHBondContact OE1-CE1 2.78Å; E132-H134 IonicContact OE1-NE2 3.24Å; E132-H134 PolarHBondContact OE1-NE2 2.85Å; H134-D136 IonicContact ND1-OD2 3.15Å; H134-F160 AromaticContact CE1-CD2 3.44Å; H134-F160 VanDerWaalsContact CE1-CD2 3.44Å; H134-F160 WeakPolarHBondContact CE1-CD2 3.32Å; H134-F160 AromaticContact CE1-CE2 3.4Å; H134-F160 VanDerWaalsContact CE1-CE2 3.4Å; H134-F160 WeakPolarHBondContact CE1-CE2 3.03Å; H134-F160 AromaticContact CG-CD2 3.9Å; H134-F160 AromaticContact ND1-CD2 3.45Å; H134-F160 WeakPolarHBondContact ND1-CD2 3.5Å; H134-F160 AromaticContact ND1-CE2 3.92Å; H134-F160 AromaticContact NE2-CD2 3.93Å; H134-F160 AromaticContact NE2-CE2 3.8Å
135	L	98.3	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.			trans	-124.4	22.7	175.7	-75.7	165.3	0	0	0	110.9	F98 L111 I116 I119 L133 N138 F160 L161 N164	F98-L135 HydrophobicContact CD2-CD2 4.5Å; L111-L135 HydrophobicContact CB-CD2 3.9Å; L111-L135 HydrophobicContact CD1-CD2 3.91Å; I116-L135 HydrophobicContact CD1-CD2 3.8Å; I119-L135 HydrophobicContact CD1-CD1 3.61Å; L133-L135 HydrophobicContact CD1-CD1 4.27Å; L133-L135 HydrophobicContact CD1-CG 4.05Å; L133-L135 HydrophobicContact CD2-CD1 3.77Å; L133-L135 HydrophobicContact CD2-CG 4.43Å; L133-L135 HydrophobicContact CG-CD1 3.91Å; L133-L135 HydrophobicContact CG-CG 4.05Å; L135-N138 PolarHBondContact O-ND2 2.91Å; L135-N138 VanDerWaalsContact O-ND2 3.13Å; L135-F160 WeakPolarHBondContact CA-O 3.21Å; L135-F160 WeakPolarHBondContact CB-O 3.36Å; L135-F160 PolarHBondContact N-O 3.28Å; L135-L161 HydrophobicContact CB-CD2 3.81Å; L135-L161 HydrophobicContact CD1-CD2 3.88Å; L135-N164 PolarHBondContact O-ND2 3.11Å
136	D	98	Very high	96.9	Very high	16 Å²	16	36.8 Å²	36.8	9%	0.086	20%	0.195	C	C	.	.			trans	-58.1	150.3	178.7	-48.4	-99.9	0	0	0	111.6	Q112 E113 H134 N138 F160 S162	Q112-D136 CarbonylContact C-O 3.51Å; Q112-D136 WeakPolarHBondContact CA-O 3.49Å; Q112-D136 HydrophobicContact CB-CB 3.85Å; Q112-D136 VanDerWaalsContact CB-O 3.28Å; Q112-D136 WeakPolarHBondContact CB-O 3.37Å; E113-D136 PolarHBondContact N-O 3.15Å; H134-D136 IonicContact ND1-OD2 3.15Å; D136-N138 PolarHBondContact O-N 2.89Å; D136-N138 PolarHBondContact O-ND2 3.27Å; D136-F160 WeakPolarHBondContact OD2-CB 3.35Å; D136-S162 VanDerWaalsContact CA-O 3.27Å; D136-S162 WeakPolarHBondContact CA-O 3.4Å; D136-S162 VanDerWaalsContact OD1-CB 3.23Å; D136-S162 WeakPolarHBondContact OD1-CB 3.23Å; D136-S162 PolarHBondContact OD1-OG 3.09Å
137	D	98.3	Very high	96.6	Very high	55 Å²	55	41 Å²	41	29%	0.294	22%	0.216	S	C	.	.	S	Bend	trans	52.9	54.4	176.8	-62	-73.8	0	0	0	112.9	E113 N114 S162 R163	E113-D137 WeakPolarHBondContact CA-O 3.42Å; E113-D137 HydrophobicContact CG-CB 4.01Å; E113-D137 PolarHBondContact N-O 3.15Å; N114-D137 PolarHBondContact N-O 3.32Å; D137-S162 PolarHBondContact N-O 2.83Å; D137-S162 VanDerWaalsContact N-O 3.08Å; D137-R163 WeakPolarHBondContact CA-O 3.47Å; D137-R163 WeakPolarHBondContact OD1-CB 3.12Å; D137-R163 WeakPolarHBondContact OD1-CD 3.44Å; D137-R163 IonicContact OD1-CZ 3.73Å; D137-R163 IonicContact OD1-NE 2.7Å; D137-R163 PolarHBondContact OD1-NE 2.93Å; D137-R163 IonicContact OD2-CZ 3.68Å; D137-R163 IonicContact OD2-NE 2.73Å; D137-R163 PolarHBondContact OD2-NE 2.88Å; D137-R163 IonicContact OD2-NH2 3.95Å; D137-R163 PolarHBondContact OD2-NH2 3.07Å
138	N	98.4	Very high	96.3	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.027	23%	0.226	C	C	.	.	S	Bend	trans	-126.3	-171.8	174.3	-84	-83.7	0	0	0	110.1	L111 N114 I116 L135 D136 V140 N164	L111-N138 PolarHBondContact O-ND2 2.85Å; N114-N138 WeakPolarHBondContact CA-OD1 3.23Å; N114-N138 WeakPolarHBondContact CB-OD1 3.4Å; N114-N138 PolarHBondContact O-OD1 2.04Å; I116-N138 HydrophobicContact CB-CB 4.32Å; I116-N138 VanDerWaalsContact CB-OD1 3.23Å; I116-N138 WeakPolarHBondContact CB-OD1 3.27Å; I116-N138 WeakPolarHBondContact CG1-OD1 3.4Å; I116-N138 PolarHBondContact N-OD1 3.09Å; L135-N138 PolarHBondContact O-ND2 2.91Å; L135-N138 VanDerWaalsContact O-ND2 3.13Å; D136-N138 PolarHBondContact O-N 2.89Å; D136-N138 PolarHBondContact O-ND2 3.27Å; N138-V140 HydrophobicContact CB-CG2 4.18Å; N138-N164 WeakPolarHBondContact CA-OD1 3.42Å; N138-N164 VanDerWaalsContact CB-OD1 3.23Å; N138-N164 WeakPolarHBondContact CB-OD1 3.46Å; N138-N164 PolarHBondContact O-OD1 2.92Å
139	S	97.6	Very high	96.2	Very high	29 Å²	29	40.6 Å²	40.6	20%	0.203	22%	0.217	C	C	.	.			trans	-112.8	30.6	-179.6	-65.5	0	0	0	0	112	I116	I116-S139 CarbonylContact O-C 3.43Å; I116-S139 WeakPolarHBondContact O-CA 3.2Å; I116-S139 PolarHBondContact O-N 3.26Å
140	V	97.7	Very high	96.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.			trans	-73.3	136	-177.1	-175.3	0	0	0	0	110.2	I116 I119 N138 I145 N164 H165 L166	I116-V140 HydrophobicContact CG2-CG2 4.25Å; I116-V140 WeakPolarHBondContact O-CG2 3.4Å; I116-V140 PolarHBondContact O-N 3.11Å; I119-V140 HydrophobicContact CD1-CG1 3.98Å; I119-V140 HydrophobicContact CD1-CG2 4.16Å; N138-V140 HydrophobicContact CB-CG2 4.18Å; V140-I145 HydrophobicContact CG1-CD1 3.72Å; V140-I145 HydrophobicContact CG1-CG1 3.69Å; V140-N164 HydrophobicContact CB-CB 4.45Å; V140-N164 VanDerWaalsContact CB-OD1 3.28Å; V140-N164 WeakPolarHBondContact CB-OD1 3.16Å; V140-N164 WeakPolarHBondContact CG2-OD1 3.17Å; V140-N164 PolarHBondContact N-OD1 2.73Å; V140-H165 CarbonylContact O-C 2.97Å; V140-H165 VanDerWaalsContact O-C 3.25Å; V140-H165 VanDerWaalsContact O-CA 3.29Å; V140-H165 WeakPolarHBondContact O-CA 3.43Å; V140-H165 PolarHBondContact O-N 3.07Å; V140-L166 HydrophobicContact CG1-CD2 4.35Å; V140-L166 PolarHBondContact O-N 2.88Å
141	S	96	Very high	95.9	Very high	36 Å²	36	45.4 Å²	45.4	25%	0.252	24%	0.235	S	C	.	.			trans	-124.1	160.4	176.4	72.2	0	0	0	0	109.9	V143 S144 I145	S141-V143 PolarHBondContact O-N 3.19Å; S141-S144 PolarHBondContact N-OG 3.12Å; S141-S144 PolarHBondContact O-N 3.18Å; S141-S144 VanDerWaalsContact O-N 3.11Å; S141-S144 PolarHBondContact O-OG 3.27Å; S141-S144 WeakPolarHBondContact OG-CB 3.44Å; S141-S144 PolarHBondContact OG-N 3.12Å; S141-S144 PolarHBondContact OG-OG 3.21Å; S141-I145 PolarHBondContact O-N 3.02Å
142	A	92.3	Very high	95.7	Very high	21 Å²	21	44.8 Å²	44.8	17%	0.174	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.4	-179.6	0	0	0	0	0	112.7	T168	A142-T168 HydrophobicContact CB-CG2 3.67Å
143	V	92.7	Very high	95.5	Very high	138 Å²	138	42.7 Å²	42.7	84%	0.836	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-24.6	179	-177.8	0	0	0	0	112.1	S141 I145	S141-V143 PolarHBondContact O-N 3.19Å; V143-I145 VanDerWaalsContact C-N 3.31Å
144	S	93.6	Very high	95.4	Very high	21 Å²	21	47.5 Å²	47.5	15%	0.147	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.3	-178.5	63.7	0	0	0	0	113.2	R117 T118 I119 S141	R117-S144 WeakPolarHBondContact O-CB 3.2Å; R117-S144 PolarHBondContact O-OG 2.89Å; T118-S144 WeakPolarHBondContact CA-O 3.46Å; I119-S144 PolarHBondContact N-O 3.45Å; S141-S144 PolarHBondContact N-OG 3.12Å; S141-S144 PolarHBondContact O-N 3.18Å; S141-S144 VanDerWaalsContact O-N 3.11Å; S141-S144 PolarHBondContact O-OG 3.27Å; S141-S144 WeakPolarHBondContact OG-CB 3.44Å; S141-S144 PolarHBondContact OG-N 3.12Å; S141-S144 PolarHBondContact OG-OG 3.21Å
145	I	96.3	Very high	95.3	Very high	15 Å²	15	52.3 Å²	52.3	8%	0.077	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-92.1	118.1	167.7	-60.8	170.9	0	0	0	107.6	I119 V140 S141 V143 A149 F150 L166 P170	I119-I145 HydrophobicContact CB-CG1 4.3Å; I119-I145 HydrophobicContact CD1-CG1 4.17Å; I119-I145 HydrophobicContact CG1-CG1 4.45Å; V140-I145 HydrophobicContact CG1-CD1 3.72Å; V140-I145 HydrophobicContact CG1-CG1 3.69Å; S141-I145 PolarHBondContact O-N 3.02Å; V143-I145 VanDerWaalsContact C-N 3.31Å; I145-A149 HydrophobicContact CG2-CB 3.97Å; I145-F150 HydrophobicContact CG2-CE2 3.98Å; I145-L166 HydrophobicContact CD1-CD2 4.29Å; I145-P170 HydrophobicContact CD1-CB 4.04Å; I145-P170 HydrophobicContact CD1-CG 3.46Å; I145-P170 VanDerWaalsContact CD1-CG 3.46Å
146	E	95.1	Very high	95.3	Very high	93 Å²	93	52.3 Å²	52.3	44%	0.435	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-59	142.8	176.1	-173.5	179.9	175.8	0	0	111.1	I119 T120 Y121 G148 A149	I119-E146 PolarHBondContact O-N 3.15Å; T120-E146 WeakPolarHBondContact CA-OE2 3.2Å; T120-E146 VanDerWaalsContact CB-OE2 3.22Å; T120-E146 WeakPolarHBondContact CB-OE2 3.22Å; Y121-E146 PolarHBondContact N-OE2 3Å; E146-G148 PolarHBondContact O-N 3.38Å; E146-G148 VanDerWaalsContact O-N 3.15Å; E146-A149 HydrophobicContact CB-CB 4.25Å; E146-A149 VanDerWaalsContact O-CB 3.24Å; E146-A149 WeakPolarHBondContact O-CB 3.34Å; E146-A149 PolarHBondContact O-N 3.1Å
147	E	90.6	Very high	95.3	Very high	177 Å²	177	56.5 Å²	56.5	83%	0.827	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	121.2	178.3	-171.4	178	174.4	0	0	110.5	A149	E147-A149 VanDerWaalsContact C-N 3.31Å; E147-A149 PolarHBondContact O-N 2.98Å
148	G	89.4	Confident	95.4	Very high	20 Å²	20	55.7 Å²	55.7	21%	0.206	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	20.2	-176.3	0	0	0	0	0	114.3	E146 F150 R151	E146-G148 PolarHBondContact O-N 3.38Å; E146-G148 VanDerWaalsContact O-N 3.15Å; G148-F150 PolarHBondContact O-N 2.76Å; G148-R151 WeakPolarHBondContact O-CB 3.43Å; G148-R151 PolarHBondContact O-N 2.93Å
149	A	96	Very high	95.4	Very high	2 Å²	2	55.5 Å²	55.5	2%	0.017	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-35.6	175.3	0	0	0	0	0	113.1	I119 L124 I145 E146 E147	I119-A149 HydrophobicContact CG2-CB 4.38Å; L124-A149 WeakPolarHBondContact CB-O 3.22Å; L124-A149 HydrophobicContact CD1-CB 4.06Å; L124-A149 WeakPolarHBondContact CD1-O 3.46Å; I145-A149 HydrophobicContact CG2-CB 3.97Å; E146-A149 HydrophobicContact CB-CB 4.25Å; E146-A149 VanDerWaalsContact O-CB 3.24Å; E146-A149 WeakPolarHBondContact O-CB 3.34Å; E146-A149 PolarHBondContact O-N 3.1Å; E147-A149 VanDerWaalsContact C-N 3.31Å; E147-A149 PolarHBondContact O-N 2.98Å
150	F	95.6	Very high	95.4	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.018	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	11.4	-179.2	-58.8	-81.9	0	0	0	115	L124 L133 I145 G148 D152 S153 L156 L159 L173 P174	L124-F150 HydrophobicContact CD1-CD1 3.6Å; L124-F150 HydrophobicContact CD1-CE1 3.64Å; L124-F150 HydrophobicContact CD1-CG 4.14Å; L124-F150 HydrophobicContact CD1-CZ 4.22Å; L133-F150 HydrophobicContact CD2-CE1 4.32Å; I145-F150 HydrophobicContact CG2-CE2 3.98Å; G148-F150 PolarHBondContact O-N 2.76Å; F150-D152 VanDerWaalsContact C-N 3.25Å; F150-D152 PolarHBondContact O-N 2.81Å; F150-S153 WeakPolarHBondContact O-CB 3.31Å; F150-S153 PolarHBondContact O-N 3.11Å; F150-S153 VanDerWaalsContact O-N 3.12Å; F150-L156 HydrophobicContact CD1-CD2 3.99Å; F150-L156 HydrophobicContact CE1-CD2 4.19Å; F150-L159 HydrophobicContact CE1-CD1 4.42Å; F150-L159 HydrophobicContact CE1-CD2 4.39Å; F150-L159 HydrophobicContact CZ-CD2 4.26Å; F150-L173 HydrophobicContact CD2-CD2 4.28Å; F150-L173 HydrophobicContact CE2-CD2 4.28Å; F150-P174 HydrophobicContact CB-CG 4.07Å
151	R	92.6	Very high	95.4	Very high	187 Å²	187	54.6 Å²	54.6	71%	0.706	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-38.7	-174.6	174.6	-179.2	-99.1	-179.2	-3.3	113.1	Y121 G148	Y121-R151 HydrophobicContact CD2-CB 4.35Å; Y121-R151 HydrophobicContact CE2-CB 4.13Å; G148-R151 WeakPolarHBondContact O-CB 3.43Å; G148-R151 PolarHBondContact O-N 2.93Å
152	D	94.3	Very high	95.6	Very high	52 Å²	52	53 Å²	53	28%	0.278	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-3.5	-177.5	-74.5	-5.3	0	0	0	113.5	Y121 F150 N154	Y121-D152 HydrophobicContact CE2-CB 4.46Å; Y121-D152 PolarHBondContact OH-OD2 3.25Å; F150-D152 VanDerWaalsContact C-N 3.25Å; F150-D152 PolarHBondContact O-N 2.81Å; D152-N154 PolarHBondContact O-N 3.41Å; D152-N154 PolarHBondContact O-ND2 2.99Å
153	S	95.9	Very high	95.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.268	C	S	.	.			trans	-78.7	55.4	179.5	-53	0	0	0	0	111.7	F150 Y155 L156	F150-S153 WeakPolarHBondContact O-CB 3.31Å; F150-S153 PolarHBondContact O-N 3.11Å; F150-S153 VanDerWaalsContact O-N 3.12Å; S153-Y155 PolarHBondContact O-N 2.78Å; S153-Y155 VanDerWaalsContact O-N 3.15Å; S153-L156 PolarHBondContact O-N 2.95Å
154	N	95.4	Very high	96.1	Very high	102 Å²	102	50.5 Å²	50.5	55%	0.545	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.2	-171.6	-65.6	-63	0	0	0	114.5	D152 T176	D152-N154 PolarHBondContact O-N 3.41Å; D152-N154 PolarHBondContact O-ND2 2.99Å; N154-T176 WeakPolarHBondContact O-CG2 3.47Å
155	Y	97.7	Very high	96.3	Very high	126 Å²	126	53.4 Å²	53.4	49%	0.494	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-2.7	178.4	-66.4	-88.5	0	0	0	112.5	P128 Y129 L130 E131 S153 R157	P128-Y155 WeakPolarHBondContact O-CD2 3.45Å; Y129-Y155 HydrophobicContact CD1-CD2 4.23Å; Y129-Y155 HydrophobicContact CD1-CE2 4Å; Y129-Y155 HydrophobicContact CE1-CE2 4.24Å; L130-Y155 CarbonylContact O-C 3.05Å; E131-Y155 WeakPolarHBondContact CA-O 3.46Å; S153-Y155 PolarHBondContact O-N 2.78Å; S153-Y155 VanDerWaalsContact O-N 3.15Å; Y155-R157 WeakPolarHBondContact O-CG 3.12Å; Y155-R157 PolarHBondContact O-N 3.37Å
156	L	98.4	Very high	96.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.236	C	C	.	.			trans	-70	121	-174.3	-170.7	69.4	0	0	0	110.2	L130 L133 F150 S153 L159 P174 T176 I177	L130-L156 HydrophobicContact CD2-CD1 4.12Å; L130-L156 HydrophobicContact CG-CD1 4.09Å; L130-L156 VanDerWaalsContact O-CA 3.22Å; L130-L156 WeakPolarHBondContact O-CA 3.37Å; L130-L156 PolarHBondContact O-N 3.17Å; L133-L156 HydrophobicContact CB-CD1 3.85Å; F150-L156 HydrophobicContact CD1-CD2 3.99Å; F150-L156 HydrophobicContact CE1-CD2 4.19Å; S153-L156 PolarHBondContact O-N 2.95Å; L156-L159 HydrophobicContact CD2-CB 4.35Å; L156-L159 HydrophobicContact CD2-CD1 4.45Å; L156-P174 HydrophobicContact CB-CG 4.07Å; L156-P174 HydrophobicContact CD2-CG 3.89Å; L156-P174 HydrophobicContact CG-CG 4.45Å; L156-T176 CarbonylContact O-C 3.42Å; L156-T176 VanDerWaalsContact O-C 3.26Å; L156-T176 WeakPolarHBondContact O-CB 3.28Å; L156-T176 PolarHBondContact O-OG1 3.49Å; L156-I177 PolarHBondContact O-N 3.24Å
157	R	98.4	Very high	96.5	Very high	104 Å²	104	51 Å²	51	39%	0.392	24%	0.235	S	C	.	.			trans	-113.5	-39	-176.9	-68.5	170	72.8	-142.6	-6.3	111.5	E131 Y155 I177 E178 E179	E131-R157 PolarHBondContact O-N 3.19Å; Y155-R157 WeakPolarHBondContact O-CG 3.12Å; Y155-R157 PolarHBondContact O-N 3.37Å; R157-I177 WeakPolarHBondContact O-CA 3.41Å; R157-E178 HydrophobicContact CB-CG 4.43Å; R157-E178 IonicContact CZ-OE1 2.75Å; R157-E178 VanDerWaalsContact CZ-OE1 3.23Å; R157-E178 IonicContact NE-OE1 2.83Å; R157-E178 PolarHBondContact NE-OE1 3.13Å; R157-E178 IonicContact NH2-OE1 3.29Å; R157-E178 PolarHBondContact NH2-OE1 3.04Å; R157-E178 IonicContact NH2-OE2 2.85Å; R157-E178 PolarHBondContact NH2-OE2 2.88Å; R157-E178 VanDerWaalsContact NH2-OE2 3.1Å; R157-E178 PolarHBondContact O-N 3.45Å; R157-E179 PolarHBondContact O-N 3.45Å; R157-E179 VanDerWaalsContact O-N 3.11Å
158	L	98.8	Very high	96.8	Very high	38 Å²	38	44 Å²	44	20%	0.199	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.6	-177.4	-51.1	-179.5	0	0	0	109.2	E131 E132 L133 F160 E179	E131-L158 PolarHBondContact O-N 3.39Å; E132-L158 HydrophobicContact CB-CB 4.25Å; E132-L158 HydrophobicContact CB-CD1 4.39Å; E132-L158 HydrophobicContact CG-CB 4.06Å; E132-L158 HydrophobicContact CG-CD1 4.08Å; L133-L158 PolarHBondContact N-O 3.31Å; L158-F160 HydrophobicContact CB-CE1 4.08Å; L158-F160 HydrophobicContact CB-CZ 4.02Å; L158-F160 HydrophobicContact CD1-CZ 4.38Å; L158-E179 HydrophobicContact CD2-CB 3.49Å; L158-E179 VanDerWaalsContact CD2-CB 3.49Å
159	L	98.6	Very high	97.1	Very high	0 Å²	0	43 Å²	43	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	111.3	177.4	177.6	59.5	0	0	0	109.5	L133 F150 L156 L161 L173 I177 E179 L180 R181	L133-L159 HydrophobicContact CB-CD1 4.22Å; L133-L159 HydrophobicContact CD2-CD1 3.94Å; L133-L159 HydrophobicContact CG-CD1 4.16Å; F150-L159 HydrophobicContact CE1-CD1 4.42Å; F150-L159 HydrophobicContact CE1-CD2 4.39Å; F150-L159 HydrophobicContact CZ-CD2 4.26Å; L156-L159 HydrophobicContact CD2-CB 4.35Å; L156-L159 HydrophobicContact CD2-CD1 4.45Å; L159-L161 HydrophobicContact CD1-CD1 4.15Å; L159-L161 HydrophobicContact CD1-CG 4.12Å; L159-L161 HydrophobicContact CD2-CD1 3.9Å; L159-L161 HydrophobicContact CG-CD1 3.91Å; L159-L161 HydrophobicContact CG-CG 4.2Å; L159-L173 HydrophobicContact CD2-CD2 3.79Å; L159-I177 HydrophobicContact CB-CD1 4.16Å; L159-I177 HydrophobicContact CD2-CD1 3.98Å; L159-E179 PolarHBondContact N-O 2.92Å; L159-L180 HydrophobicContact CB-CD1 4.16Å; L159-L180 HydrophobicContact CD2-CD1 4Å; L159-L180 HydrophobicContact CG-CD1 4.1Å; L159-R181 PolarHBondContact O-N 2.91Å; L159-R181 VanDerWaalsContact O-N 3.08Å
160	F	98.7	Very high	97	Very high	10 Å²	10	43.3 Å²	43.3	4%	0.044	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.2	179	-52.1	-25.5	0	0	0	110	L133 H134 L135 D136 L158 E179 R181	L133-F160 PolarHBondContact O-N 2.61Å; H134-F160 AromaticContact CE1-CD2 3.44Å; H134-F160 VanDerWaalsContact CE1-CD2 3.44Å; H134-F160 WeakPolarHBondContact CE1-CD2 3.32Å; H134-F160 AromaticContact CE1-CE2 3.4Å; H134-F160 VanDerWaalsContact CE1-CE2 3.4Å; H134-F160 WeakPolarHBondContact CE1-CE2 3.03Å; H134-F160 AromaticContact CG-CD2 3.9Å; H134-F160 AromaticContact ND1-CD2 3.45Å; H134-F160 WeakPolarHBondContact ND1-CD2 3.5Å; H134-F160 AromaticContact ND1-CE2 3.92Å; H134-F160 AromaticContact NE2-CD2 3.93Å; H134-F160 AromaticContact NE2-CE2 3.8Å; L135-F160 WeakPolarHBondContact CA-O 3.21Å; L135-F160 WeakPolarHBondContact CB-O 3.36Å; L135-F160 PolarHBondContact N-O 3.28Å; D136-F160 WeakPolarHBondContact OD2-CB 3.35Å; L158-F160 HydrophobicContact CB-CE1 4.08Å; L158-F160 HydrophobicContact CB-CZ 4.02Å; L158-F160 HydrophobicContact CD1-CZ 4.38Å; F160-E179 HydrophobicContact CE1-CB 4.3Å; F160-E179 HydrophobicContact CE1-CG 3.86Å; F160-R181 HydrophobicContact CB-CB 4.39Å; F160-R181 HydrophobicContact CD1-CB 3.84Å; F160-R181 HydrophobicContact CD1-CG 3.61Å; F160-R181 HydrophobicContact CE1-CG 3.97Å; F160-R181 HydrophobicContact CG-CB 4.4Å; F160-R181 HydrophobicContact CG-CG 4.43Å
161	L	98.3	Very high	96.8	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	22%	0.223	C	C	.	.			trans	-127.5	28.2	-178.3	-75.7	164	0	0	0	109.7	L135 L159 N164 L166 R181 L182 N185	L135-L161 HydrophobicContact CB-CD2 3.81Å; L135-L161 HydrophobicContact CD1-CD2 3.88Å; L159-L161 HydrophobicContact CD1-CD1 4.15Å; L159-L161 HydrophobicContact CD1-CG 4.12Å; L159-L161 HydrophobicContact CD2-CD1 3.9Å; L159-L161 HydrophobicContact CG-CD1 3.91Å; L159-L161 HydrophobicContact CG-CG 4.2Å; L161-N164 PolarHBondContact O-ND2 2.95Å; L161-L166 HydrophobicContact CB-CD1 4.03Å; L161-L166 HydrophobicContact CD1-CD1 4.25Å; L161-R181 PolarHBondContact N-O 2.93Å; L161-L182 HydrophobicContact CB-CD2 3.83Å; L161-L182 HydrophobicContact CD1-CD2 4.07Å; L161-N185 PolarHBondContact O-ND2 3.39Å
162	S	98.3	Very high	96.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	21%	0.212	C	C	.	.			trans	-64.8	151.7	-179	-51.3	0	0	0	0	111	D136 D137 N164 D183	D136-S162 VanDerWaalsContact CA-O 3.27Å; D136-S162 WeakPolarHBondContact CA-O 3.4Å; D136-S162 VanDerWaalsContact OD1-CB 3.23Å; D136-S162 WeakPolarHBondContact OD1-CB 3.23Å; D136-S162 PolarHBondContact OD1-OG 3.09Å; D137-S162 PolarHBondContact N-O 2.83Å; D137-S162 VanDerWaalsContact N-O 3.08Å; S162-N164 PolarHBondContact O-N 3.49Å; S162-N164 PolarHBondContact O-ND2 2.93Å; S162-D183 CarbonylContact C-O 3.52Å; S162-D183 VanDerWaalsContact CA-O 3.24Å; S162-D183 WeakPolarHBondContact CA-O 3.31Å; S162-D183 WeakPolarHBondContact CB-OD1 3.48Å; S162-D183 VanDerWaalsContact CB-OD2 3.31Å; S162-D183 WeakPolarHBondContact CB-OD2 3.47Å; S162-D183 PolarHBondContact OG-OD1 3.37Å; S162-D183 PolarHBondContact OG-OD2 3.16Å
163	R	98.4	Very high	96.7	Very high	103 Å²	103	42 Å²	42	39%	0.389	20%	0.202	S	C	.	.	S	Bend	trans	51.9	49.3	178.1	-64.8	-178.7	-63.7	-71.4	-6.2	113.7	D137 D183 D184	D137-R163 WeakPolarHBondContact CA-O 3.47Å; D137-R163 WeakPolarHBondContact OD1-CB 3.12Å; D137-R163 WeakPolarHBondContact OD1-CD 3.44Å; D137-R163 IonicContact OD1-CZ 3.73Å; D137-R163 IonicContact OD1-NE 2.7Å; D137-R163 PolarHBondContact OD1-NE 2.93Å; D137-R163 IonicContact OD2-CZ 3.68Å; D137-R163 IonicContact OD2-NE 2.73Å; D137-R163 PolarHBondContact OD2-NE 2.88Å; D137-R163 IonicContact OD2-NH2 3.95Å; D137-R163 PolarHBondContact OD2-NH2 3.07Å; R163-D183 PolarHBondContact N-O 3.13Å; R163-D184 WeakPolarHBondContact CA-O 3.31Å; R163-D184 HydrophobicContact CG-CB 3.59Å
164	N	98.4	Very high	96.7	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.206	C	C	.	.	S	Bend	trans	-114.1	-163.2	174.7	-87.4	-85	0	0	0	111.1	L135 N138 V140 L161 S162 L166 N185	L135-N164 PolarHBondContact O-ND2 3.11Å; N138-N164 WeakPolarHBondContact CA-OD1 3.42Å; N138-N164 VanDerWaalsContact CB-OD1 3.23Å; N138-N164 WeakPolarHBondContact CB-OD1 3.46Å; N138-N164 PolarHBondContact O-OD1 2.92Å; V140-N164 HydrophobicContact CB-CB 4.45Å; V140-N164 VanDerWaalsContact CB-OD1 3.28Å; V140-N164 WeakPolarHBondContact CB-OD1 3.16Å; V140-N164 WeakPolarHBondContact CG2-OD1 3.17Å; V140-N164 PolarHBondContact N-OD1 2.73Å; L161-N164 PolarHBondContact O-ND2 2.95Å; S162-N164 PolarHBondContact O-N 3.49Å; S162-N164 PolarHBondContact O-ND2 2.93Å; N164-L166 HydrophobicContact CB-CG 4.38Å; N164-N185 VanDerWaalsContact CA-OD1 3.24Å; N164-N185 WeakPolarHBondContact CA-OD1 3.22Å; N164-N185 WeakPolarHBondContact CB-OD1 3.34Å; N164-N185 PolarHBondContact N-OD1 2.77Å; N164-N185 PolarHBondContact O-OD1 3.05Å
165	H	97.6	Very high	96.7	Very high	81 Å²	81	46.9 Å²	46.9	38%	0.375	21%	0.214	S	C	.	.			trans	-114.9	31.6	-179.7	-60.9	-13.4	0	0	0	111.9	V140 S167 N185	V140-H165 CarbonylContact O-C 2.97Å; V140-H165 VanDerWaalsContact O-C 3.25Å; V140-H165 VanDerWaalsContact O-CA 3.29Å; V140-H165 WeakPolarHBondContact O-CA 3.43Å; V140-H165 PolarHBondContact O-N 3.07Å; H165-S167 PolarHBondContact O-N 2.98Å; H165-N185 PolarHBondContact N-OD1 2.89Å
166	L	97.9	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.			trans	-71.1	128.9	178.5	-60.7	174.1	0	0	0	110.7	V140 I145 L161 N164 P170 L182 N185 R186 I187	V140-L166 HydrophobicContact CG1-CD2 4.35Å; V140-L166 PolarHBondContact O-N 2.88Å; I145-L166 HydrophobicContact CD1-CD2 4.29Å; L161-L166 HydrophobicContact CB-CD1 4.03Å; L161-L166 HydrophobicContact CD1-CD1 4.25Å; N164-L166 HydrophobicContact CB-CG 4.38Å; L166-P170 HydrophobicContact CD2-CG 4.3Å; L166-L182 HydrophobicContact CD1-CD2 3.45Å; L166-L182 VanDerWaalsContact CD1-CD2 3.45Å; L166-N185 HydrophobicContact CB-CB 4.23Å; L166-N185 WeakPolarHBondContact CB-OD1 3.24Å; L166-N185 WeakPolarHBondContact CG-OD1 3.49Å; L166-N185 PolarHBondContact N-OD1 2.92Å; L166-N185 VanDerWaalsContact N-OD1 3.11Å; L166-R186 CarbonylContact O-C 3.1Å; L166-R186 VanDerWaalsContact O-CA 3.29Å; L166-R186 WeakPolarHBondContact O-CA 3.12Å; L166-R186 PolarHBondContact O-N 3.19Å; L166-I187 HydrophobicContact CB-CG1 4.13Å; L166-I187 PolarHBondContact O-N 2.85Å; L166-I187 VanDerWaalsContact O-N 3.12Å
167	S	97	Very high	96.6	Very high	57 Å²	57	43 Å²	43	40%	0.399	20%	0.204	S	C	.	.	S	Bend	trans	-98.6	-17.8	173.7	55.7	0	0	0	0	113.5	H165 R186 I187 S188	H165-S167 PolarHBondContact O-N 2.98Å; S167-R186 WeakPolarHBondContact CA-O 3.48Å; S167-I187 WeakPolarHBondContact O-CA 3.13Å; S167-S188 PolarHBondContact O-N 2.88Å
168	T	97.3	Very high	96.6	Very high	30 Å²	30	40 Å²	40	18%	0.184	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-151.1	166.7	176.3	-173.4	0	0	0	0	109.1	A142 T189	A142-T168 HydrophobicContact CB-CG2 3.67Å; T168-T189 PolarHBondContact OG1-O 3.21Å
169	I	96.4	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-75.7	126.6	173.3	-55.5	-171.3	0	0	0	109	L173 L182 I187 I190 L195 L206	I169-L173 HydrophobicContact CG2-CD1 3.81Å; I169-L182 HydrophobicContact CD1-CD1 3.85Å; I169-L182 HydrophobicContact CG1-CD1 3.88Å; I169-L182 HydrophobicContact CG2-CD1 4.25Å; I169-I187 HydrophobicContact CG1-CD1 4.4Å; I169-I190 HydrophobicContact CD1-CD1 4.07Å; I169-I190 HydrophobicContact CD1-CG1 4.06Å; I169-I190 HydrophobicContact CD1-CG2 3.92Å; I169-I190 HydrophobicContact CG1-CG1 4.27Å; I169-L195 HydrophobicContact CD1-CD1 4.15Å; I169-L195 HydrophobicContact CD1-CD2 3.9Å; I169-L195 HydrophobicContact CD1-CG 4.13Å; I169-L195 HydrophobicContact CG2-CD2 4.25Å; I169-L206 HydrophobicContact CD1-CD2 4.1Å
170	P	93.3	Very high	96.6	Very high	8 Å²	8	39.8 Å²	39.8	5%	0.052	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-57.8	147.1	178.1	-23.8	34.2	0	0	0	112.4	I145 L166	I145-P170 HydrophobicContact CD1-CB 4.04Å; I145-P170 HydrophobicContact CD1-CG 3.46Å; I145-P170 VanDerWaalsContact CD1-CG 3.46Å; L166-P170 HydrophobicContact CD2-CG 4.3Å
171	W	90.4	Very high	96.6	Very high	157 Å²	157	43 Å²	43	60%	0.595	20%	0.204	S	C	*	.	S	Bend	trans	-84.7	156.7	174.8	-58.3	-14.7	0	0	0	111	S191	W171-S191 PolarHBondContact NE1-OG 3.26Å; W171-S191 VanDerWaalsContact NE1-OG 3.1Å
172	G	90.4	Very high	96.6	Very high	45 Å²	45	42.9 Å²	42.9	46%	0.464	20%	0.204	S	C	.	.	S	Bend	trans	74.8	28	176.2	0	0	0	0	0	114.3
173	L	95.2	Very high	96.6	Very high	15 Å²	15	44 Å²	44	8%	0.079	21%	0.209	C	C	.	.			trans	-62	144.7	170.6	-69.5	177	0	0	0	111.2	F150 L159 I169 I177 L180 L198	F150-L173 HydrophobicContact CD2-CD2 4.28Å; F150-L173 HydrophobicContact CE2-CD2 4.28Å; L159-L173 HydrophobicContact CD2-CD2 3.79Å; I169-L173 HydrophobicContact CG2-CD1 3.81Å; L173-I177 HydrophobicContact CB-CD1 4.19Å; L173-I177 HydrophobicContact CD2-CD1 4.38Å; L173-L180 HydrophobicContact CD1-CD2 3.78Å; L173-L198 HydrophobicContact CB-CD1 4.34Å; L173-L198 HydrophobicContact CB-CD2 4.08Å; L173-L198 HydrophobicContact CD1-CD1 4.19Å
174	P	95.5	Very high	96.6	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.071	20%	0.204	C	C	.	.			trans	-68	137.6	-177.7	18.8	-22.4	0	0	0	111.4	F150 L156 T176 I177 L198	F150-P174 HydrophobicContact CB-CG 4.07Å; L156-P174 HydrophobicContact CB-CG 4.07Å; L156-P174 HydrophobicContact CD2-CG 3.89Å; L156-P174 HydrophobicContact CG-CG 4.45Å; P174-T176 PolarHBondContact O-N 3.41Å; P174-T176 VanDerWaalsContact O-N 3.12Å; P174-I177 HydrophobicContact CG-CD1 3.78Å; P174-I177 HydrophobicContact CG-CG1 3.81Å; P174-I177 WeakPolarHBondContact O-CG1 3.43Å; P174-I177 PolarHBondContact O-N 3.16Å; P174-L198 VanDerWaalsContact O-CD2 3.32Å; P174-L198 WeakPolarHBondContact O-CD2 3.39Å
175	R	95.3	Very high	96.7	Very high	192 Å²	192	41.7 Å²	41.7	73%	0.725	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.1	-176.3	-55.7	-179.4	-162.1	168.5	5.3	113.7	I177 S200	R175-I177 VanDerWaalsContact C-N 3.35Å; R175-S200 VanDerWaalsContact O-CB 3.32Å; R175-S200 WeakPolarHBondContact O-CB 3.41Å; R175-S200 PolarHBondContact O-OG 2.88Å
176	T	97.1	Very high	96.7	Very high	46 Å²	46	44.8 Å²	44.8	28%	0.282	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-9.3	179.4	50	0	0	0	0	113.6	N154 L156 P174 E178	N154-T176 WeakPolarHBondContact O-CG2 3.47Å; L156-T176 CarbonylContact O-C 3.42Å; L156-T176 VanDerWaalsContact O-C 3.26Å; L156-T176 WeakPolarHBondContact O-CB 3.28Å; L156-T176 PolarHBondContact O-OG1 3.49Å; P174-T176 PolarHBondContact O-N 3.41Å; P174-T176 VanDerWaalsContact O-N 3.12Å; T176-E178 PolarHBondContact O-N 3.19Å
177	I	97.9	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.213	C	C	.	.			trans	-58.5	128.8	179.5	-68	178.7	0	0	0	110.3	L156 R157 L159 L173 P174 R175 L180 S200 L201	L156-I177 PolarHBondContact O-N 3.24Å; R157-I177 WeakPolarHBondContact O-CA 3.41Å; L159-I177 HydrophobicContact CB-CD1 4.16Å; L159-I177 HydrophobicContact CD2-CD1 3.98Å; L173-I177 HydrophobicContact CB-CD1 4.19Å; L173-I177 HydrophobicContact CD2-CD1 4.38Å; P174-I177 HydrophobicContact CG-CD1 3.78Å; P174-I177 HydrophobicContact CG-CG1 3.81Å; P174-I177 WeakPolarHBondContact O-CG1 3.43Å; P174-I177 PolarHBondContact O-N 3.16Å; R175-I177 VanDerWaalsContact C-N 3.35Å; I177-L180 HydrophobicContact CG2-CB 4.08Å; I177-S200 CarbonylContact O-C 3.51Å; I177-L201 HydrophobicContact CG2-CD1 3.7Å; I177-L201 VanDerWaalsContact O-CA 3.23Å; I177-L201 WeakPolarHBondContact O-CA 3.24Å; I177-L201 PolarHBondContact O-N 3.08Å; I177-L201 VanDerWaalsContact O-N 3.1Å
178	E	98.4	Very high	96.7	Very high	40 Å²	40	44.4 Å²	44.4	19%	0.187	21%	0.21	C	C	.	.	S	Bend	trans	-105	-32.9	173.5	-63.6	-171.9	-156.6	0	0	111.8	R157 T176 K202 R203	R157-E178 HydrophobicContact CB-CG 4.43Å; R157-E178 IonicContact CZ-OE1 2.75Å; R157-E178 VanDerWaalsContact CZ-OE1 3.23Å; R157-E178 IonicContact NE-OE1 2.83Å; R157-E178 PolarHBondContact NE-OE1 3.13Å; R157-E178 IonicContact NH2-OE1 3.29Å; R157-E178 PolarHBondContact NH2-OE1 3.04Å; R157-E178 IonicContact NH2-OE2 2.85Å; R157-E178 PolarHBondContact NH2-OE2 2.88Å; R157-E178 VanDerWaalsContact NH2-OE2 3.1Å; R157-E178 PolarHBondContact O-N 3.45Å; T176-E178 PolarHBondContact O-N 3.19Å; E178-K202 HydrophobicContact CB-CD 4.43Å; E178-K202 WeakPolarHBondContact O-CA 3.48Å; E178-K202 WeakPolarHBondContact O-CB 3.18Å; E178-K202 PolarHBondContact O-N 3.39Å; E178-K202 IonicContact OE1-NZ 3.41Å; E178-K202 IonicContact OE2-NZ 3.83Å; E178-K202 PolarHBondContact OE2-NZ 3.2Å; E178-R203 PolarHBondContact O-N 3.47Å
179	E	98.7	Very high	96.7	Very high	33 Å²	33	46.2 Å²	46.2	15%	0.154	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	124.1	177.5	-170.8	167.3	171	0	0	110.8	R157 L158 L159 F160 R181 R203	R157-E179 PolarHBondContact O-N 3.45Å; R157-E179 VanDerWaalsContact O-N 3.11Å; L158-E179 HydrophobicContact CD2-CB 3.49Å; L158-E179 VanDerWaalsContact CD2-CB 3.49Å; L159-E179 PolarHBondContact N-O 2.92Å; F160-E179 HydrophobicContact CE1-CB 4.3Å; F160-E179 HydrophobicContact CE1-CG 3.86Å; E179-R181 HydrophobicContact CG-CG 4.32Å; E179-R181 IonicContact OE1-CZ 2.77Å; E179-R181 IonicContact OE1-NE 3.18Å; E179-R181 PolarHBondContact OE1-NE 2.88Å; E179-R181 IonicContact OE1-NH2 3.46Å; E179-R181 PolarHBondContact OE1-NH2 2.95Å; E179-R203 WeakPolarHBondContact CA-O 3.49Å; E179-R203 HydrophobicContact CB-CB 4.46Å; E179-R203 HydrophobicContact CG-CB 3.99Å; E179-R203 HydrophobicContact CG-CG 4.14Å; E179-R203 IonicContact OE1-CZ 3.19Å; E179-R203 IonicContact OE1-NE 3.9Å; E179-R203 IonicContact OE1-NH1 3.88Å; E179-R203 PolarHBondContact OE1-NH1 2.7Å
180	L	98.7	Very high	96.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.1	176.5	-177.6	58.4	0	0	0	108.9	L159 L173 I177 L182 L195 L201 R203 L204 V205	L159-L180 HydrophobicContact CB-CD1 4.16Å; L159-L180 HydrophobicContact CD2-CD1 4Å; L159-L180 HydrophobicContact CG-CD1 4.1Å; L173-L180 HydrophobicContact CD1-CD2 3.78Å; I177-L180 HydrophobicContact CG2-CB 4.08Å; L180-L182 HydrophobicContact CD1-CD1 4.25Å; L180-L182 HydrophobicContact CD1-CD2 4.41Å; L180-L182 HydrophobicContact CD1-CG 4.11Å; L180-L182 HydrophobicContact CD2-CD1 3.77Å; L180-L182 HydrophobicContact CD2-CG 4.49Å; L180-L182 HydrophobicContact CG-CD1 3.79Å; L180-L182 HydrophobicContact CG-CG 3.98Å; L180-L195 HydrophobicContact CD2-CD2 4.38Å; L180-L201 HydrophobicContact CB-CD1 3.81Å; L180-R203 PolarHBondContact N-O 2.87Å; L180-L204 HydrophobicContact CB-CD1 4.07Å; L180-L204 HydrophobicContact CD2-CD1 3.96Å; L180-L204 HydrophobicContact CG-CD1 4.11Å; L180-V205 PolarHBondContact O-N 2.81Å
181	R	98.8	Very high	96.7	Very high	77 Å²	77	47.6 Å²	47.6	29%	0.291	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.5	175.1	-63.2	-171.6	-173.4	171.2	10	110.5	L159 F160 L161 E179 V205	L159-R181 PolarHBondContact O-N 2.91Å; L159-R181 VanDerWaalsContact O-N 3.08Å; F160-R181 HydrophobicContact CB-CB 4.39Å; F160-R181 HydrophobicContact CD1-CB 3.84Å; F160-R181 HydrophobicContact CD1-CG 3.61Å; F160-R181 HydrophobicContact CE1-CG 3.97Å; F160-R181 HydrophobicContact CG-CB 4.4Å; F160-R181 HydrophobicContact CG-CG 4.43Å; L161-R181 PolarHBondContact N-O 2.93Å; E179-R181 HydrophobicContact CG-CG 4.32Å; E179-R181 IonicContact OE1-CZ 2.77Å; E179-R181 IonicContact OE1-NE 3.18Å; E179-R181 PolarHBondContact OE1-NE 2.88Å; E179-R181 IonicContact OE1-NH2 3.46Å; E179-R181 PolarHBondContact OE1-NH2 2.95Å; R181-V205 HydrophobicContact CG-CB 4.31Å; R181-V205 HydrophobicContact CG-CG2 4.19Å
182	L	98.4	Very high	96.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.			trans	-134.3	22	-176.7	-68	167.7	0	0	0	110.3	L161 L166 I169 L180 N185 I187 V205 L206 N209	L161-L182 HydrophobicContact CB-CD2 3.83Å; L161-L182 HydrophobicContact CD1-CD2 4.07Å; L166-L182 HydrophobicContact CD1-CD2 3.45Å; L166-L182 VanDerWaalsContact CD1-CD2 3.45Å; I169-L182 HydrophobicContact CD1-CD1 3.85Å; I169-L182 HydrophobicContact CG1-CD1 3.88Å; I169-L182 HydrophobicContact CG2-CD1 4.25Å; L180-L182 HydrophobicContact CD1-CD1 4.25Å; L180-L182 HydrophobicContact CD1-CD2 4.41Å; L180-L182 HydrophobicContact CD1-CG 4.11Å; L180-L182 HydrophobicContact CD2-CD1 3.77Å; L180-L182 HydrophobicContact CD2-CG 4.49Å; L180-L182 HydrophobicContact CG-CD1 3.79Å; L180-L182 HydrophobicContact CG-CG 3.98Å; L182-N185 PolarHBondContact O-ND2 2.74Å; L182-I187 HydrophobicContact CB-CD1 3.87Å; L182-I187 HydrophobicContact CD1-CD1 4.3Å; L182-I187 HydrophobicContact CD2-CD1 4.48Å; L182-I187 HydrophobicContact CG-CD1 4.47Å; L182-V205 PolarHBondContact N-O 2.92Å; L182-L206 HydrophobicContact CB-CD2 3.81Å; L182-L206 HydrophobicContact CD1-CD2 3.87Å; L182-N209 PolarHBondContact O-ND2 2.99Å
183	D	98.4	Very high	96.7	Very high	24 Å²	24	43.9 Å²	43.9	13%	0.128	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	154.4	-179.8	50.5	-73	0	0	0	112.9	S162 R163 N185 V205 D207	S162-D183 CarbonylContact C-O 3.52Å; S162-D183 VanDerWaalsContact CA-O 3.24Å; S162-D183 WeakPolarHBondContact CA-O 3.31Å; S162-D183 WeakPolarHBondContact CB-OD1 3.48Å; S162-D183 VanDerWaalsContact CB-OD2 3.31Å; S162-D183 WeakPolarHBondContact CB-OD2 3.47Å; S162-D183 PolarHBondContact OG-OD1 3.37Å; S162-D183 PolarHBondContact OG-OD2 3.16Å; R163-D183 PolarHBondContact N-O 3.13Å; D183-N185 VanDerWaalsContact C-N 3.26Å; D183-N185 PolarHBondContact O-N 2.93Å; D183-N185 PolarHBondContact O-ND2 3.32Å; D183-N185 VanDerWaalsContact O-ND2 3.08Å; D183-V205 HydrophobicContact CB-CG1 4Å; D183-D207 CarbonylContact C-O 3.56Å; D183-D207 WeakPolarHBondContact CA-O 3.5Å; D183-D207 HydrophobicContact CB-CB 4.07Å; D183-D207 WeakPolarHBondContact CB-O 3.09Å
184	D	98.5	Very high	96.6	Very high	50 Å²	50	43.3 Å²	43.3	27%	0.267	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	40.2	177.8	-61.5	-35.7	0	0	0	113.5	R163 D207 G208 R234	R163-D184 WeakPolarHBondContact CA-O 3.31Å; R163-D184 HydrophobicContact CG-CB 3.59Å; D184-D207 PolarHBondContact N-O 3.08Å; D184-G208 WeakPolarHBondContact CA-O 3.23Å; D184-R234 IonicContact OD1-CZ 2.78Å; D184-R234 VanDerWaalsContact OD1-CZ 3.24Å; D184-R234 IonicContact OD1-NH1 3.68Å; D184-R234 PolarHBondContact OD1-NH1 3.15Å; D184-R234 IonicContact OD1-NH2 3.92Å; D184-R234 PolarHBondContact OD1-NH2 2.77Å
185	N	98.6	Very high	96.6	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.048	21%	0.214	C	C	.	.	S	Bend	trans	-103.5	-165.2	172.1	-85.2	-87.2	0	0	0	110.8	L161 N164 H165 L166 L182 D183 I187 N209	L161-N185 PolarHBondContact O-ND2 3.39Å; N164-N185 VanDerWaalsContact CA-OD1 3.24Å; N164-N185 WeakPolarHBondContact CA-OD1 3.22Å; N164-N185 WeakPolarHBondContact CB-OD1 3.34Å; N164-N185 PolarHBondContact N-OD1 2.77Å; N164-N185 PolarHBondContact O-OD1 3.05Å; H165-N185 PolarHBondContact N-OD1 2.89Å; L166-N185 HydrophobicContact CB-CB 4.23Å; L166-N185 WeakPolarHBondContact CB-OD1 3.24Å; L166-N185 WeakPolarHBondContact CG-OD1 3.49Å; L166-N185 PolarHBondContact N-OD1 2.92Å; L166-N185 VanDerWaalsContact N-OD1 3.11Å; L182-N185 PolarHBondContact O-ND2 2.74Å; D183-N185 VanDerWaalsContact C-N 3.26Å; D183-N185 PolarHBondContact O-N 2.93Å; D183-N185 PolarHBondContact O-ND2 3.32Å; D183-N185 VanDerWaalsContact O-ND2 3.08Å; N185-I187 HydrophobicContact CB-CD1 4.21Å; N185-I187 HydrophobicContact CB-CG1 3.96Å; N185-N209 WeakPolarHBondContact CA-OD1 3.19Å; N185-N209 WeakPolarHBondContact CB-OD1 3.19Å; N185-N209 PolarHBondContact N-OD1 3.1Å; N185-N209 PolarHBondContact O-OD1 2.85Å
186	R	97.9	Very high	96.2	Very high	147 Å²	147	39.9 Å²	39.9	56%	0.555	21%	0.209	S	C	*	.			trans	-115.4	30.3	177.3	-57.4	179.3	-173.4	170.2	4.2	111.1	L166 S167 S188 N209 L210	L166-R186 CarbonylContact O-C 3.1Å; L166-R186 VanDerWaalsContact O-CA 3.29Å; L166-R186 WeakPolarHBondContact O-CA 3.12Å; L166-R186 PolarHBondContact O-N 3.19Å; S167-R186 WeakPolarHBondContact CA-O 3.48Å; R186-S188 PolarHBondContact O-N 2.97Å; R186-N209 PolarHBondContact N-OD1 3.18Å; R186-L210 HydrophobicContact CB-CD1 4.16Å
187	I	98.4	Very high	95.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.			trans	-68.3	117.6	-173.9	-58.4	172.1	0	0	0	108.6	L166 S167 I169 L182 N185 T189 I190 L206 N209 L210 L211	L166-I187 HydrophobicContact CB-CG1 4.13Å; L166-I187 PolarHBondContact O-N 2.85Å; L166-I187 VanDerWaalsContact O-N 3.12Å; S167-I187 WeakPolarHBondContact O-CA 3.13Å; I169-I187 HydrophobicContact CG1-CD1 4.4Å; L182-I187 HydrophobicContact CB-CD1 3.87Å; L182-I187 HydrophobicContact CD1-CD1 4.3Å; L182-I187 HydrophobicContact CD2-CD1 4.48Å; L182-I187 HydrophobicContact CG-CD1 4.47Å; N185-I187 HydrophobicContact CB-CD1 4.21Å; N185-I187 HydrophobicContact CB-CG1 3.96Å; I187-T189 WeakPolarHBondContact CG2-O 3.31Å; I187-I190 HydrophobicContact CG2-CG1 4.19Å; I187-L206 HydrophobicContact CD1-CD2 3.93Å; I187-N209 HydrophobicContact CB-CB 4.22Å; I187-N209 VanDerWaalsContact CB-OD1 3.24Å; I187-N209 WeakPolarHBondContact CB-OD1 3.42Å; I187-N209 VanDerWaalsContact CG1-OD1 3.31Å; I187-N209 WeakPolarHBondContact CG1-OD1 3.42Å; I187-N209 PolarHBondContact N-OD1 2.9Å; I187-L210 CarbonylContact O-C 3.5Å; I187-L210 VanDerWaalsContact O-C 3.23Å; I187-L210 WeakPolarHBondContact O-CA 3.42Å; I187-L210 PolarHBondContact O-N 2.92Å; I187-L211 HydrophobicContact CG2-CD2 3.83Å; I187-L211 HydrophobicContact CG2-CG 4.43Å; I187-L211 PolarHBondContact O-N 3.02Å
188	S	97.6	Very high	95.7	Very high	48 Å²	48	39 Å²	39	34%	0.336	21%	0.209	S	C	.	.			trans	-108.2	-22.6	177.3	56.9	0	0	0	0	112.9	S167 R186 G215	S167-S188 PolarHBondContact O-N 2.88Å; R186-S188 PolarHBondContact O-N 2.97Å; S188-G215 WeakPolarHBondContact O-CA 3.46Å
189	T	97.1	Very high	95.6	Very high	69 Å²	69	40.2 Å²	40.2	42%	0.423	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-135.5	147.5	-178.8	61.4	0	0	0	0	111.6	T168 I187 G215	T168-T189 PolarHBondContact OG1-O 3.21Å; I187-T189 WeakPolarHBondContact CG2-O 3.31Å; T189-G215 CarbonylContact C-O 3.16Å; T189-G215 VanDerWaalsContact CA-O 3.31Å; T189-G215 WeakPolarHBondContact CA-O 3.34Å
190	I	97	Very high	95.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-130.2	112.8	173.3	-57.7	178.2	0	0	0	107.2	I169 I187 L195 L206 L211 G215 L216 G217 V220 F221	I169-I190 HydrophobicContact CD1-CD1 4.07Å; I169-I190 HydrophobicContact CD1-CG1 4.06Å; I169-I190 HydrophobicContact CD1-CG2 3.92Å; I169-I190 HydrophobicContact CG1-CG1 4.27Å; I187-I190 HydrophobicContact CG2-CG1 4.19Å; I190-L195 HydrophobicContact CG2-CD1 3.87Å; I190-L195 HydrophobicContact CG2-CG 4.33Å; I190-L206 HydrophobicContact CD1-CD1 3.69Å; I190-L206 HydrophobicContact CD1-CD2 4.43Å; I190-L211 HydrophobicContact CD1-CD1 3.86Å; I190-L211 HydrophobicContact CD1-CD2 3.84Å; I190-L211 HydrophobicContact CG1-CD2 3.75Å; I190-G215 PolarHBondContact N-O 2.75Å; I190-L216 HydrophobicContact CD1-CD2 3.86Å; I190-L216 HydrophobicContact CG1-CD2 4.44Å; I190-G217 PolarHBondContact O-N 3.08Å; I190-V220 HydrophobicContact CG2-CB 4.23Å; I190-V220 HydrophobicContact CG2-CG1 4.14Å; I190-V220 WeakPolarHBondContact O-CG1 3.24Å; I190-F221 HydrophobicContact CD1-CZ 4.21Å
191	S	92.9	Very high	95.5	Very high	34 Å²	34	40.5 Å²	40.5	24%	0.238	22%	0.224	C	C	.	.			trans	-84	145	176.7	67	0	0	0	0	110.9	W171 P193 S194	W171-S191 PolarHBondContact NE1-OG 3.26Å; W171-S191 VanDerWaalsContact NE1-OG 3.1Å; S191-P193 VanDerWaalsContact C-CD 3.46Å; S191-P193 VanDerWaalsContact C-N 3.33Å; S191-S194 WeakPolarHBondContact O-CB 3.16Å; S191-S194 PolarHBondContact O-N 3.03Å; S191-S194 PolarHBondContact O-OG 3.09Å
192	S	90.2	Very high	95.5	Very high	46 Å²	46	41 Å²	41	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-55.8	-39.5	178.8	-44.8	0	0	0	0	113.6	S194 Q196 D218	S192-S194 VanDerWaalsContact C-N 3.28Å; S192-S194 PolarHBondContact O-N 2.84Å; S192-Q196 WeakPolarHBondContact O-CB 3.35Å; S192-Q196 PolarHBondContact O-N 3.03Å; S192-D218 PolarHBondContact OG-O 2.91Å
193	P	90.7	Very high	95.6	Very high	78 Å²	78	44.5 Å²	44.5	51%	0.506	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-26.7	176.4	-24.4	35.8	0	0	0	114.8	S191 L195 Q196	S191-P193 VanDerWaalsContact C-CD 3.46Å; S191-P193 VanDerWaalsContact C-N 3.33Å; P193-L195 VanDerWaalsContact C-N 3.3Å; P193-L195 PolarHBondContact O-N 2.98Å; P193-Q196 PolarHBondContact O-N 3.46Å
194	S	92.8	Very high	95.6	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-32.8	-176.2	67.8	0	0	0	0	113.4	S191 S192	S191-S194 WeakPolarHBondContact O-CB 3.16Å; S191-S194 PolarHBondContact O-N 3.03Å; S191-S194 PolarHBondContact O-OG 3.09Å; S192-S194 VanDerWaalsContact C-N 3.28Å; S192-S194 PolarHBondContact O-N 2.84Å
195	L	94.3	Very high	95.6	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-107.3	0.2	178.3	-63.3	178.7	0	0	0	112.6	I169 L180 I190 P193 G197 L198 L204 F221 L224	I169-L195 HydrophobicContact CD1-CD1 4.15Å; I169-L195 HydrophobicContact CD1-CD2 3.9Å; I169-L195 HydrophobicContact CD1-CG 4.13Å; I169-L195 HydrophobicContact CG2-CD2 4.25Å; L180-L195 HydrophobicContact CD2-CD2 4.38Å; I190-L195 HydrophobicContact CG2-CD1 3.87Å; I190-L195 HydrophobicContact CG2-CG 4.33Å; P193-L195 VanDerWaalsContact C-N 3.3Å; P193-L195 PolarHBondContact O-N 2.98Å; L195-G197 PolarHBondContact O-N 2.73Å; L195-L198 HydrophobicContact CD2-CD1 3.8Å; L195-L198 PolarHBondContact O-N 3.23Å; L195-L204 HydrophobicContact CD1-CD2 4.1Å; L195-F221 HydrophobicContact CD1-CD1 3.94Å; L195-F221 HydrophobicContact CD1-CE1 3.83Å; L195-L224 HydrophobicContact CB-CD2 4.38Å; L195-L224 HydrophobicContact CD1-CD1 4.41Å
196	Q	88.5	Confident	95.6	Very high	129 Å²	129	40.9 Å²	40.9	60%	0.603	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	130.4	-177.4	-173.5	173.4	1.8	0	0	110.8	S192 P193 L198	S192-Q196 WeakPolarHBondContact O-CB 3.35Å; S192-Q196 PolarHBondContact O-N 3.03Å; P193-Q196 PolarHBondContact O-N 3.46Å; Q196-L198 VanDerWaalsContact C-N 3.29Å; Q196-L198 PolarHBondContact O-N 3.49Å
197	G	88.5	Confident	95.6	Very high	26 Å²	26	35.3 Å²	35.3	27%	0.268	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	-2.8	176.9	0	0	0	0	0	115	L195 T199	L195-G197 PolarHBondContact O-N 2.73Å; G197-T199 PolarHBondContact O-N 2.84Å
198	L	95.9	Very high	95.6	Very high	3 Å²	3	36 Å²	36	2%	0.016	21%	0.211	C	C	.	.			trans	-74.1	56	172	-58	-174.1	0	0	0	111.6	L173 P174 L195 Q196 S200 L201 L224	L173-L198 HydrophobicContact CB-CD1 4.34Å; L173-L198 HydrophobicContact CB-CD2 4.08Å; L173-L198 HydrophobicContact CD1-CD1 4.19Å; P174-L198 VanDerWaalsContact O-CD2 3.32Å; P174-L198 WeakPolarHBondContact O-CD2 3.39Å; L195-L198 HydrophobicContact CD2-CD1 3.8Å; L195-L198 PolarHBondContact O-N 3.23Å; Q196-L198 VanDerWaalsContact C-N 3.29Å; Q196-L198 PolarHBondContact O-N 3.49Å; L198-S200 PolarHBondContact O-N 3.4Å; L198-L201 HydrophobicContact CB-CB 4.21Å; L198-L201 VanDerWaalsContact O-CB 3.3Å; L198-L201 WeakPolarHBondContact O-CB 3.44Å; L198-L201 PolarHBondContact O-N 3.04Å; L198-L224 HydrophobicContact CB-CD2 3.91Å; L198-L224 WeakPolarHBondContact O-CD2 3.29Å
199	T	95.9	Very high	95.7	Very high	64 Å²	64	34 Å²	34	39%	0.393	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.6	-175.5	53.4	0	0	0	0	113.3	G197 V225 N226	G197-T199 PolarHBondContact O-N 2.84Å; T199-V225 HydrophobicContact CG2-CG2 4.27Å; T199-N226 VanDerWaalsContact O-CB 3.28Å; T199-N226 WeakPolarHBondContact O-CB 3.48Å; T199-N226 PolarHBondContact O-ND2 3.1Å
200	S	97.6	Very high	95.7	Very high	39 Å²	39	35.5 Å²	35.5	27%	0.273	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.9	175.7	-49	0	0	0	0	113.5	R175 I177 L198 K202	R175-S200 VanDerWaalsContact O-CB 3.32Å; R175-S200 WeakPolarHBondContact O-CB 3.41Å; R175-S200 PolarHBondContact O-OG 2.88Å; I177-S200 CarbonylContact O-C 3.51Å; L198-S200 PolarHBondContact O-N 3.4Å; S200-K202 PolarHBondContact O-N 3.31Å
201	L	98.5	Very high	95.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.201	C	C	.	.			trans	-65.6	123.6	-173.7	-173.4	68	0	0	0	110.6	I177 L180 L198 L204 L224 N226 L227	I177-L201 HydrophobicContact CG2-CD1 3.7Å; I177-L201 VanDerWaalsContact O-CA 3.23Å; I177-L201 WeakPolarHBondContact O-CA 3.24Å; I177-L201 PolarHBondContact O-N 3.08Å; I177-L201 VanDerWaalsContact O-N 3.1Å; L180-L201 HydrophobicContact CB-CD1 3.81Å; L198-L201 HydrophobicContact CB-CB 4.21Å; L198-L201 VanDerWaalsContact O-CB 3.3Å; L198-L201 WeakPolarHBondContact O-CB 3.44Å; L198-L201 PolarHBondContact O-N 3.04Å; L201-L204 HydrophobicContact CD2-CB 4.12Å; L201-L204 HydrophobicContact CD2-CD1 4.44Å; L201-L204 HydrophobicContact CD2-CD2 4.37Å; L201-L224 HydrophobicContact CD2-CD1 4.14Å; L201-L224 HydrophobicContact CD2-CD2 4.07Å; L201-N226 CarbonylContact O-C 3.21Å; L201-L227 HydrophobicContact CD2-CD1 4.29Å; L201-L227 HydrophobicContact CG-CD1 4.15Å; L201-L227 VanDerWaalsContact O-CA 3.23Å; L201-L227 WeakPolarHBondContact O-CA 3.44Å; L201-L227 PolarHBondContact O-N 3.37Å
202	K	98.4	Very high	96	Very high	88 Å²	88	36.6 Å²	36.6	38%	0.383	21%	0.205	S	C	.	.			trans	-107.2	-33.5	-179.8	-64.1	173.3	-172	163.1	0	112.1	E178 S200 N226 T228 E229	E178-K202 HydrophobicContact CB-CD 4.43Å; E178-K202 WeakPolarHBondContact O-CA 3.48Å; E178-K202 WeakPolarHBondContact O-CB 3.18Å; E178-K202 PolarHBondContact O-N 3.39Å; E178-K202 IonicContact OE1-NZ 3.41Å; E178-K202 IonicContact OE2-NZ 3.83Å; E178-K202 PolarHBondContact OE2-NZ 3.2Å; S200-K202 PolarHBondContact O-N 3.31Å; K202-N226 WeakPolarHBondContact CA-O 3.41Å; K202-T228 HydrophobicContact CB-CG2 4.44Å; K202-T228 WeakPolarHBondContact O-CA 3.45Å; K202-T228 PolarHBondContact O-N 3.29Å; K202-T228 PolarHBondContact O-OG1 3.03Å; K202-E229 PolarHBondContact O-N 3.21Å
203	R	98.8	Very high	96.2	Very high	73 Å²	73	36.1 Å²	36.1	28%	0.275	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	122.6	-176.9	-179.2	170.6	-168.4	-136.5	3.3	110.7	E178 E179 L180 V205 E229	E178-R203 PolarHBondContact O-N 3.47Å; E179-R203 WeakPolarHBondContact CA-O 3.49Å; E179-R203 HydrophobicContact CB-CB 4.46Å; E179-R203 HydrophobicContact CG-CB 3.99Å; E179-R203 HydrophobicContact CG-CG 4.14Å; E179-R203 IonicContact OE1-CZ 3.19Å; E179-R203 IonicContact OE1-NE 3.9Å; E179-R203 IonicContact OE1-NH1 3.88Å; E179-R203 PolarHBondContact OE1-NH1 2.7Å; L180-R203 PolarHBondContact N-O 2.87Å; R203-V205 HydrophobicContact CG-CG2 4.07Å; R203-E229 WeakPolarHBondContact CA-O 3.48Å; R203-E229 HydrophobicContact CB-CB 4.46Å; R203-E229 HydrophobicContact CG-CB 4.16Å; R203-E229 HydrophobicContact CG-CG 4.36Å; R203-E229 IonicContact CZ-OE1 3.77Å; R203-E229 IonicContact NE-OE1 3.8Å; R203-E229 PolarHBondContact NE-OE1 3.23Å; R203-E229 IonicContact NH2-OE1 2.76Å; R203-E229 PolarHBondContact NH2-OE1 3.41Å
204	L	98.7	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117.5	176.9	-179.5	57.2	0	0	0	109.3	L180 L195 L201 L206 F221 L224 L227 E229 L230 S231	L180-L204 HydrophobicContact CB-CD1 4.07Å; L180-L204 HydrophobicContact CD2-CD1 3.96Å; L180-L204 HydrophobicContact CG-CD1 4.11Å; L195-L204 HydrophobicContact CD1-CD2 4.1Å; L201-L204 HydrophobicContact CD2-CB 4.12Å; L201-L204 HydrophobicContact CD2-CD1 4.44Å; L201-L204 HydrophobicContact CD2-CD2 4.37Å; L204-L206 HydrophobicContact CD1-CD1 4.22Å; L204-L206 HydrophobicContact CD1-CG 4.16Å; L204-L206 HydrophobicContact CD2-CD1 3.9Å; L204-L206 HydrophobicContact CG-CD1 3.92Å; L204-L206 HydrophobicContact CG-CG 4.18Å; L204-F221 HydrophobicContact CD2-CD1 4.07Å; L204-F221 HydrophobicContact CD2-CE1 3.81Å; L204-L224 HydrophobicContact CD2-CD1 4.27Å; L204-L227 HydrophobicContact CB-CD1 3.87Å; L204-E229 PolarHBondContact N-O 3.22Å; L204-L230 HydrophobicContact CB-CD1 4.16Å; L204-L230 HydrophobicContact CD2-CD1 3.97Å; L204-L230 HydrophobicContact CG-CD1 4.12Å; L204-S231 PolarHBondContact O-N 2.94Å
205	V	98.8	Very high	96.6	Very high	8 Å²	8	41 Å²	41	5%	0.048	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.9	179.6	-171.1	0	0	0	0	108.9	L180 R181 L182 D183 R203 D207	L180-V205 PolarHBondContact O-N 2.81Å; R181-V205 HydrophobicContact CG-CB 4.31Å; R181-V205 HydrophobicContact CG-CG2 4.19Å; L182-V205 PolarHBondContact N-O 2.92Å; D183-V205 HydrophobicContact CB-CG1 4Å; R203-V205 HydrophobicContact CG-CG2 4.07Å; V205-D207 HydrophobicContact CG1-CB 4.3Å
206	L	98.6	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.			trans	-125.9	27.1	-178.6	-74.6	163.3	0	0	0	110.9	I169 L182 I187 I190 L204 N209 L211 F221 S231 L232 N235	I169-L206 HydrophobicContact CD1-CD2 4.1Å; L182-L206 HydrophobicContact CB-CD2 3.81Å; L182-L206 HydrophobicContact CD1-CD2 3.87Å; I187-L206 HydrophobicContact CD1-CD2 3.93Å; I190-L206 HydrophobicContact CD1-CD1 3.69Å; I190-L206 HydrophobicContact CD1-CD2 4.43Å; L204-L206 HydrophobicContact CD1-CD1 4.22Å; L204-L206 HydrophobicContact CD1-CG 4.16Å; L204-L206 HydrophobicContact CD2-CD1 3.9Å; L204-L206 HydrophobicContact CG-CD1 3.92Å; L204-L206 HydrophobicContact CG-CG 4.18Å; L206-N209 PolarHBondContact O-ND2 3.06Å; L206-L211 HydrophobicContact CB-CD1 4.15Å; L206-L211 HydrophobicContact CD1-CD1 4.39Å; L206-F221 HydrophobicContact CD1-CE1 4.29Å; L206-F221 HydrophobicContact CD1-CZ 4.44Å; L206-S231 PolarHBondContact N-O 3.46Å; L206-L232 HydrophobicContact CB-CD2 3.8Å; L206-L232 HydrophobicContact CD1-CD2 3.92Å; L206-N235 PolarHBondContact O-ND2 2.83Å
207	D	98.6	Very high	96.8	Very high	29 Å²	29	37.2 Å²	37.2	16%	0.155	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	151.9	-174	-61.5	-15.2	0	0	0	111.7	D183 D184 V205 N209 S231 L232 V233	D183-D207 CarbonylContact C-O 3.56Å; D183-D207 WeakPolarHBondContact CA-O 3.5Å; D183-D207 HydrophobicContact CB-CB 4.07Å; D183-D207 WeakPolarHBondContact CB-O 3.09Å; D184-D207 PolarHBondContact N-O 3.08Å; V205-D207 HydrophobicContact CG1-CB 4.3Å; D207-N209 VanDerWaalsContact C-N 3.31Å; D207-N209 PolarHBondContact O-N 2.94Å; D207-N209 PolarHBondContact O-ND2 3.11Å; D207-N209 VanDerWaalsContact O-ND2 3.16Å; D207-S231 WeakPolarHBondContact OD1-CB 3.43Å; D207-S231 PolarHBondContact OD1-OG 3.08Å; D207-S231 PolarHBondContact OD2-OG 3.36Å; D207-L232 PolarHBondContact OD1-N 3.38Å; D207-V233 CarbonylContact C-O 3.53Å; D207-V233 WeakPolarHBondContact CA-O 3.45Å; D207-V233 HydrophobicContact CB-CB 4.15Å; D207-V233 WeakPolarHBondContact OD1-CB 3.48Å; D207-V233 PolarHBondContact OD1-N 3.49Å
208	G	98.4	Very high	96.9	Very high	15 Å²	15	42.6 Å²	42.6	16%	0.155	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	31.8	173.1	0	0	0	0	0	114.5	D184 V233 R234	D184-G208 WeakPolarHBondContact CA-O 3.23Å; G208-V233 PolarHBondContact N-O 3.12Å; G208-R234 CarbonylContact C-O 3.55Å; G208-R234 WeakPolarHBondContact CA-O 3.18Å; G208-R234 PolarHBondContact N-O 3.17Å
209	N	98.7	Very high	96.7	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.032	25%	0.254	C	S	.	.	S	Bend	trans	-107.3	-177.5	178.3	-82.9	-76.9	0	0	0	111.8	L182 N185 R186 I187 L206 D207 L211 R234 N235	L182-N209 PolarHBondContact O-ND2 2.99Å; N185-N209 WeakPolarHBondContact CA-OD1 3.19Å; N185-N209 WeakPolarHBondContact CB-OD1 3.19Å; N185-N209 PolarHBondContact N-OD1 3.1Å; N185-N209 PolarHBondContact O-OD1 2.85Å; R186-N209 PolarHBondContact N-OD1 3.18Å; I187-N209 HydrophobicContact CB-CB 4.22Å; I187-N209 VanDerWaalsContact CB-OD1 3.24Å; I187-N209 WeakPolarHBondContact CB-OD1 3.42Å; I187-N209 VanDerWaalsContact CG1-OD1 3.31Å; I187-N209 WeakPolarHBondContact CG1-OD1 3.42Å; I187-N209 PolarHBondContact N-OD1 2.9Å; L206-N209 PolarHBondContact O-ND2 3.06Å; D207-N209 VanDerWaalsContact C-N 3.31Å; D207-N209 PolarHBondContact O-N 2.94Å; D207-N209 PolarHBondContact O-ND2 3.11Å; D207-N209 VanDerWaalsContact O-ND2 3.16Å; N209-L211 HydrophobicContact CB-CD1 4.41Å; N209-L211 HydrophobicContact CB-CG 4.23Å; N209-R234 PolarHBondContact N-O 3.48Å; N209-N235 WeakPolarHBondContact CA-OD1 3.29Å; N209-N235 WeakPolarHBondContact CB-OD1 3.41Å; N209-N235 PolarHBondContact N-OD1 2.88Å; N209-N235 PolarHBondContact O-OD1 2.85Å; N209-N235 VanDerWaalsContact O-OD1 3.12Å
210	L	98.2	Very high	96.7	Very high	100 Å²	100	45.9 Å²	45.9	52%	0.524	24%	0.238	S	C	.	.			trans	-101	26.3	-179.5	-56.7	176.5	0	0	0	111.6	R186 I187	R186-L210 HydrophobicContact CB-CD1 4.16Å; I187-L210 CarbonylContact O-C 3.5Å; I187-L210 VanDerWaalsContact O-C 3.23Å; I187-L210 WeakPolarHBondContact O-CA 3.42Å; I187-L210 PolarHBondContact O-N 2.92Å
211	L	98.2	Very high	96.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.			trans	-72.6	135.8	-175.3	-65.1	167	0	0	0	111.2	I187 I190 L206 N209 L216 L232 N235 S236 L237	I187-L211 HydrophobicContact CG2-CD2 3.83Å; I187-L211 HydrophobicContact CG2-CG 4.43Å; I187-L211 PolarHBondContact O-N 3.02Å; I190-L211 HydrophobicContact CD1-CD1 3.86Å; I190-L211 HydrophobicContact CD1-CD2 3.84Å; I190-L211 HydrophobicContact CG1-CD2 3.75Å; L206-L211 HydrophobicContact CB-CD1 4.15Å; L206-L211 HydrophobicContact CD1-CD1 4.39Å; N209-L211 HydrophobicContact CB-CD1 4.41Å; N209-L211 HydrophobicContact CB-CG 4.23Å; L211-L216 HydrophobicContact CD2-CD2 4.39Å; L211-L232 HydrophobicContact CD1-CD2 3.87Å; L211-N235 HydrophobicContact CB-CB 4.33Å; L211-N235 VanDerWaalsContact CB-OD1 3.24Å; L211-N235 WeakPolarHBondContact CB-OD1 3.41Å; L211-N235 PolarHBondContact N-OD1 3.19Å; L211-N235 VanDerWaalsContact N-OD1 3.13Å; L211-S236 CarbonylContact O-C 3.55Å; L211-S236 VanDerWaalsContact O-CA 3.23Å; L211-S236 WeakPolarHBondContact O-CA 3.41Å; L211-S236 WeakPolarHBondContact O-CB 3.33Å; L211-S236 PolarHBondContact O-N 2.75Å; L211-L237 PolarHBondContact O-N 2.85Å
212	N	97.1	Very high	96.4	Very high	59 Å²	59	49.2 Å²	49.2	32%	0.316	25%	0.248	S	C	.	.			trans	-126.1	171.7	167.1	67.2	46	0	0	0	109.1	H214 G215 L216	N212-H214 PolarHBondContact O-N 2.85Å; N212-H214 WeakPolarHBondContact OD1-CA 3.28Å; N212-H214 WeakPolarHBondContact OD1-CB 3.35Å; N212-H214 PolarHBondContact OD1-N 3.01Å; N212-G215 PolarHBondContact O-N 3.22Å; N212-G215 VanDerWaalsContact O-N 3.07Å; N212-G215 PolarHBondContact OD1-N 2.74Å; N212-L216 PolarHBondContact O-N 2.72Å
213	N	96.1	Very high	96.2	Very high	36 Å²	36	48.9 Å²	48.9	19%	0.193	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.8	-178.1	-63.9	94.2	0	0	0	114.3	T238 A239	N213-T238 WeakPolarHBondContact OD1-CA 3.23Å; N213-T238 PolarHBondContact OD1-N 3.4Å; N213-T238 PolarHBondContact OD1-OG1 2.66Å; N213-A239 PolarHBondContact ND2-O 2.68Å; N213-A239 PolarHBondContact OD1-N 2.88Å
214	H	95.4	Very high	96.1	Very high	177 Å²	177	45.5 Å²	45.5	82%	0.819	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-26.8	177.1	-53	99.3	0	0	0	112	N212 L216	N212-H214 PolarHBondContact O-N 2.85Å; N212-H214 WeakPolarHBondContact OD1-CA 3.28Å; N212-H214 WeakPolarHBondContact OD1-CB 3.35Å; N212-H214 PolarHBondContact OD1-N 3.01Å; H214-L216 VanDerWaalsContact C-N 3.26Å
215	G	95	Very high	95.9	Very high	7 Å²	7	48.3 Å²	48.3	7%	0.072	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.9	174.8	0	0	0	0	0	113.4	S188 T189 I190 N212 G217	S188-G215 WeakPolarHBondContact O-CA 3.46Å; T189-G215 CarbonylContact C-O 3.16Å; T189-G215 VanDerWaalsContact CA-O 3.31Å; T189-G215 WeakPolarHBondContact CA-O 3.34Å; I190-G215 PolarHBondContact N-O 2.75Å; N212-G215 PolarHBondContact O-N 3.22Å; N212-G215 VanDerWaalsContact O-N 3.07Å; N212-G215 PolarHBondContact OD1-N 2.74Å; G215-G217 PolarHBondContact O-N 2.75Å
216	L	96.1	Very high	95.9	Very high	24 Å²	24	51.2 Å²	51.2	13%	0.126	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-84.5	112.7	175.3	-59.7	179.3	0	0	0	109.5	I190 L211 N212 H214 F221 L237 P241	I190-L216 HydrophobicContact CD1-CD2 3.86Å; I190-L216 HydrophobicContact CG1-CD2 4.44Å; L211-L216 HydrophobicContact CD2-CD2 4.39Å; N212-L216 PolarHBondContact O-N 2.72Å; H214-L216 VanDerWaalsContact C-N 3.26Å; L216-F221 HydrophobicContact CD1-CE2 4.44Å; L216-F221 HydrophobicContact CD2-CE2 4.16Å; L216-F221 HydrophobicContact CD2-CZ 4.07Å; L216-L237 HydrophobicContact CD1-CD2 3.98Å; L216-P241 HydrophobicContact CD1-CB 4.16Å
217	G	92.3	Very high	95.8	Very high	27 Å²	27	51.2 Å²	51.2	28%	0.278	27%	0.27	S	S	.	.			trans	-61.9	162.9	172.2	0	0	0	0	0	113.2	I190 G215 K219 V220	I190-G217 PolarHBondContact O-N 3.08Å; G215-G217 PolarHBondContact O-N 2.75Å; G217-K219 PolarHBondContact O-N 2.98Å; G217-V220 VanDerWaalsContact C-CG1 3.47Å; G217-V220 VanDerWaalsContact CA-CG1 3.49Å; G217-V220 WeakPolarHBondContact O-CG1 3.34Å; G217-V220 WeakPolarHBondContact O-CG2 3.45Å; G217-V220 PolarHBondContact O-N 3.04Å
218	D	90.2	Very high	95.8	Very high	140 Å²	140	51.9 Å²	51.9	75%	0.749	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	129.1	178.7	-70.1	-35.4	0	0	0	111.3	S192 V220	S192-D218 PolarHBondContact OG-O 2.91Å; D218-V220 PolarHBondContact O-N 2.79Å
219	K	91.9	Very high	95.9	Very high	126 Å²	126	52 Å²	52	55%	0.548	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	27	175.7	-59.9	-179.4	-177.7	178	0	113.9	G217 F221 F222 N243	G217-K219 PolarHBondContact O-N 2.98Å; K219-F221 PolarHBondContact O-N 2.9Å; K219-F221 VanDerWaalsContact O-N 3.14Å; K219-F222 HydrophobicContact CB-CB 3.77Å; K219-F222 HydrophobicContact CB-CG 4.45Å; K219-F222 HydrophobicContact CG-CB 4.43Å; K219-F222 WeakPolarHBondContact O-CB 3.07Å; K219-F222 PolarHBondContact O-N 2.99Å; K219-N243 HydrophobicContact CG-CB 4.15Å
220	V	95.3	Very high	95.9	Very high	10 Å²	10	51.7 Å²	51.7	6%	0.061	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-35	-178	-73.4	0	0	0	0	113.6	I190 G217 D218	I190-V220 HydrophobicContact CG2-CB 4.23Å; I190-V220 HydrophobicContact CG2-CG1 4.14Å; I190-V220 WeakPolarHBondContact O-CG1 3.24Å; G217-V220 VanDerWaalsContact C-CG1 3.47Å; G217-V220 VanDerWaalsContact CA-CG1 3.49Å; G217-V220 WeakPolarHBondContact O-CG1 3.34Å; G217-V220 WeakPolarHBondContact O-CG2 3.45Å; G217-V220 PolarHBondContact O-N 3.04Å; D218-V220 PolarHBondContact O-N 2.79Å
221	F	96	Very high	95.9	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.018	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-11.1	-179.5	-53.1	-58.9	0	0	0	113.7	I190 L195 L204 L206 L216 K219 N223 L224 L230 L244 P245	I190-F221 HydrophobicContact CD1-CZ 4.21Å; L195-F221 HydrophobicContact CD1-CD1 3.94Å; L195-F221 HydrophobicContact CD1-CE1 3.83Å; L204-F221 HydrophobicContact CD2-CD1 4.07Å; L204-F221 HydrophobicContact CD2-CE1 3.81Å; L206-F221 HydrophobicContact CD1-CE1 4.29Å; L206-F221 HydrophobicContact CD1-CZ 4.44Å; L216-F221 HydrophobicContact CD1-CE2 4.44Å; L216-F221 HydrophobicContact CD2-CE2 4.16Å; L216-F221 HydrophobicContact CD2-CZ 4.07Å; K219-F221 PolarHBondContact O-N 2.9Å; K219-F221 VanDerWaalsContact O-N 3.14Å; F221-N223 VanDerWaalsContact C-N 3.3Å; F221-N223 PolarHBondContact O-N 2.77Å; F221-L224 HydrophobicContact CB-CD1 4.23Å; F221-L224 HydrophobicContact CD1-CD1 3.94Å; F221-L224 WeakPolarHBondContact O-CB 3.36Å; F221-L224 WeakPolarHBondContact O-CG 3.43Å; F221-L224 PolarHBondContact O-N 3.02Å; F221-L224 VanDerWaalsContact O-N 3.11Å; F221-L230 HydrophobicContact CD2-CD2 4.43Å; F221-L230 HydrophobicContact CE1-CD1 4.36Å; F221-L230 HydrophobicContact CG-CD2 4.5Å; F221-L244 HydrophobicContact CB-CD2 4.4Å; F221-L244 HydrophobicContact CD2-CD2 3.91Å; F221-L244 HydrophobicContact CG-CD2 4.46Å; F221-P245 WeakPolarHBondContact O-CD 3.4Å; F221-P245 WeakPolarHBondContact O-CG 3.38Å
222	F	94.2	Very high	95.9	Very high	104 Å²	104	47.2 Å²	47.2	46%	0.456	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-36.9	-166.4	-176.5	-103.1	0	0	0	113	K219 L224 N243	K219-F222 HydrophobicContact CB-CB 3.77Å; K219-F222 HydrophobicContact CB-CG 4.45Å; K219-F222 HydrophobicContact CG-CB 4.43Å; K219-F222 WeakPolarHBondContact O-CB 3.07Å; K219-F222 PolarHBondContact O-N 2.99Å; F222-L224 VanDerWaalsContact C-N 3.31Å; F222-L224 PolarHBondContact O-N 2.98Å; F222-N243 HydrophobicContact CD2-CB 4.38Å
223	N	93.1	Very high	96	Very high	82 Å²	82	45.3 Å²	45.3	44%	0.439	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	2	-177.3	-68.2	-19.7	0	0	0	113.8	F221 V225	F221-N223 VanDerWaalsContact C-N 3.3Å; F221-N223 PolarHBondContact O-N 2.77Å; N223-V225 PolarHBondContact O-N 2.83Å
224	L	96.4	Very high	96.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.251	C	S	.	.			trans	-81.9	67.6	178.4	-55.1	176.2	0	0	0	110	L195 L198 L201 L204 F221 F222 N226 L227 P245	L195-L224 HydrophobicContact CB-CD2 4.38Å; L195-L224 HydrophobicContact CD1-CD1 4.41Å; L198-L224 HydrophobicContact CB-CD2 3.91Å; L198-L224 WeakPolarHBondContact O-CD2 3.29Å; L201-L224 HydrophobicContact CD2-CD1 4.14Å; L201-L224 HydrophobicContact CD2-CD2 4.07Å; L204-L224 HydrophobicContact CD2-CD1 4.27Å; F221-L224 HydrophobicContact CB-CD1 4.23Å; F221-L224 HydrophobicContact CD1-CD1 3.94Å; F221-L224 WeakPolarHBondContact O-CB 3.36Å; F221-L224 WeakPolarHBondContact O-CG 3.43Å; F221-L224 PolarHBondContact O-N 3.02Å; F221-L224 VanDerWaalsContact O-N 3.11Å; F222-L224 VanDerWaalsContact C-N 3.31Å; F222-L224 PolarHBondContact O-N 2.98Å; L224-N226 VanDerWaalsContact C-N 3.27Å; L224-N226 PolarHBondContact O-N 2.74Å; L224-L227 HydrophobicContact CB-CB 3.89Å; L224-L227 HydrophobicContact CB-CD2 4.28Å; L224-L227 HydrophobicContact CD1-CD2 4.05Å; L224-L227 WeakPolarHBondContact O-CB 3.46Å; L224-L227 PolarHBondContact O-N 3.31Å; L224-P245 HydrophobicContact CB-CG 4.38Å; L224-P245 WeakPolarHBondContact O-CB 3.02Å
225	V	95.6	Very high	96.2	Very high	59 Å²	59	41.3 Å²	41.3	36%	0.358	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.7	-167.9	-64.7	0	0	0	0	114.5	T199 N223 N248	T199-V225 HydrophobicContact CG2-CG2 4.27Å; N223-V225 PolarHBondContact O-N 2.83Å; V225-N248 PolarHBondContact O-ND2 3.44Å
226	N	97.8	Very high	96.4	Very high	69 Å²	69	43.5 Å²	43.5	37%	0.369	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	6.4	178.2	-73.9	-36.7	0	0	0	113.4	T199 L201 K202 L224 T228	T199-N226 VanDerWaalsContact O-CB 3.28Å; T199-N226 WeakPolarHBondContact O-CB 3.48Å; T199-N226 PolarHBondContact O-ND2 3.1Å; L201-N226 CarbonylContact O-C 3.21Å; K202-N226 WeakPolarHBondContact CA-O 3.41Å; L224-N226 VanDerWaalsContact C-N 3.27Å; L224-N226 PolarHBondContact O-N 2.74Å; N226-T228 WeakPolarHBondContact O-CG2 3.47Å; N226-T228 PolarHBondContact O-N 2.77Å
227	L	98.4	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.			trans	-64.3	124	-177.8	-167.6	70.1	0	0	0	110	L201 L204 L224 L230 P245 N248 L249	L201-L227 HydrophobicContact CD2-CD1 4.29Å; L201-L227 HydrophobicContact CG-CD1 4.15Å; L201-L227 VanDerWaalsContact O-CA 3.23Å; L201-L227 WeakPolarHBondContact O-CA 3.44Å; L201-L227 PolarHBondContact O-N 3.37Å; L204-L227 HydrophobicContact CB-CD1 3.87Å; L224-L227 HydrophobicContact CB-CB 3.89Å; L224-L227 HydrophobicContact CB-CD2 4.28Å; L224-L227 HydrophobicContact CD1-CD2 4.05Å; L224-L227 WeakPolarHBondContact O-CB 3.46Å; L224-L227 PolarHBondContact O-N 3.31Å; L227-L230 HydrophobicContact CD2-CB 4.1Å; L227-P245 HydrophobicContact CB-CG 4.02Å; L227-P245 HydrophobicContact CD2-CG 3.82Å; L227-N248 CarbonylContact O-C 3.48Å; L227-L249 HydrophobicContact CD2-CD1 4.25Å; L227-L249 HydrophobicContact CG-CD1 4.25Å; L227-L249 WeakPolarHBondContact O-CA 3.45Å; L227-L249 PolarHBondContact O-N 3.12Å
228	T	98.4	Very high	96.8	Very high	44 Å²	44	43.2 Å²	43.2	27%	0.27	22%	0.221	S	C	.	.			trans	-108.1	-32.7	-179.8	65.7	0	0	0	0	112.3	K202 N226 N248 R250 K251	K202-T228 HydrophobicContact CB-CG2 4.44Å; K202-T228 WeakPolarHBondContact O-CA 3.45Å; K202-T228 PolarHBondContact O-N 3.29Å; K202-T228 PolarHBondContact O-OG1 3.03Å; N226-T228 WeakPolarHBondContact O-CG2 3.47Å; N226-T228 PolarHBondContact O-N 2.77Å; T228-N248 WeakPolarHBondContact CA-O 3.44Å; T228-R250 WeakPolarHBondContact O-CA 3.31Å; T228-R250 WeakPolarHBondContact O-CB 3.47Å; T228-R250 PolarHBondContact O-N 3.05Å; T228-K251 PolarHBondContact O-N 3.25Å
229	E	98.7	Very high	97.1	Very high	17 Å²	17	36.8 Å²	36.8	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	123	-177.4	-177.1	169.3	135.7	0	0	109.8	K202 R203 L204 K251 Y253	K202-E229 PolarHBondContact O-N 3.21Å; R203-E229 WeakPolarHBondContact CA-O 3.48Å; R203-E229 HydrophobicContact CB-CB 4.46Å; R203-E229 HydrophobicContact CG-CB 4.16Å; R203-E229 HydrophobicContact CG-CG 4.36Å; R203-E229 IonicContact CZ-OE1 3.77Å; R203-E229 IonicContact NE-OE1 3.8Å; R203-E229 PolarHBondContact NE-OE1 3.23Å; R203-E229 IonicContact NH2-OE1 2.76Å; R203-E229 PolarHBondContact NH2-OE1 3.41Å; L204-E229 PolarHBondContact N-O 3.22Å; E229-K251 WeakPolarHBondContact CA-O 3.12Å; E229-K251 HydrophobicContact CB-CB 4.39Å; E229-K251 HydrophobicContact CG-CB 4.12Å; E229-K251 WeakPolarHBondContact OE2-CD 3.17Å; E229-K251 WeakPolarHBondContact OE2-CE 3.24Å; E229-K251 IonicContact OE2-NZ 3.96Å; E229-K251 PolarHBondContact OE2-NZ 3.27Å; E229-Y253 HydrophobicContact CG-CD2 4.28Å; E229-Y253 HydrophobicContact CG-CE2 3.93Å
230	L	98.7	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.1	171.3	178.5	59.6	0	0	0	108.9	L204 F221 L227 L232 L244 L249 K251 L252 Y253	L204-L230 HydrophobicContact CB-CD1 4.16Å; L204-L230 HydrophobicContact CD2-CD1 3.97Å; L204-L230 HydrophobicContact CG-CD1 4.12Å; F221-L230 HydrophobicContact CD2-CD2 4.43Å; F221-L230 HydrophobicContact CE1-CD1 4.36Å; F221-L230 HydrophobicContact CG-CD2 4.5Å; L227-L230 HydrophobicContact CD2-CB 4.1Å; L230-L232 HydrophobicContact CD1-CD1 4.41Å; L230-L232 HydrophobicContact CD1-CG 4.27Å; L230-L232 HydrophobicContact CD2-CD1 4.06Å; L230-L232 HydrophobicContact CG-CD1 4.16Å; L230-L232 HydrophobicContact CG-CG 4.32Å; L230-L244 HydrophobicContact CD2-CD2 3.67Å; L230-L249 HydrophobicContact CB-CD1 4.04Å; L230-K251 PolarHBondContact N-O 2.81Å; L230-K251 VanDerWaalsContact N-O 3.08Å; L230-L252 HydrophobicContact CB-CD1 4.06Å; L230-L252 HydrophobicContact CD2-CD1 3.97Å; L230-L252 HydrophobicContact CG-CD1 4.12Å; L230-Y253 PolarHBondContact O-N 2.84Å
231	S	98.8	Very high	97.5	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.2	176.8	-153.1	0	0	0	0	110.9	L204 L206 D207	L204-S231 PolarHBondContact O-N 2.94Å; L206-S231 PolarHBondContact N-O 3.46Å; D207-S231 WeakPolarHBondContact OD1-CB 3.43Å; D207-S231 PolarHBondContact OD1-OG 3.08Å; D207-S231 PolarHBondContact OD2-OG 3.36Å
232	L	98.6	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.			trans	-129.1	30.9	178.3	-69.2	162.7	0	0	0	110.4	L206 D207 L211 L230 N235 L237 P241 Y253 L254 N257	L206-L232 HydrophobicContact CB-CD2 3.8Å; L206-L232 HydrophobicContact CD1-CD2 3.92Å; D207-L232 PolarHBondContact OD1-N 3.38Å; L211-L232 HydrophobicContact CD1-CD2 3.87Å; L230-L232 HydrophobicContact CD1-CD1 4.41Å; L230-L232 HydrophobicContact CD1-CG 4.27Å; L230-L232 HydrophobicContact CD2-CD1 4.06Å; L230-L232 HydrophobicContact CG-CD1 4.16Å; L230-L232 HydrophobicContact CG-CG 4.32Å; L232-N235 PolarHBondContact O-ND2 3.31Å; L232-N235 VanDerWaalsContact O-ND2 3.17Å; L232-L237 HydrophobicContact CB-CD1 4.11Å; L232-L237 HydrophobicContact CD1-CD1 4.21Å; L232-P241 HydrophobicContact CD1-CG 4.18Å; L232-Y253 PolarHBondContact N-O 3.01Å; L232-L254 HydrophobicContact CB-CD2 4.11Å; L232-L254 HydrophobicContact CD1-CD2 4.05Å; L232-N257 PolarHBondContact O-ND2 3.33Å
233	V	98.7	Very high	97.5	Very high	18 Å²	18	30.8 Å²	30.8	11%	0.109	17%	0.168	C	C	.	.			trans	-64.8	149.8	-177	179	0	0	0	0	110.4	D207 G208 N235 Q255 D256	D207-V233 CarbonylContact C-O 3.53Å; D207-V233 WeakPolarHBondContact CA-O 3.45Å; D207-V233 HydrophobicContact CB-CB 4.15Å; D207-V233 WeakPolarHBondContact OD1-CB 3.48Å; D207-V233 PolarHBondContact OD1-N 3.49Å; G208-V233 PolarHBondContact N-O 3.12Å; V233-N235 PolarHBondContact O-N 2.83Å; V233-N235 PolarHBondContact O-ND2 3.44Å; V233-N235 VanDerWaalsContact O-ND2 3.12Å; V233-Q255 VanDerWaalsContact CA-O 3.31Å; V233-Q255 WeakPolarHBondContact CA-O 3.47Å; V233-Q255 HydrophobicContact CG1-CB 4.14Å; V233-Q255 HydrophobicContact CG2-CB 4.34Å; V233-Q255 VanDerWaalsContact CG2-OE1 3.24Å; V233-D256 HydrophobicContact CG1-CB 4.44Å
234	R	98.5	Very high	97.7	Very high	124 Å²	124	27.5 Å²	27.5	47%	0.468	15%	0.151	S	C	.	.	S	Bend	trans	54.6	51.4	175.9	-70.7	162.2	51.2	-128.9	-9.8	112.4	D184 G208 N209 Q255 D256	D184-R234 IonicContact OD1-CZ 2.78Å; D184-R234 VanDerWaalsContact OD1-CZ 3.24Å; D184-R234 IonicContact OD1-NH1 3.68Å; D184-R234 PolarHBondContact OD1-NH1 3.15Å; D184-R234 IonicContact OD1-NH2 3.92Å; D184-R234 PolarHBondContact OD1-NH2 2.77Å; G208-R234 CarbonylContact C-O 3.55Å; G208-R234 WeakPolarHBondContact CA-O 3.18Å; G208-R234 PolarHBondContact N-O 3.17Å; N209-R234 PolarHBondContact N-O 3.48Å; R234-Q255 PolarHBondContact N-O 3.16Å; R234-D256 WeakPolarHBondContact CA-O 3.49Å; R234-D256 HydrophobicContact CG-CB 3.77Å; R234-D256 PolarHBondContact N-O 3.49Å
235	N	98.6	Very high	97.6	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.032	15%	0.152	C	C	.	.	S	Bend	trans	-120.2	-173.6	172.7	-84.2	-83.2	0	0	0	109.9	L206 N209 L211 L232 V233 L237 N257	L206-N235 PolarHBondContact O-ND2 2.83Å; N209-N235 WeakPolarHBondContact CA-OD1 3.29Å; N209-N235 WeakPolarHBondContact CB-OD1 3.41Å; N209-N235 PolarHBondContact N-OD1 2.88Å; N209-N235 PolarHBondContact O-OD1 2.85Å; N209-N235 VanDerWaalsContact O-OD1 3.12Å; L211-N235 HydrophobicContact CB-CB 4.33Å; L211-N235 VanDerWaalsContact CB-OD1 3.24Å; L211-N235 WeakPolarHBondContact CB-OD1 3.41Å; L211-N235 PolarHBondContact N-OD1 3.19Å; L211-N235 VanDerWaalsContact N-OD1 3.13Å; L232-N235 PolarHBondContact O-ND2 3.31Å; L232-N235 VanDerWaalsContact O-ND2 3.17Å; V233-N235 PolarHBondContact O-N 2.83Å; V233-N235 PolarHBondContact O-ND2 3.44Å; V233-N235 VanDerWaalsContact O-ND2 3.12Å; N235-L237 HydrophobicContact CB-CG 4.35Å; N235-N257 WeakPolarHBondContact CA-OD1 2.98Å; N235-N257 WeakPolarHBondContact CB-OD1 3.41Å; N235-N257 PolarHBondContact N-OD1 3.47Å; N235-N257 PolarHBondContact O-OD1 2.67Å; N235-N257 VanDerWaalsContact O-OD1 3.11Å
236	S	98.1	Very high	97.5	Very high	52 Å²	52	25.5 Å²	25.5	36%	0.364	14%	0.142	S	C	.	.			trans	-109	36	179	-62.4	0	0	0	0	112.4	L211	L211-S236 CarbonylContact O-C 3.55Å; L211-S236 VanDerWaalsContact O-CA 3.23Å; L211-S236 WeakPolarHBondContact O-CA 3.41Å; L211-S236 WeakPolarHBondContact O-CB 3.33Å; L211-S236 PolarHBondContact O-N 2.75Å
237	L	98.4	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.			trans	-70.6	134	177.8	-59	175.6	0	0	0	110.6	L211 L216 L232 N235 L254 N257 H258 I259	L211-L237 PolarHBondContact O-N 2.85Å; L216-L237 HydrophobicContact CD1-CD2 3.98Å; L232-L237 HydrophobicContact CB-CD1 4.11Å; L232-L237 HydrophobicContact CD1-CD1 4.21Å; N235-L237 HydrophobicContact CB-CG 4.35Å; L237-L254 HydrophobicContact CD1-CD2 4.26Å; L237-N257 HydrophobicContact CB-CB 4.25Å; L237-N257 VanDerWaalsContact CB-OD1 3.24Å; L237-N257 WeakPolarHBondContact CB-OD1 3.41Å; L237-N257 VanDerWaalsContact CG-OD1 3.29Å; L237-N257 WeakPolarHBondContact CG-OD1 3.5Å; L237-N257 PolarHBondContact N-OD1 3.3Å; L237-H258 CarbonylContact O-C 3.23Å; L237-H258 VanDerWaalsContact O-CA 3.24Å; L237-H258 WeakPolarHBondContact O-CA 3.43Å; L237-H258 PolarHBondContact O-N 3.27Å; L237-I259 HydrophobicContact CB-CG1 4.1Å; L237-I259 PolarHBondContact O-N 3.08Å
238	T	97.9	Very high	97.3	Very high	46 Å²	46	28.9 Å²	28.9	28%	0.282	16%	0.163	S	C	.	.	S	Bend	trans	-104.2	-18.2	177.7	64.7	0	0	0	0	113.3	N213 H258 I259 N260	N213-T238 WeakPolarHBondContact OD1-CA 3.23Å; N213-T238 PolarHBondContact OD1-N 3.4Å; N213-T238 PolarHBondContact OD1-OG1 2.66Å; T238-H258 WeakPolarHBondContact CA-O 3.44Å; T238-I259 WeakPolarHBondContact O-CA 3.48Å; T238-N260 PolarHBondContact O-N 2.87Å; T238-N260 PolarHBondContact O-OD1 3.04Å
239	A	98.1	Very high	97.3	Very high	5 Å²	5	26.8 Å²	26.8	4%	0.041	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-135.7	152.3	173.8	0	0	0	0	0	109.9	N213 R261 P263	N213-A239 PolarHBondContact ND2-O 2.68Å; N213-A239 PolarHBondContact OD1-N 2.88Å; A239-R261 VanDerWaalsContact CA-O 3.28Å; A239-R261 WeakPolarHBondContact CA-O 3.35Å; A239-R261 HydrophobicContact CB-CG 3.69Å; A239-P263 HydrophobicContact CB-CG 4.38Å
240	A	98	Very high	97.3	Very high	1 Å²	1	31 Å²	31	1%	0.008	17%	0.166	C	C	.	.			trans	-61.2	136.7	170.9	0	0	0	0	0	110.2	L254 R261 V262 A266 F267	A240-L254 HydrophobicContact CB-CD1 4.49Å; A240-R261 PolarHBondContact N-O 3.31Å; A240-V262 HydrophobicContact CB-CG1 4.04Å; A240-V262 HydrophobicContact CB-CG2 4.49Å; A240-A266 HydrophobicContact CB-CB 3.95Å; A240-F267 HydrophobicContact CB-CE1 4.38Å; A240-F267 HydrophobicContact CB-CZ 4.04Å
241	P	96.7	Very high	97.3	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.032	18%	0.178	C	C	.	.			trans	-65.3	147	-178.9	26.3	-33	0	0	0	111.4	L216 L232 L244 L254	L216-P241 HydrophobicContact CD1-CB 4.16Å; L232-P241 HydrophobicContact CD1-CG 4.18Å; P241-L244 HydrophobicContact CB-CD2 4.23Å; P241-L244 HydrophobicContact CG-CD1 4.29Å; P241-L244 HydrophobicContact CG-CD2 4.14Å; P241-L254 HydrophobicContact CG-CD2 4.11Å
242	V	95.5	Very high	97.3	Very high	56 Å²	56	33.5 Å²	33.5	34%	0.339	18%	0.176	S	C	.	.	S	Bend	trans	-107.3	166.6	179.5	-63.3	0	0	0	0	110.7	L244 P263 N265 A266	V242-L244 VanDerWaalsContact C-N 3.3Å; V242-L244 PolarHBondContact O-N 2.85Å; V242-P263 HydrophobicContact CG1-CB 3.83Å; V242-P263 HydrophobicContact CG1-CG 3.94Å; V242-N265 WeakPolarHBondContact CG1-OD1 3.37Å; V242-A266 HydrophobicContact CG1-CB 4.44Å
243	N	94.9	Very high	97.3	Very high	56 Å²	56	35.1 Å²	35.1	30%	0.299	18%	0.182	S	C	.	.	S	Bend	trans	59.7	37.4	179	-51.8	-50.2	0	0	0	113.4	K219 F222	K219-N243 HydrophobicContact CG-CB 4.15Å; F222-N243 HydrophobicContact CD2-CB 4.38Å
244	L	96.3	Very high	97.3	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.063	18%	0.177	C	C	.	.			trans	-71	149.7	172.7	-63.4	-179.4	0	0	0	111	F221 L230 P241 V242 G246 L249 L252 L270	F221-L244 HydrophobicContact CB-CD2 4.4Å; F221-L244 HydrophobicContact CD2-CD2 3.91Å; F221-L244 HydrophobicContact CG-CD2 4.46Å; L230-L244 HydrophobicContact CD2-CD2 3.67Å; P241-L244 HydrophobicContact CB-CD2 4.23Å; P241-L244 HydrophobicContact CG-CD1 4.29Å; P241-L244 HydrophobicContact CG-CD2 4.14Å; V242-L244 VanDerWaalsContact C-N 3.3Å; V242-L244 PolarHBondContact O-N 2.85Å; L244-G246 PolarHBondContact O-N 3.26Å; L244-L249 HydrophobicContact CB-CD2 4.36Å; L244-L249 HydrophobicContact CD1-CD2 4.46Å; L244-L252 HydrophobicContact CD1-CD1 4.22Å; L244-L252 HydrophobicContact CD1-CD2 3.53Å; L244-L270 HydrophobicContact CB-CD2 4.07Å; L244-L270 HydrophobicContact CD1-CD1 4.22Å
245	P	95.3	Very high	97.3	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.026	16%	0.161	C	C	.	.			trans	-75.8	108.1	-178.8	30	-34	0	0	0	111.1	F221 L224 L227 T247 L249	F221-P245 WeakPolarHBondContact O-CD 3.4Å; F221-P245 WeakPolarHBondContact O-CG 3.38Å; L224-P245 HydrophobicContact CB-CG 4.38Å; L224-P245 WeakPolarHBondContact O-CB 3.02Å; L227-P245 HydrophobicContact CB-CG 4.02Å; L227-P245 HydrophobicContact CD2-CG 3.82Å; P245-T247 PolarHBondContact O-N 2.8Å; P245-L249 WeakPolarHBondContact O-CB 3.41Å
246	G	92.4	Very high	97.2	Very high	15 Å²	15	32.8 Å²	32.8	16%	0.155	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.1	-178.4	0	0	0	0	0	116.2	L244 Y269	L244-G246 PolarHBondContact O-N 3.26Å; G246-Y269 WeakPolarHBondContact CA-O 3.3Å
247	T	94.8	Very high	97.3	Very high	92 Å²	92	30.5 Å²	30.5	56%	0.564	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-46.2	-170.4	-46.3	0	0	0	0	113.3	P245 Q272	P245-T247 PolarHBondContact O-N 2.8Å; T247-Q272 WeakPolarHBondContact O-CG 3.44Å
248	N	97.3	Very high	97.3	Very high	47 Å²	47	35.7 Å²	35.7	25%	0.251	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	0.4	-175	-76	-68.4	0	0	0	113.9	V225 L227 T228 R250	V225-N248 PolarHBondContact O-ND2 3.44Å; L227-N248 CarbonylContact O-C 3.48Å; T228-N248 WeakPolarHBondContact CA-O 3.44Å; N248-R250 WeakPolarHBondContact O-CG 3.24Å; N248-R250 PolarHBondContact O-N 2.75Å
249	L	98.4	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.			trans	-67.3	122.7	-175.2	-172.6	69.9	0	0	0	110.2	L227 L230 L244 P245 L270 Q272 L273	L227-L249 HydrophobicContact CD2-CD1 4.25Å; L227-L249 HydrophobicContact CG-CD1 4.25Å; L227-L249 WeakPolarHBondContact O-CA 3.45Å; L227-L249 PolarHBondContact O-N 3.12Å; L230-L249 HydrophobicContact CB-CD1 4.04Å; L244-L249 HydrophobicContact CB-CD2 4.36Å; L244-L249 HydrophobicContact CD1-CD2 4.46Å; P245-L249 WeakPolarHBondContact O-CB 3.41Å; L249-L270 HydrophobicContact CD2-CD1 4.41Å; L249-L270 HydrophobicContact CD2-CD2 3.96Å; L249-Q272 CarbonylContact O-C 3.59Å; L249-L273 HydrophobicContact CD2-CD1 4.19Å; L249-L273 HydrophobicContact CG-CD1 3.96Å; L249-L273 WeakPolarHBondContact O-CA 3.23Å; L249-L273 PolarHBondContact O-N 3.11Å; L249-L273 VanDerWaalsContact O-N 3.16Å
250	R	98.4	Very high	97.3	Very high	107 Å²	107	37.1 Å²	37.1	40%	0.404	19%	0.19	S	C	.	.			trans	-115.5	-39	-171.7	-82	177.9	-165.2	-73.7	-2.6	111.9	T228 N248 Y274 R275	T228-R250 WeakPolarHBondContact O-CA 3.31Å; T228-R250 WeakPolarHBondContact O-CB 3.47Å; T228-R250 PolarHBondContact O-N 3.05Å; N248-R250 WeakPolarHBondContact O-CG 3.24Å; N248-R250 PolarHBondContact O-N 2.75Å; R250-Y274 HydrophobicContact CB-CD1 3.65Å; R250-Y274 HydrophobicContact CB-CE1 3.79Å; R250-Y274 HydrophobicContact CG-CD1 4.21Å; R250-Y274 WeakPolarHBondContact O-CD1 3.34Å; R250-Y274 PolarHBondContact O-N 2.96Å; R250-R275 PolarHBondContact O-N 2.76Å
251	K	98.7	Very high	97.2	Very high	57 Å²	57	43.6 Å²	43.6	25%	0.248	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.8	-179.8	-53.9	-174.3	-136	162.7	0	110.5	T228 E229 L230 Y253 Y274 R275	T228-K251 PolarHBondContact O-N 3.25Å; E229-K251 WeakPolarHBondContact CA-O 3.12Å; E229-K251 HydrophobicContact CB-CB 4.39Å; E229-K251 HydrophobicContact CG-CB 4.12Å; E229-K251 WeakPolarHBondContact OE2-CD 3.17Å; E229-K251 WeakPolarHBondContact OE2-CE 3.24Å; E229-K251 IonicContact OE2-NZ 3.96Å; E229-K251 PolarHBondContact OE2-NZ 3.27Å; L230-K251 PolarHBondContact N-O 2.81Å; L230-K251 VanDerWaalsContact N-O 3.08Å; K251-Y253 HydrophobicContact CB-CE2 3.84Å; K251-Y253 HydrophobicContact CD-CE2 4.17Å; K251-Y253 VanDerWaalsContact CD-OH 3.3Å; K251-Y253 WeakPolarHBondContact CD-OH 3.23Å; K251-Y274 HydrophobicContact CD-CE1 4.12Å; K251-Y274 VanDerWaalsContact CD-OH 3.23Å; K251-Y274 WeakPolarHBondContact CD-OH 3.36Å; K251-Y274 WeakPolarHBondContact CE-OH 3.42Å; K251-Y274 HydrophobicContact CG-CD1 4.35Å; K251-Y274 HydrophobicContact CG-CE1 3.41Å; K251-Y274 VanDerWaalsContact CG-CE1 3.41Å; K251-Y274 WeakPolarHBondContact CG-OH 3.32Å; K251-R275 WeakPolarHBondContact CA-O 3.48Å; K251-R275 HydrophobicContact CG-CB 4.35Å
252	L	98.8	Very high	97.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.4	175	-180	58.7	0	0	0	109.8	L230 L244 L254 F267 L270 L273 R275 L276 D277	L230-L252 HydrophobicContact CB-CD1 4.06Å; L230-L252 HydrophobicContact CD2-CD1 3.97Å; L230-L252 HydrophobicContact CG-CD1 4.12Å; L244-L252 HydrophobicContact CD1-CD1 4.22Å; L244-L252 HydrophobicContact CD1-CD2 3.53Å; L252-L254 HydrophobicContact CD1-CD2 4.23Å; L252-L254 HydrophobicContact CD1-CG 4.21Å; L252-L254 HydrophobicContact CD2-CD1 4.12Å; L252-L254 HydrophobicContact CG-CD1 4.16Å; L252-L254 HydrophobicContact CG-CG 4.09Å; L252-F267 HydrophobicContact CD2-CD1 4.22Å; L252-F267 HydrophobicContact CD2-CE1 3.83Å; L252-L270 HydrophobicContact CD2-CD1 4.44Å; L252-L273 HydrophobicContact CB-CD1 3.82Å; L252-L273 HydrophobicContact CB-CD2 4.46Å; L252-R275 PolarHBondContact N-O 3.45Å; L252-L276 HydrophobicContact CB-CD1 4.01Å; L252-L276 HydrophobicContact CD2-CD1 3.85Å; L252-L276 HydrophobicContact CG-CD1 3.93Å; L252-D277 PolarHBondContact O-N 2.91Å
253	Y	98.8	Very high	97.3	Very high	35 Å²	35	42.3 Å²	42.3	14%	0.137	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.9	-177.5	-60.6	-65	0	0	0	110.1	E229 L230 L232 K251 Q255 R275 D277	E229-Y253 HydrophobicContact CG-CD2 4.28Å; E229-Y253 HydrophobicContact CG-CE2 3.93Å; L230-Y253 PolarHBondContact O-N 2.84Å; L232-Y253 PolarHBondContact N-O 3.01Å; K251-Y253 HydrophobicContact CB-CE2 3.84Å; K251-Y253 HydrophobicContact CD-CE2 4.17Å; K251-Y253 VanDerWaalsContact CD-OH 3.3Å; K251-Y253 WeakPolarHBondContact CD-OH 3.23Å; Y253-Q255 VanDerWaalsContact C-OE1 3.23Å; Y253-R275 HydrophobicContact CE1-CG 4.42Å; Y253-D277 HydrophobicContact CD1-CB 4.13Å
254	L	98.7	Very high	97.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.			trans	-129.3	21.4	-176.5	-62.8	174.4	0	0	0	111.7	L232 L237 A240 P241 L252 N257 I259 F267 D277 M278 N281	L232-L254 HydrophobicContact CB-CD2 4.11Å; L232-L254 HydrophobicContact CD1-CD2 4.05Å; L237-L254 HydrophobicContact CD1-CD2 4.26Å; A240-L254 HydrophobicContact CB-CD1 4.49Å; P241-L254 HydrophobicContact CG-CD2 4.11Å; L252-L254 HydrophobicContact CD1-CD2 4.23Å; L252-L254 HydrophobicContact CD1-CG 4.21Å; L252-L254 HydrophobicContact CD2-CD1 4.12Å; L252-L254 HydrophobicContact CG-CD1 4.16Å; L252-L254 HydrophobicContact CG-CG 4.09Å; L254-N257 PolarHBondContact O-ND2 3.24Å; L254-I259 HydrophobicContact CB-CD1 3.97Å; L254-I259 HydrophobicContact CD1-CD1 4.35Å; L254-F267 HydrophobicContact CD1-CE1 4.39Å; L254-F267 HydrophobicContact CD1-CZ 4.48Å; L254-D277 PolarHBondContact N-O 3.34Å; L254-M278 HydrophobicContact CB-CG 4.1Å; L254-M278 HydrophobicContact CD1-CG 4.01Å; L254-M278 HydrophobicContact CD1-SD 4.3Å; L254-N281 PolarHBondContact O-ND2 2.8Å
255	Q	98.4	Very high	97.2	Very high	27 Å²	27	48.1 Å²	48.1	13%	0.126	24%	0.244	C	C	.	.			trans	-67.1	158.2	-176.3	-54.7	93.6	-56.3	0	0	112.1	V233 R234 Y253 N257 D277 S279	V233-Q255 VanDerWaalsContact CA-O 3.31Å; V233-Q255 WeakPolarHBondContact CA-O 3.47Å; V233-Q255 HydrophobicContact CG1-CB 4.14Å; V233-Q255 HydrophobicContact CG2-CB 4.34Å; V233-Q255 VanDerWaalsContact CG2-OE1 3.24Å; R234-Q255 PolarHBondContact N-O 3.16Å; Y253-Q255 VanDerWaalsContact C-OE1 3.23Å; Q255-N257 VanDerWaalsContact C-N 3.29Å; Q255-N257 PolarHBondContact O-N 2.65Å; Q255-N257 PolarHBondContact O-ND2 3.49Å; Q255-D277 HydrophobicContact CG-CB 3.92Å; Q255-D277 VanDerWaalsContact CG-OD1 3.22Å; Q255-D277 WeakPolarHBondContact CG-OD1 3.36Å; Q255-D277 PolarHBondContact NE2-OD2 2.95Å; Q255-S279 WeakPolarHBondContact CA-O 3.34Å
256	D	98.4	Very high	97.3	Very high	72 Å²	72	48 Å²	48	39%	0.385	24%	0.244	S	C	.	.	S	Bend	trans	54.8	47.3	171.6	-57.2	-62.3	0	0	0	111.9	V233 R234 S279 N280	V233-D256 HydrophobicContact CG1-CB 4.44Å; R234-D256 WeakPolarHBondContact CA-O 3.49Å; R234-D256 HydrophobicContact CG-CB 3.77Å; R234-D256 PolarHBondContact N-O 3.49Å; D256-S279 PolarHBondContact N-O 3.04Å; D256-S279 VanDerWaalsContact N-O 3.16Å; D256-N280 WeakPolarHBondContact CA-O 3.5Å; D256-N280 PolarHBondContact N-O 2.92Å; D256-N280 WeakPolarHBondContact OD1-CB 3.48Å; D256-N280 VanDerWaalsContact OD1-CG 3.29Å; D256-N280 PolarHBondContact OD1-ND2 3.33Å
257	N	98.7	Very high	97.5	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	24%	0.237	C	C	.	.	S	Bend	trans	-119.8	-173.1	173.8	-85.1	-91.5	0	0	0	109.2	L232 N235 L237 L254 Q255 I259 N280 N281	L232-N257 PolarHBondContact O-ND2 3.33Å; N235-N257 WeakPolarHBondContact CA-OD1 2.98Å; N235-N257 WeakPolarHBondContact CB-OD1 3.41Å; N235-N257 PolarHBondContact N-OD1 3.47Å; N235-N257 PolarHBondContact O-OD1 2.67Å; N235-N257 VanDerWaalsContact O-OD1 3.11Å; L237-N257 HydrophobicContact CB-CB 4.25Å; L237-N257 VanDerWaalsContact CB-OD1 3.24Å; L237-N257 WeakPolarHBondContact CB-OD1 3.41Å; L237-N257 VanDerWaalsContact CG-OD1 3.29Å; L237-N257 WeakPolarHBondContact CG-OD1 3.5Å; L237-N257 PolarHBondContact N-OD1 3.3Å; L254-N257 PolarHBondContact O-ND2 3.24Å; Q255-N257 VanDerWaalsContact C-N 3.29Å; Q255-N257 PolarHBondContact O-N 2.65Å; Q255-N257 PolarHBondContact O-ND2 3.49Å; N257-I259 HydrophobicContact CB-CD1 4.22Å; N257-I259 HydrophobicContact CB-CG1 3.94Å; N257-N280 PolarHBondContact N-O 2.81Å; N257-N281 WeakPolarHBondContact CA-OD1 3.47Å; N257-N281 WeakPolarHBondContact CB-OD1 3.16Å; N257-N281 PolarHBondContact O-OD1 3.4Å
258	H	98.2	Very high	97.5	Very high	109 Å²	109	44.5 Å²	44.5	51%	0.505	22%	0.22	S	C	.	.			trans	-110.3	32.4	176.9	-62.8	-51.1	0	0	0	112.4	L237 T238 N260 N282	L237-H258 CarbonylContact O-C 3.23Å; L237-H258 VanDerWaalsContact O-CA 3.24Å; L237-H258 WeakPolarHBondContact O-CA 3.43Å; L237-H258 PolarHBondContact O-N 3.27Å; T238-H258 WeakPolarHBondContact CA-O 3.44Å; H258-N260 PolarHBondContact O-N 2.6Å; H258-N260 VanDerWaalsContact O-N 3.11Å; H258-N282 WeakPolarHBondContact CA-OD1 3.25Å
259	I	98.6	Very high	97.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.239	C	C	.	.			trans	-66.7	115.5	-172.5	-59.8	172.1	0	0	0	109.1	L237 T238 L254 N257 R261 N281 N282 L283	L237-I259 HydrophobicContact CB-CG1 4.1Å; L237-I259 PolarHBondContact O-N 3.08Å; T238-I259 WeakPolarHBondContact O-CA 3.48Å; L254-I259 HydrophobicContact CB-CD1 3.97Å; L254-I259 HydrophobicContact CD1-CD1 4.35Å; N257-I259 HydrophobicContact CB-CD1 4.22Å; N257-I259 HydrophobicContact CB-CG1 3.94Å; I259-R261 WeakPolarHBondContact CG2-O 3.43Å; I259-N281 HydrophobicContact CB-CB 4.23Å; I259-N281 WeakPolarHBondContact CB-OD1 3.21Å; I259-N281 WeakPolarHBondContact CG1-OD1 3.23Å; I259-N281 PolarHBondContact N-OD1 3.26Å; I259-N282 CarbonylContact O-C 3.58Å; I259-N282 VanDerWaalsContact O-CA 3.31Å; I259-N282 WeakPolarHBondContact O-CA 3.28Å; I259-N282 PolarHBondContact O-N 3.11Å; I259-L283 HydrophobicContact CG2-CD2 3.91Å; I259-L283 HydrophobicContact CG2-CG 4.39Å; I259-L283 PolarHBondContact O-N 3.16Å
260	N	97.6	Very high	97.4	Very high	81 Å²	81	50.2 Å²	50.2	43%	0.433	24%	0.239	S	C	.	.			trans	-106.7	-14	178.8	68.4	12	0	0	0	113.4	T238 H258 N282	T238-N260 PolarHBondContact O-N 2.87Å; T238-N260 PolarHBondContact O-OD1 3.04Å; H258-N260 PolarHBondContact O-N 2.6Å; H258-N260 VanDerWaalsContact O-N 3.11Å; N260-N282 HydrophobicContact CB-CB 4.32Å
261	R	96.7	Very high	97.3	Very high	137 Å²	137	50.8 Å²	50.8	52%	0.517	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-144.4	146.4	179.7	66.1	-172.4	-179	-91.9	6.3	111.9	A239 A240 I259	A239-R261 VanDerWaalsContact CA-O 3.28Å; A239-R261 WeakPolarHBondContact CA-O 3.35Å; A239-R261 HydrophobicContact CB-CG 3.69Å; A240-R261 PolarHBondContact N-O 3.31Å; I259-R261 WeakPolarHBondContact CG2-O 3.43Å
262	V	98	Very high	97.3	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.036	24%	0.244	C	C	.	.			trans	-110.8	112.3	169.4	-172.8	0	0	0	0	107.5	A240 A266 F267 M278 L283 L286 P287 I290	A240-V262 HydrophobicContact CB-CG1 4.04Å; A240-V262 HydrophobicContact CB-CG2 4.49Å; V262-A266 HydrophobicContact CG1-CB 3.87Å; V262-F267 HydrophobicContact CG1-CD2 4.1Å; V262-F267 HydrophobicContact CG1-CE2 3.52Å; V262-F267 HydrophobicContact CG1-CZ 4.05Å; V262-M278 HydrophobicContact CG2-SD 4.45Å; V262-L283 HydrophobicContact CG2-CD1 4.41Å; V262-L283 HydrophobicContact CG2-CD2 3.72Å; V262-L286 HydrophobicContact CG2-CD2 3.95Å; V262-P287 WeakPolarHBondContact O-CG 3.13Å; V262-I290 HydrophobicContact CB-CG1 4.38Å; V262-I290 HydrophobicContact CG1-CD1 3.76Å; V262-I290 HydrophobicContact CG1-CG1 3.58Å
263	P	96.6	Very high	97.3	Very high	29 Å²	29	51.2 Å²	51.2	19%	0.188	24%	0.244	C	C	.	.			trans	-58.7	146.3	173.6	-25.1	34.1	0	0	0	111.8	A239 V242 N265 A266 I290	A239-P263 HydrophobicContact CB-CG 4.38Å; V242-P263 HydrophobicContact CG1-CB 3.83Å; V242-P263 HydrophobicContact CG1-CG 3.94Å; P263-N265 PolarHBondContact O-N 3.19Å; P263-N265 VanDerWaalsContact O-N 3.09Å; P263-A266 HydrophobicContact CB-CB 4.32Å; P263-A266 VanDerWaalsContact O-CB 3.24Å; P263-A266 WeakPolarHBondContact O-CB 3.45Å; P263-A266 PolarHBondContact O-N 3.47Å; P263-I290 VanDerWaalsContact O-CD1 3.23Å; P263-I290 WeakPolarHBondContact O-CD1 3.35Å
264	P	94.3	Very high	97.2	Very high	108 Å²	108	53 Å²	53	70%	0.701	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30	-177	-27.1	35.2	0	0	0	114.6	I290	P264-I290 WeakPolarHBondContact O-CD1 3.43Å
265	N	94.4	Very high	97.2	Very high	82 Å²	82	56.4 Å²	56.4	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	7.9	-179.7	65.7	-28.4	0	0	0	113.8	V242 P263 F267 S268	V242-N265 WeakPolarHBondContact CG1-OD1 3.37Å; P263-N265 PolarHBondContact O-N 3.19Å; P263-N265 VanDerWaalsContact O-N 3.09Å; N265-F267 VanDerWaalsContact C-N 3.32Å; N265-F267 PolarHBondContact O-N 3.13Å; N265-S268 PolarHBondContact O-N 2.88Å
266	A	96.6	Very high	97.2	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.008	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-38.3	-176.4	0	0	0	0	0	112.7	A240 V242 V262 P263	A240-A266 HydrophobicContact CB-CB 3.95Å; V242-A266 HydrophobicContact CG1-CB 4.44Å; V262-A266 HydrophobicContact CG1-CB 3.87Å; P263-A266 HydrophobicContact CB-CB 4.32Å; P263-A266 VanDerWaalsContact O-CB 3.24Å; P263-A266 WeakPolarHBondContact O-CB 3.45Å; P263-A266 PolarHBondContact O-N 3.47Å
267	F	97.3	Very high	97.2	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.009	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	15.9	-179.2	-52.8	-43.8	0	0	0	113.7	A240 L252 L254 V262 N265 L270 L276 M278 I290 F291 L294	A240-F267 HydrophobicContact CB-CE1 4.38Å; A240-F267 HydrophobicContact CB-CZ 4.04Å; L252-F267 HydrophobicContact CD2-CD1 4.22Å; L252-F267 HydrophobicContact CD2-CE1 3.83Å; L254-F267 HydrophobicContact CD1-CE1 4.39Å; L254-F267 HydrophobicContact CD1-CZ 4.48Å; V262-F267 HydrophobicContact CG1-CD2 4.1Å; V262-F267 HydrophobicContact CG1-CE2 3.52Å; V262-F267 HydrophobicContact CG1-CZ 4.05Å; N265-F267 VanDerWaalsContact C-N 3.32Å; N265-F267 PolarHBondContact O-N 3.13Å; F267-L270 HydrophobicContact CB-CD1 4.08Å; F267-L270 HydrophobicContact CD1-CD1 3.84Å; F267-L270 HydrophobicContact CG-CD1 4.42Å; F267-L270 PolarHBondContact O-N 3.46Å; F267-L276 HydrophobicContact CD2-CD2 4.28Å; F267-L276 HydrophobicContact CE1-CD1 4.3Å; F267-L276 HydrophobicContact CE1-CD2 4.34Å; F267-L276 HydrophobicContact CE2-CD2 3.98Å; F267-L276 HydrophobicContact CZ-CD1 4.35Å; F267-L276 HydrophobicContact CZ-CD2 4.03Å; F267-M278 HydrophobicContact CE2-CE 3.87Å; F267-M278 HydrophobicContact CE2-SD 3.96Å; F267-M278 HydrophobicContact CZ-CE 4.01Å; F267-M278 HydrophobicContact CZ-SD 3.52Å; F267-M278 VanDerWaalsContact CZ-SD 3.52Å; F267-I290 HydrophobicContact CD2-CD1 4.18Å; F267-I290 HydrophobicContact CD2-CG1 3.89Å; F267-I290 HydrophobicContact CE2-CG1 4.36Å; F267-F291 HydrophobicContact CD2-CD1 4.26Å; F267-F291 HydrophobicContact CD2-CE1 4.07Å; F267-F291 HydrophobicContact CE2-CE1 4.14Å; F267-L294 HydrophobicContact CB-CD2 4.22Å
268	S	94.7	Very high	97.2	Very high	32 Å²	32	52.2 Å²	52.2	22%	0.224	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	143.6	176.9	-172.3	0	0	0	0	110.6	N265 L270 D293	N265-S268 PolarHBondContact O-N 2.88Å; S268-L270 PolarHBondContact O-N 2.81Å; S268-L270 VanDerWaalsContact O-N 3.13Å; S268-D293 VanDerWaalsContact CA-OD2 3.31Å; S268-D293 WeakPolarHBondContact CA-OD2 3.23Å; S268-D293 PolarHBondContact OG-OD2 3.11Å
269	Y	96	Very high	97.2	Very high	165 Å²	165	47.4 Å²	47.4	65%	0.647	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	6.1	-179.4	-46.3	-65.1	0	0	0	116.4	G246 R271 D293	G246-Y269 WeakPolarHBondContact CA-O 3.3Å; Y269-R271 PolarHBondContact O-N 2.75Å; Y269-D293 PolarHBondContact N-OD2 3.14Å
270	L	97.6	Very high	97.2	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.237	C	C	.	.			trans	-78.7	49.5	179.5	-62.2	-171.4	0	0	0	113.2	L244 L249 L252 F267 S268 Q272 L273 D293 L294	L244-L270 HydrophobicContact CB-CD2 4.07Å; L244-L270 HydrophobicContact CD1-CD1 4.22Å; L249-L270 HydrophobicContact CD2-CD1 4.41Å; L249-L270 HydrophobicContact CD2-CD2 3.96Å; L252-L270 HydrophobicContact CD2-CD1 4.44Å; F267-L270 HydrophobicContact CB-CD1 4.08Å; F267-L270 HydrophobicContact CD1-CD1 3.84Å; F267-L270 HydrophobicContact CG-CD1 4.42Å; F267-L270 PolarHBondContact O-N 3.46Å; S268-L270 PolarHBondContact O-N 2.81Å; S268-L270 VanDerWaalsContact O-N 3.13Å; L270-Q272 PolarHBondContact O-N 3.01Å; L270-L273 HydrophobicContact CB-CB 4.11Å; L270-L273 HydrophobicContact CB-CD2 4.49Å; L270-L273 HydrophobicContact CD1-CD2 4.13Å; L270-L273 WeakPolarHBondContact O-CB 3.47Å; L270-L273 PolarHBondContact O-N 2.91Å; L270-L273 VanDerWaalsContact O-N 3.08Å; L270-D293 CarbonylContact C-O 3.52Å; L270-L294 HydrophobicContact CB-CD2 3.72Å
271	R	96.8	Very high	97.2	Very high	120 Å²	120	46.7 Å²	46.7	45%	0.453	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.5	-172.6	-64.2	-175.5	173.7	147.6	4.3	114.6	Y269 D293 D295 N296	Y269-R271 PolarHBondContact O-N 2.75Å; R271-D293 VanDerWaalsContact CA-O 3.31Å; R271-D293 WeakPolarHBondContact CA-O 3.07Å; R271-D293 WeakPolarHBondContact CG-O 3.38Å; R271-D293 PolarHBondContact N-O 3.24Å; R271-D293 IonicContact NH2-OD1 3.99Å; R271-D295 HydrophobicContact CB-CB 4.47Å; R271-D295 WeakPolarHBondContact CB-OD2 3.22Å; R271-D295 WeakPolarHBondContact CD-OD2 3.05Å; R271-D295 VanDerWaalsContact CG-OD2 3.22Å; R271-D295 WeakPolarHBondContact CG-OD2 3.2Å; R271-D295 IonicContact NE-OD2 3.4Å; R271-N296 WeakPolarHBondContact O-CB 3.33Å; R271-N296 PolarHBondContact O-N 3.31Å; R271-N296 PolarHBondContact O-ND2 2.93Å
272	Q	97.8	Very high	97.3	Very high	65 Å²	65	43.8 Å²	43.8	30%	0.304	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-4.3	178.3	-61.5	-56	-48.6	0	0	113.5	T247 L249 L270 Y274	T247-Q272 WeakPolarHBondContact O-CG 3.44Å; L249-Q272 CarbonylContact O-C 3.59Å; L270-Q272 PolarHBondContact O-N 3.01Å; Q272-Y274 PolarHBondContact O-N 2.87Å
273	L	98.2	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.			trans	-70.6	119	-175.4	-164	76.9	0	0	0	109.8	L249 L252 L270 L276 L294 N296 I297	L249-L273 HydrophobicContact CD2-CD1 4.19Å; L249-L273 HydrophobicContact CG-CD1 3.96Å; L249-L273 WeakPolarHBondContact O-CA 3.23Å; L249-L273 PolarHBondContact O-N 3.11Å; L249-L273 VanDerWaalsContact O-N 3.16Å; L252-L273 HydrophobicContact CB-CD1 3.82Å; L252-L273 HydrophobicContact CB-CD2 4.46Å; L270-L273 HydrophobicContact CB-CB 4.11Å; L270-L273 HydrophobicContact CB-CD2 4.49Å; L270-L273 HydrophobicContact CD1-CD2 4.13Å; L270-L273 WeakPolarHBondContact O-CB 3.47Å; L270-L273 PolarHBondContact O-N 2.91Å; L270-L273 VanDerWaalsContact O-N 3.08Å; L273-L276 HydrophobicContact CD2-CB 3.98Å; L273-L276 HydrophobicContact CD2-CD2 4.47Å; L273-L294 HydrophobicContact CB-CD2 4.2Å; L273-L294 HydrophobicContact CD2-CD2 3.87Å; L273-N296 CarbonylContact O-C 3.52Å; L273-N296 VanDerWaalsContact O-C 3.24Å; L273-I297 WeakPolarHBondContact O-CA 3.28Å; L273-I297 PolarHBondContact O-N 2.81Å
274	Y	97.4	Very high	97.3	Very high	73 Å²	73	44.1 Å²	44.1	29%	0.286	22%	0.216	S	C	.	.			trans	-106.6	-23.4	178.7	86.3	-93	0	0	0	112.5	R250 K251 Q272 N296 T298 Q299	R250-Y274 HydrophobicContact CB-CD1 3.65Å; R250-Y274 HydrophobicContact CB-CE1 3.79Å; R250-Y274 HydrophobicContact CG-CD1 4.21Å; R250-Y274 WeakPolarHBondContact O-CD1 3.34Å; R250-Y274 PolarHBondContact O-N 2.96Å; K251-Y274 HydrophobicContact CD-CE1 4.12Å; K251-Y274 VanDerWaalsContact CD-OH 3.23Å; K251-Y274 WeakPolarHBondContact CD-OH 3.36Å; K251-Y274 WeakPolarHBondContact CE-OH 3.42Å; K251-Y274 HydrophobicContact CG-CD1 4.35Å; K251-Y274 HydrophobicContact CG-CE1 3.41Å; K251-Y274 VanDerWaalsContact CG-CE1 3.41Å; K251-Y274 WeakPolarHBondContact CG-OH 3.32Å; Q272-Y274 PolarHBondContact O-N 2.87Å; Y274-N296 WeakPolarHBondContact CA-O 3.37Å; Y274-T298 PolarHBondContact O-N 3.41Å; Y274-Q299 PolarHBondContact O-N 3.43Å
275	R	98.5	Very high	97.3	Very high	71 Å²	71	42.3 Å²	42.3	27%	0.268	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.1	177.8	-172.8	171.6	-173.2	143.8	-13.2	111.5	R250 K251 L252 Y253 Q299 I301	R250-R275 PolarHBondContact O-N 2.76Å; K251-R275 WeakPolarHBondContact CA-O 3.48Å; K251-R275 HydrophobicContact CG-CB 4.35Å; L252-R275 PolarHBondContact N-O 3.45Å; Y253-R275 HydrophobicContact CE1-CG 4.42Å; R275-Q299 WeakPolarHBondContact CA-O 3.27Å; R275-Q299 HydrophobicContact CB-CB 4.3Å; R275-Q299 VanDerWaalsContact CD-OE1 3.23Å; R275-Q299 HydrophobicContact CG-CB 3.99Å; R275-I301 HydrophobicContact CG-CD1 4.26Å
276	L	98.5	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.1	172.8	176.1	56.8	0	0	0	109.3	L252 F267 L273 M278 F291 L294 I297 Q299 L300 I301	L252-L276 HydrophobicContact CB-CD1 4.01Å; L252-L276 HydrophobicContact CD2-CD1 3.85Å; L252-L276 HydrophobicContact CG-CD1 3.93Å; F267-L276 HydrophobicContact CD2-CD2 4.28Å; F267-L276 HydrophobicContact CE1-CD1 4.3Å; F267-L276 HydrophobicContact CE1-CD2 4.34Å; F267-L276 HydrophobicContact CE2-CD2 3.98Å; F267-L276 HydrophobicContact CZ-CD1 4.35Å; F267-L276 HydrophobicContact CZ-CD2 4.03Å; L273-L276 HydrophobicContact CD2-CB 3.98Å; L273-L276 HydrophobicContact CD2-CD2 4.47Å; L276-M278 HydrophobicContact CD1-CG 4.06Å; L276-M278 HydrophobicContact CD2-CE 3.94Å; L276-M278 HydrophobicContact CG-CE 4.34Å; L276-M278 HydrophobicContact CG-CG 4.38Å; L276-F291 HydrophobicContact CD2-CE1 4.19Å; L276-L294 HydrophobicContact CD2-CD1 4.34Å; L276-I297 HydrophobicContact CB-CD1 4.05Å; L276-Q299 PolarHBondContact N-O 3.09Å; L276-L300 HydrophobicContact CB-CD1 3.91Å; L276-L300 HydrophobicContact CD2-CD1 3.78Å; L276-L300 HydrophobicContact CG-CD1 3.86Å; L276-L300 WeakPolarHBondContact O-CA 3.36Å; L276-I301 PolarHBondContact O-N 3.43Å
277	D	98.7	Very high	97.4	Very high	15 Å²	15	40.4 Å²	40.4	8%	0.08	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.4	175.3	-162.9	-18.6	0	0	0	110.6	L252 Y253 L254 Q255 S279 I301	L252-D277 PolarHBondContact O-N 2.91Å; Y253-D277 HydrophobicContact CD1-CB 4.13Å; L254-D277 PolarHBondContact N-O 3.34Å; Q255-D277 HydrophobicContact CG-CB 3.92Å; Q255-D277 VanDerWaalsContact CG-OD1 3.22Å; Q255-D277 WeakPolarHBondContact CG-OD1 3.36Å; Q255-D277 PolarHBondContact NE2-OD2 2.95Å; D277-S279 WeakPolarHBondContact OD1-CB 3.48Å; D277-S279 PolarHBondContact OD1-N 2.81Å; D277-S279 PolarHBondContact OD1-OG 2.98Å; D277-I301 WeakPolarHBondContact CA-O 3.35Å; D277-I301 HydrophobicContact CB-CB 4.3Å; D277-I301 HydrophobicContact CB-CD1 4.16Å
278	M	98.2	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.			trans	-122	30.8	173.7	-59.7	-176.9	-75.3	0	0	110.7	L254 V262 F267 L276 N281 L283 F291 I301 L302 N305	L254-M278 HydrophobicContact CB-CG 4.1Å; L254-M278 HydrophobicContact CD1-CG 4.01Å; L254-M278 HydrophobicContact CD1-SD 4.3Å; V262-M278 HydrophobicContact CG2-SD 4.45Å; F267-M278 HydrophobicContact CE2-CE 3.87Å; F267-M278 HydrophobicContact CE2-SD 3.96Å; F267-M278 HydrophobicContact CZ-CE 4.01Å; F267-M278 HydrophobicContact CZ-SD 3.52Å; F267-M278 VanDerWaalsContact CZ-SD 3.52Å; L276-M278 HydrophobicContact CD1-CG 4.06Å; L276-M278 HydrophobicContact CD2-CE 3.94Å; L276-M278 HydrophobicContact CG-CE 4.34Å; L276-M278 HydrophobicContact CG-CG 4.38Å; M278-N281 PolarHBondContact O-ND2 2.97Å; M278-N281 VanDerWaalsContact O-ND2 3.13Å; M278-L283 HydrophobicContact CB-CD1 4.3Å; M278-L283 HydrophobicContact SD-CD1 4.33Å; M278-F291 HydrophobicContact CE-CE1 4.37Å; M278-F291 HydrophobicContact CE-CZ 4.4Å; M278-I301 PolarHBondContact N-O 3.12Å; M278-L302 HydrophobicContact CB-CD2 3.92Å; M278-L302 HydrophobicContact CE-CD2 3.49Å; M278-L302 VanDerWaalsContact CE-CD2 3.49Å; M278-N305 PolarHBondContact O-ND2 3.08Å
279	S	98.4	Very high	97.2	Very high	8 Å²	8	47.6 Å²	47.6	6%	0.056	23%	0.228	C	C	.	.			trans	-64.3	157.7	178.8	-56.2	0	0	0	0	112.5	Q255 D256 D277 N281 I301 R303	Q255-S279 WeakPolarHBondContact CA-O 3.34Å; D256-S279 PolarHBondContact N-O 3.04Å; D256-S279 VanDerWaalsContact N-O 3.16Å; D277-S279 WeakPolarHBondContact OD1-CB 3.48Å; D277-S279 PolarHBondContact OD1-N 2.81Å; D277-S279 PolarHBondContact OD1-OG 2.98Å; S279-N281 PolarHBondContact O-ND2 2.89Å; S279-N281 VanDerWaalsContact O-ND2 3.08Å; S279-I301 VanDerWaalsContact OG-CG2 3.22Å; S279-I301 WeakPolarHBondContact OG-CG2 3.29Å; S279-R303 CarbonylContact C-O 3.56Å; S279-R303 WeakPolarHBondContact CA-O 3.13Å; S279-R303 WeakPolarHBondContact CB-O 3.14Å; S279-R303 PolarHBondContact OG-N 3.25Å
280	N	98.3	Very high	97.2	Very high	59 Å²	59	40 Å²	40	32%	0.316	20%	0.199	S	C	.	.	S	Bend	trans	54.8	57.4	178.6	-55	-32.4	0	0	0	112	D256 N257 R303 N304	D256-N280 WeakPolarHBondContact CA-O 3.5Å; D256-N280 PolarHBondContact N-O 2.92Å; D256-N280 WeakPolarHBondContact OD1-CB 3.48Å; D256-N280 VanDerWaalsContact OD1-CG 3.29Å; D256-N280 PolarHBondContact OD1-ND2 3.33Å; N257-N280 PolarHBondContact N-O 2.81Å; N280-R303 PolarHBondContact N-O 2.94Å; N280-N304 WeakPolarHBondContact CA-O 3.4Å; N280-N304 PolarHBondContact N-O 2.76Å; N280-N304 WeakPolarHBondContact OD1-CB 3Å; N280-N304 PolarHBondContact OD1-ND2 2.79Å
281	N	98.7	Very high	97.2	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.032	20%	0.2	C	C	.	.	S	Bend	trans	-132.7	-176.3	177.7	-86.8	-79	0	0	0	110.2	L254 N257 I259 M278 S279 N304 N305 P306	L254-N281 PolarHBondContact O-ND2 2.8Å; N257-N281 WeakPolarHBondContact CA-OD1 3.47Å; N257-N281 WeakPolarHBondContact CB-OD1 3.16Å; N257-N281 PolarHBondContact O-OD1 3.4Å; I259-N281 HydrophobicContact CB-CB 4.23Å; I259-N281 WeakPolarHBondContact CB-OD1 3.21Å; I259-N281 WeakPolarHBondContact CG1-OD1 3.23Å; I259-N281 PolarHBondContact N-OD1 3.26Å; M278-N281 PolarHBondContact O-ND2 2.97Å; M278-N281 VanDerWaalsContact O-ND2 3.13Å; S279-N281 PolarHBondContact O-ND2 2.89Å; S279-N281 VanDerWaalsContact O-ND2 3.08Å; N281-N304 PolarHBondContact N-O 2.88Å; N281-N305 WeakPolarHBondContact CA-OD1 3.44Å; N281-N305 WeakPolarHBondContact CB-OD1 3.37Å; N281-N305 PolarHBondContact O-OD1 3.04Å; N281-N305 VanDerWaalsContact O-OD1 3.1Å; N281-P306 WeakPolarHBondContact O-CD 3.16Å
282	N	98.2	Very high	97.1	Very high	77 Å²	77	40 Å²	40	41%	0.412	21%	0.208	S	C	.	.			trans	-106.9	30.6	-177.1	-64.4	96.4	0	0	0	112.5	H258 I259 N260 S284	H258-N282 WeakPolarHBondContact CA-OD1 3.25Å; I259-N282 CarbonylContact O-C 3.58Å; I259-N282 VanDerWaalsContact O-CA 3.31Å; I259-N282 WeakPolarHBondContact O-CA 3.28Å; I259-N282 PolarHBondContact O-N 3.11Å; N260-N282 HydrophobicContact CB-CB 4.32Å; N282-S284 PolarHBondContact O-N 2.77Å
283	L	97.9	Very high	97	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.			trans	-75.9	125.3	-178.8	-65.8	167.5	0	0	0	111.4	I259 V262 M278 N305 P306 W307	I259-L283 HydrophobicContact CG2-CD2 3.91Å; I259-L283 HydrophobicContact CG2-CG 4.39Å; I259-L283 PolarHBondContact O-N 3.16Å; V262-L283 HydrophobicContact CG2-CD1 4.41Å; V262-L283 HydrophobicContact CG2-CD2 3.72Å; M278-L283 HydrophobicContact CB-CD1 4.3Å; M278-L283 HydrophobicContact SD-CD1 4.33Å; L283-N305 HydrophobicContact CB-CB 4.27Å; L283-N305 VanDerWaalsContact CB-OD1 3.3Å; L283-N305 WeakPolarHBondContact CB-OD1 3.45Å; L283-N305 PolarHBondContact N-OD1 3.03Å; L283-P306 CarbonylContact O-C 3.58Å; L283-P306 VanDerWaalsContact O-CD 3.31Å; L283-P306 WeakPolarHBondContact O-CD 3.36Å; L283-W307 HydrophobicContact CB-CE3 4.49Å; L283-W307 HydrophobicContact CB-CH2 3.55Å; L283-W307 HydrophobicContact CB-CZ2 4.24Å; L283-W307 HydrophobicContact CB-CZ3 3.69Å; L283-W307 HydrophobicContact CD1-CH2 3.86Å; L283-W307 HydrophobicContact CG-CH2 4.33Å
284	S	96.8	Very high	96.9	Very high	42 Å²	42	39.3 Å²	39.3	29%	0.294	21%	0.206	S	C	.	.			trans	-109.2	-23.5	172.6	-62.8	0	0	0	0	113.9	N282 P306 Y308	N282-S284 PolarHBondContact O-N 2.77Å; S284-P306 VanDerWaalsContact CA-O 3.26Å; S284-P306 WeakPolarHBondContact CA-O 3.43Å; S284-P306 WeakPolarHBondContact CB-O 3.48Å; S284-P306 PolarHBondContact OG-O 2.83Å; S284-Y308 WeakPolarHBondContact O-CB 3.31Å; S284-Y308 PolarHBondContact O-N 3.14Å
285	N	94.9	Very high	96.7	Very high	69 Å²	69	40.8 Å²	40.8	37%	0.369	22%	0.219	S	C	.	.			trans	-148.2	160.4	177.4	57.8	85	0	0	0	110.8	M313	N285-M313 HydrophobicContact CB-CE 4.42Å
286	L	96.5	Very high	96.6	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	23%	0.225	C	C	.	.			trans	-121.9	134.1	175.7	-65.7	173.8	0	0	0	109.3	V262 I290 F291 L302 W307 W315 V316	V262-L286 HydrophobicContact CG2-CD2 3.95Å; L286-I290 HydrophobicContact CB-CG2 4.35Å; L286-F291 HydrophobicContact CD1-CE2 3.82Å; L286-F291 HydrophobicContact CD1-CZ 3.9Å; L286-L302 HydrophobicContact CD1-CD1 4.49Å; L286-W307 HydrophobicContact CD1-CH2 4.05Å; L286-W307 HydrophobicContact CD1-CZ3 4.1Å; L286-W307 HydrophobicContact CD2-CH2 4.02Å; L286-W307 HydrophobicContact CD2-CZ3 4.08Å; L286-W307 HydrophobicContact CG-CH2 3.98Å; L286-W307 HydrophobicContact CG-CZ3 3.71Å; L286-W315 HydrophobicContact CB-CZ2 3.83Å; L286-W315 PolarHBondContact O-NE1 3.28Å; L286-W315 VanDerWaalsContact O-NE1 3.11Å; L286-V316 HydrophobicContact CB-CG2 4.43Å; L286-V316 HydrophobicContact CD1-CG2 4.43Å
287	P	95.8	Very high	96.5	Very high	40 Å²	40	41.6 Å²	41.6	26%	0.26	23%	0.228	S	C	.	.			trans	-61.2	143.4	171.8	-17	28.5	0	0	0	111	V262 G289 I290 W315	V262-P287 WeakPolarHBondContact O-CG 3.13Å; P287-G289 PolarHBondContact O-N 3.1Å; P287-I290 WeakPolarHBondContact O-CB 3.2Å; P287-I290 VanDerWaalsContact O-CG2 3.27Å; P287-I290 WeakPolarHBondContact O-CG2 3.3Å; P287-I290 PolarHBondContact O-N 3.24Å; P287-W315 WeakPolarHBondContact O-CZ2 3.36Å
288	Q	94.8	Very high	96.4	Very high	162 Å²	162	42.4 Å²	42.4	76%	0.757	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	137	175.5	-175.2	175.9	-12.9	0	0	110.9	I290 W315	Q288-I290 VanDerWaalsContact C-N 3.3Å; Q288-I290 PolarHBondContact O-N 3.35Å; Q288-W315 HydrophobicContact CB-CD2 4.29Å; Q288-W315 HydrophobicContact CB-CG 4.1Å; Q288-W315 HydrophobicContact CG-CB 4.18Å; Q288-W315 HydrophobicContact CG-CD2 4.17Å; Q288-W315 HydrophobicContact CG-CG 3.94Å
289	G	93.2	Very high	96.4	Very high	23 Å²	23	44.9 Å²	44.9	24%	0.237	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	5.6	176.8	0	0	0	0	0	115.2	P287 F291 D292	P287-G289 PolarHBondContact O-N 3.1Å; G289-F291 PolarHBondContact O-N 3.25Å; G289-D292 VanDerWaalsContact CA-CG 3.4Å; G289-D292 WeakPolarHBondContact CA-OD1 3Å; G289-D292 WeakPolarHBondContact CA-OD2 3.01Å; G289-D292 WeakPolarHBondContact O-CB 3.2Å; G289-D292 VanDerWaalsContact O-CG 3.24Å; G289-D292 PolarHBondContact O-N 3.33Å; G289-D292 VanDerWaalsContact O-N 3.1Å
290	I	96.9	Very high	96.4	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.036	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15	-176.6	-166.7	50.7	0	0	0	114.1	V262 P263 P264 F267 L286 P287 Q288 W315	V262-I290 HydrophobicContact CB-CG1 4.38Å; V262-I290 HydrophobicContact CG1-CD1 3.76Å; V262-I290 HydrophobicContact CG1-CG1 3.58Å; P263-I290 VanDerWaalsContact O-CD1 3.23Å; P263-I290 WeakPolarHBondContact O-CD1 3.35Å; P264-I290 WeakPolarHBondContact O-CD1 3.43Å; F267-I290 HydrophobicContact CD2-CD1 4.18Å; F267-I290 HydrophobicContact CD2-CG1 3.89Å; F267-I290 HydrophobicContact CE2-CG1 4.36Å; L286-I290 HydrophobicContact CB-CG2 4.35Å; P287-I290 WeakPolarHBondContact O-CB 3.2Å; P287-I290 VanDerWaalsContact O-CG2 3.27Å; P287-I290 WeakPolarHBondContact O-CG2 3.3Å; P287-I290 PolarHBondContact O-N 3.24Å; Q288-I290 VanDerWaalsContact C-N 3.3Å; Q288-I290 PolarHBondContact O-N 3.35Å; I290-W315 HydrophobicContact CG2-CH2 3.93Å; I290-W315 HydrophobicContact CG2-CZ2 4.1Å
291	F	96.2	Very high	96.4	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.031	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	8.7	179.1	-58.1	-40.2	0	0	0	113.3	F267 L276 M278 L286 G289 D293 L294 L300 W315 W319	F267-F291 HydrophobicContact CD2-CD1 4.26Å; F267-F291 HydrophobicContact CD2-CE1 4.07Å; F267-F291 HydrophobicContact CE2-CE1 4.14Å; L276-F291 HydrophobicContact CD2-CE1 4.19Å; M278-F291 HydrophobicContact CE-CE1 4.37Å; M278-F291 HydrophobicContact CE-CZ 4.4Å; L286-F291 HydrophobicContact CD1-CE2 3.82Å; L286-F291 HydrophobicContact CD1-CZ 3.9Å; G289-F291 PolarHBondContact O-N 3.25Å; F291-D293 VanDerWaalsContact C-N 3.32Å; F291-D293 PolarHBondContact O-N 3.04Å; F291-L294 HydrophobicContact CB-CD1 4.01Å; F291-L294 HydrophobicContact CB-CG 4.44Å; F291-L294 HydrophobicContact CD1-CD1 3.47Å; F291-L294 VanDerWaalsContact CD1-CD1 3.47Å; F291-L294 HydrophobicContact CE1-CD1 4.31Å; F291-L294 HydrophobicContact CG-CD1 4.09Å; F291-L294 WeakPolarHBondContact O-CB 3.3Å; F291-L294 PolarHBondContact O-N 3.06Å; F291-L294 VanDerWaalsContact O-N 3.15Å; F291-L300 HydrophobicContact CD2-CD2 4.33Å; F291-L300 HydrophobicContact CE2-CD2 3.86Å; F291-L300 HydrophobicContact CZ-CD1 4.4Å; F291-L300 HydrophobicContact CZ-CD2 4Å; F291-W315 HydrophobicContact CD2-CH2 4.07Å; F291-W315 HydrophobicContact CE2-CH2 4.46Å; F291-W319 HydrophobicContact CB-CZ2 3.99Å; F291-W319 HydrophobicContact CD2-CE3 4.47Å; F291-W319 AromaticContact CD2-CH2 3.73Å; F291-W319 HydrophobicContact CD2-CH2 3.73Å; F291-W319 AromaticContact CD2-CZ2 3.78Å; F291-W319 HydrophobicContact CD2-CZ2 3.78Å; F291-W319 HydrophobicContact CD2-CZ3 4.08Å; F291-W319 HydrophobicContact CE2-CH2 4.22Å; F291-W319 HydrophobicContact CE2-CZ3 4.33Å; F291-W319 HydrophobicContact CG-CH2 4.49Å; F291-W319 HydrophobicContact CG-CZ2 4.23Å
292	D	94.9	Very high	96.3	Very high	114 Å²	114	42 Å²	42	61%	0.61	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-31.9	-172.5	-69.2	-4	0	0	0	112.9	G289 L294	G289-D292 VanDerWaalsContact CA-CG 3.4Å; G289-D292 WeakPolarHBondContact CA-OD1 3Å; G289-D292 WeakPolarHBondContact CA-OD2 3.01Å; G289-D292 WeakPolarHBondContact O-CB 3.2Å; G289-D292 VanDerWaalsContact O-CG 3.24Å; G289-D292 PolarHBondContact O-N 3.33Å; G289-D292 VanDerWaalsContact O-N 3.1Å; D292-L294 VanDerWaalsContact C-N 3.3Å
293	D	96	Very high	96.2	Very high	42 Å²	42	44.1 Å²	44.1	23%	0.225	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	4.6	177.4	-81.2	-31.1	0	0	0	113.3	S268 Y269 L270 R271 F291 D295	S268-D293 VanDerWaalsContact CA-OD2 3.31Å; S268-D293 WeakPolarHBondContact CA-OD2 3.23Å; S268-D293 PolarHBondContact OG-OD2 3.11Å; Y269-D293 PolarHBondContact N-OD2 3.14Å; L270-D293 CarbonylContact C-O 3.52Å; R271-D293 VanDerWaalsContact CA-O 3.31Å; R271-D293 WeakPolarHBondContact CA-O 3.07Å; R271-D293 WeakPolarHBondContact CG-O 3.38Å; R271-D293 PolarHBondContact N-O 3.24Å; R271-D293 IonicContact NH2-OD1 3.99Å; F291-D293 VanDerWaalsContact C-N 3.32Å; F291-D293 PolarHBondContact O-N 3.04Å; D293-D295 VanDerWaalsContact C-N 3.32Å; D293-D295 PolarHBondContact O-N 3.46Å
294	L	96.2	Very high	96.2	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.042	26%	0.261	C	S	.	.			trans	-91.3	56.1	-177	-61.2	-173.1	0	0	0	112.7	F267 L270 L273 L276 F291 D292 N296 I297	F267-L294 HydrophobicContact CB-CD2 4.22Å; L270-L294 HydrophobicContact CB-CD2 3.72Å; L273-L294 HydrophobicContact CB-CD2 4.2Å; L273-L294 HydrophobicContact CD2-CD2 3.87Å; L276-L294 HydrophobicContact CD2-CD1 4.34Å; F291-L294 HydrophobicContact CB-CD1 4.01Å; F291-L294 HydrophobicContact CB-CG 4.44Å; F291-L294 HydrophobicContact CD1-CD1 3.47Å; F291-L294 VanDerWaalsContact CD1-CD1 3.47Å; F291-L294 HydrophobicContact CE1-CD1 4.31Å; F291-L294 HydrophobicContact CG-CD1 4.09Å; F291-L294 WeakPolarHBondContact O-CB 3.3Å; F291-L294 PolarHBondContact O-N 3.06Å; F291-L294 VanDerWaalsContact O-N 3.15Å; D292-L294 VanDerWaalsContact C-N 3.3Å; L294-N296 VanDerWaalsContact C-N 3.26Å; L294-N296 PolarHBondContact O-N 2.91Å; L294-N296 VanDerWaalsContact O-N 3.12Å; L294-I297 HydrophobicContact CB-CB 4.05Å; L294-I297 HydrophobicContact CB-CG2 4.24Å; L294-I297 WeakPolarHBondContact O-CB 3.06Å; L294-I297 VanDerWaalsContact O-CG2 3.28Å; L294-I297 WeakPolarHBondContact O-CG2 3.46Å; L294-I297 PolarHBondContact O-N 3.04Å; L294-I297 VanDerWaalsContact O-N 3.12Å
295	D	94.3	Very high	96.3	Very high	103 Å²	103	48 Å²	48	55%	0.551	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-37.1	-171.9	-56.4	-20.3	0	0	0	114.5	R271 D293	R271-D295 HydrophobicContact CB-CB 4.47Å; R271-D295 WeakPolarHBondContact CB-OD2 3.22Å; R271-D295 WeakPolarHBondContact CD-OD2 3.05Å; R271-D295 VanDerWaalsContact CG-OD2 3.22Å; R271-D295 WeakPolarHBondContact CG-OD2 3.2Å; R271-D295 IonicContact NE-OD2 3.4Å; D293-D295 VanDerWaalsContact C-N 3.32Å; D293-D295 PolarHBondContact O-N 3.46Å
296	N	95.8	Very high	96.4	Very high	74 Å²	74	46.3 Å²	46.3	40%	0.396	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	10.7	-175.6	-82	-37.3	0	0	0	114.7	R271 L273 Y274 L294 T298	R271-N296 WeakPolarHBondContact O-CB 3.33Å; R271-N296 PolarHBondContact O-N 3.31Å; R271-N296 PolarHBondContact O-ND2 2.93Å; L273-N296 CarbonylContact O-C 3.52Å; L273-N296 VanDerWaalsContact O-C 3.24Å; Y274-N296 WeakPolarHBondContact CA-O 3.37Å; L294-N296 VanDerWaalsContact C-N 3.26Å; L294-N296 PolarHBondContact O-N 2.91Å; L294-N296 VanDerWaalsContact O-N 3.12Å; N296-T298 PolarHBondContact O-N 3.46Å; N296-T298 PolarHBondContact O-OG1 3.06Å
297	I	96.7	Very high	96.4	Very high	15 Å²	15	46.2 Å²	46.2	8%	0.077	24%	0.241	C	C	.	.			trans	-59.1	126.5	-176.5	-165.7	65	0	0	0	110.6	L273 L276 L294 L300 V327	L273-I297 WeakPolarHBondContact O-CA 3.28Å; L273-I297 PolarHBondContact O-N 2.81Å; L276-I297 HydrophobicContact CB-CD1 4.05Å; L294-I297 HydrophobicContact CB-CB 4.05Å; L294-I297 HydrophobicContact CB-CG2 4.24Å; L294-I297 WeakPolarHBondContact O-CB 3.06Å; L294-I297 VanDerWaalsContact O-CG2 3.28Å; L294-I297 WeakPolarHBondContact O-CG2 3.46Å; L294-I297 PolarHBondContact O-N 3.04Å; L294-I297 VanDerWaalsContact O-N 3.12Å; I297-L300 HydrophobicContact CG1-CB 4.32Å; I297-V327 HydrophobicContact CG2-CG1 4.14Å; I297-V327 WeakPolarHBondContact O-CG2 3.35Å
298	T	96.6	Very high	96.4	Very high	32 Å²	32	50 Å²	50	20%	0.196	25%	0.251	C	S	.	.			trans	-122.4	-32.1	179.9	-58.2	0	0	0	0	110.7	Y274 N296 K326 N328	Y274-T298 PolarHBondContact O-N 3.41Å; N296-T298 PolarHBondContact O-N 3.46Å; N296-T298 PolarHBondContact O-OG1 3.06Å; T298-K326 HydrophobicContact CG2-CG 4.4Å; T298-N328 WeakPolarHBondContact O-CB 3.4Å; T298-N328 PolarHBondContact O-N 3.32Å
299	Q	97.5	Very high	96.4	Very high	51 Å²	51	42.4 Å²	42.4	24%	0.238	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	109.6	-179.6	-68.3	177.2	-13.7	0	0	109.6	Y274 R275 L276 I301	Y274-Q299 PolarHBondContact O-N 3.43Å; R275-Q299 WeakPolarHBondContact CA-O 3.27Å; R275-Q299 HydrophobicContact CB-CB 4.3Å; R275-Q299 VanDerWaalsContact CD-OE1 3.23Å; R275-Q299 HydrophobicContact CG-CB 3.99Å; L276-Q299 PolarHBondContact N-O 3.09Å; Q299-I301 HydrophobicContact CB-CD1 4.17Å
300	L	97.8	Very high	96.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	110.4	173.8	178.9	62.2	0	0	0	109.2	L276 F291 I297 L302 W319 N328 V329 R330	L276-L300 HydrophobicContact CB-CD1 3.91Å; L276-L300 HydrophobicContact CD2-CD1 3.78Å; L276-L300 HydrophobicContact CG-CD1 3.86Å; L276-L300 WeakPolarHBondContact O-CA 3.36Å; F291-L300 HydrophobicContact CD2-CD2 4.33Å; F291-L300 HydrophobicContact CE2-CD2 3.86Å; F291-L300 HydrophobicContact CZ-CD1 4.4Å; F291-L300 HydrophobicContact CZ-CD2 4Å; I297-L300 HydrophobicContact CG1-CB 4.32Å; L300-L302 HydrophobicContact CD1-CD1 4.23Å; L300-L302 HydrophobicContact CD1-CD2 4.21Å; L300-L302 HydrophobicContact CD1-CG 4.07Å; L300-L302 HydrophobicContact CD2-CD1 3.91Å; L300-L302 HydrophobicContact CG-CD1 3.92Å; L300-L302 HydrophobicContact CG-CG 4Å; L300-W319 HydrophobicContact CD2-CH2 3.55Å; L300-W319 HydrophobicContact CD2-CZ3 4.07Å; L300-N328 PolarHBondContact N-O 2.89Å; L300-V329 HydrophobicContact CB-CG1 4.34Å; L300-V329 HydrophobicContact CB-CG2 4.26Å; L300-V329 HydrophobicContact CD2-CG1 4.1Å; L300-V329 HydrophobicContact CD2-CG2 4.43Å; L300-V329 HydrophobicContact CG-CG1 4.29Å; L300-V329 WeakPolarHBondContact O-CA 3.36Å; L300-R330 PolarHBondContact O-N 3.01Å
301	I	98.3	Very high	96.1	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.067	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121	-177.7	-46.7	96.2	0	0	0	109.7	R275 L276 D277 M278 S279 Q299 R303	R275-I301 HydrophobicContact CG-CD1 4.26Å; L276-I301 PolarHBondContact O-N 3.43Å; D277-I301 WeakPolarHBondContact CA-O 3.35Å; D277-I301 HydrophobicContact CB-CB 4.3Å; D277-I301 HydrophobicContact CB-CD1 4.16Å; M278-I301 PolarHBondContact N-O 3.12Å; S279-I301 VanDerWaalsContact OG-CG2 3.22Å; S279-I301 WeakPolarHBondContact OG-CG2 3.29Å; Q299-I301 HydrophobicContact CB-CD1 4.17Å; I301-R303 HydrophobicContact CG2-CG 4.01Å; I301-R303 VanDerWaalsContact CG2-NH1 3.34Å
302	L	97.4	Very high	95.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.			trans	-133.4	29.4	-171.3	-68.7	178.7	0	0	0	111.6	M278 L286 L300 W307 R330 G331 L332	M278-L302 HydrophobicContact CB-CD2 3.92Å; M278-L302 HydrophobicContact CE-CD2 3.49Å; M278-L302 VanDerWaalsContact CE-CD2 3.49Å; L286-L302 HydrophobicContact CD1-CD1 4.49Å; L300-L302 HydrophobicContact CD1-CD1 4.23Å; L300-L302 HydrophobicContact CD1-CD2 4.21Å; L300-L302 HydrophobicContact CD1-CG 4.07Å; L300-L302 HydrophobicContact CD2-CD1 3.91Å; L300-L302 HydrophobicContact CG-CD1 3.92Å; L300-L302 HydrophobicContact CG-CG 4Å; L302-W307 HydrophobicContact CB-CZ2 3.88Å; L302-W307 HydrophobicContact CD1-CZ2 4.3Å; L302-W307 HydrophobicContact CD2-CZ2 4.3Å; L302-W307 HydrophobicContact CG-CZ2 4.39Å; L302-W307 PolarHBondContact O-NE1 3.39Å; L302-R330 PolarHBondContact N-O 2.93Å; L302-G331 CarbonylContact O-C 3.34Å; L302-G331 VanDerWaalsContact O-O 3.09Å; L302-L332 HydrophobicContact CB-CD2 4.41Å; L302-L332 HydrophobicContact CB-CG 4.34Å; L302-L332 HydrophobicContact CD1-CD1 4Å; L302-L332 HydrophobicContact CD1-CD2 3.72Å; L302-L332 HydrophobicContact CD1-CG 3.84Å
303	R	96.8	Very high	95.9	Very high	121 Å²	121	45.9 Å²	45.9	46%	0.457	23%	0.228	S	C	.	.			trans	-69.2	156.5	-174.2	-65.3	-176.3	-178.1	110.5	-6	110.9	S279 N280 I301 N305	S279-R303 CarbonylContact C-O 3.56Å; S279-R303 WeakPolarHBondContact CA-O 3.13Å; S279-R303 WeakPolarHBondContact CB-O 3.14Å; S279-R303 PolarHBondContact OG-N 3.25Å; N280-R303 PolarHBondContact N-O 2.94Å; I301-R303 HydrophobicContact CG2-CG 4.01Å; I301-R303 VanDerWaalsContact CG2-NH1 3.34Å; R303-N305 PolarHBondContact O-N 3.4Å; R303-N305 PolarHBondContact O-ND2 3.13Å
304	N	97.1	Very high	95.7	Very high	117 Å²	117	47.8 Å²	47.8	63%	0.626	23%	0.234	S	C	*	.	S	Bend	trans	51.6	54	174.7	-60.9	-12.3	0	0	0	112.8	N280 N281	N280-N304 WeakPolarHBondContact CA-O 3.4Å; N280-N304 PolarHBondContact N-O 2.76Å; N280-N304 WeakPolarHBondContact OD1-CB 3Å; N280-N304 PolarHBondContact OD1-ND2 2.79Å; N281-N304 PolarHBondContact N-O 2.88Å
305	N	98	Very high	95.6	Very high	6 Å²	6	49 Å²	49	3%	0.032	24%	0.238	C	C	.	.			trans	-125.2	141.7	169.9	-84.8	-82.9	0	0	0	108.8	M278 N281 L283 R303 W307	M278-N305 PolarHBondContact O-ND2 3.08Å; N281-N305 WeakPolarHBondContact CA-OD1 3.44Å; N281-N305 WeakPolarHBondContact CB-OD1 3.37Å; N281-N305 PolarHBondContact O-OD1 3.04Å; N281-N305 VanDerWaalsContact O-OD1 3.1Å; L283-N305 HydrophobicContact CB-CB 4.27Å; L283-N305 VanDerWaalsContact CB-OD1 3.3Å; L283-N305 WeakPolarHBondContact CB-OD1 3.45Å; L283-N305 PolarHBondContact N-OD1 3.03Å; R303-N305 PolarHBondContact O-N 3.4Å; R303-N305 PolarHBondContact O-ND2 3.13Å; N305-W307 HydrophobicContact CB-CD2 4.16Å; N305-W307 VanDerWaalsContact CB-CE2 3.46Å; N305-W307 HydrophobicContact CB-CH2 4.38Å; N305-W307 HydrophobicContact CB-CZ2 3.57Å; N305-W307 VanDerWaalsContact O-CD1 3.27Å; N305-W307 PolarHBondContact O-N 2.98Å
306	P	97.5	Very high	95.7	Very high	35 Å²	35	44.1 Å²	44.1	23%	0.227	21%	0.212	C	C	.	.			trans	-78.8	66.1	-177.5	33.7	-37.2	0	0	0	112.8	N281 L283 S284 Y308 Q335	N281-P306 WeakPolarHBondContact O-CD 3.16Å; L283-P306 CarbonylContact O-C 3.58Å; L283-P306 VanDerWaalsContact O-CD 3.31Å; L283-P306 WeakPolarHBondContact O-CD 3.36Å; S284-P306 VanDerWaalsContact CA-O 3.26Å; S284-P306 WeakPolarHBondContact CA-O 3.43Å; S284-P306 WeakPolarHBondContact CB-O 3.48Å; S284-P306 PolarHBondContact OG-O 2.83Å; P306-Y308 PolarHBondContact O-N 3.2Å; P306-Q335 VanDerWaalsContact CA-OE1 3.24Å
307	W	97.3	Very high	95.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.197	C	C	.	.			trans	-61.4	122.7	-176.2	-62.2	113.7	0	0	0	112.6	L283 L286 L302 N305 M313 G331 L332 M333 Q335 A336 I345	L283-W307 HydrophobicContact CB-CE3 4.49Å; L283-W307 HydrophobicContact CB-CH2 3.55Å; L283-W307 HydrophobicContact CB-CZ2 4.24Å; L283-W307 HydrophobicContact CB-CZ3 3.69Å; L283-W307 HydrophobicContact CD1-CH2 3.86Å; L283-W307 HydrophobicContact CG-CH2 4.33Å; L286-W307 HydrophobicContact CD1-CH2 4.05Å; L286-W307 HydrophobicContact CD1-CZ3 4.1Å; L286-W307 HydrophobicContact CD2-CH2 4.02Å; L286-W307 HydrophobicContact CD2-CZ3 4.08Å; L286-W307 HydrophobicContact CG-CH2 3.98Å; L286-W307 HydrophobicContact CG-CZ3 3.71Å; L302-W307 HydrophobicContact CB-CZ2 3.88Å; L302-W307 HydrophobicContact CD1-CZ2 4.3Å; L302-W307 HydrophobicContact CD2-CZ2 4.3Å; L302-W307 HydrophobicContact CG-CZ2 4.39Å; L302-W307 PolarHBondContact O-NE1 3.39Å; N305-W307 HydrophobicContact CB-CD2 4.16Å; N305-W307 VanDerWaalsContact CB-CE2 3.46Å; N305-W307 HydrophobicContact CB-CH2 4.38Å; N305-W307 HydrophobicContact CB-CZ2 3.57Å; N305-W307 VanDerWaalsContact O-CD1 3.27Å; N305-W307 PolarHBondContact O-N 2.98Å; W307-M313 HydrophobicContact CE3-CE 3.83Å; W307-M313 HydrophobicContact CZ3-CE 4.36Å; W307-G331 PolarHBondContact NE1-O 3.24Å; W307-L332 HydrophobicContact CD2-CD2 4.07Å; W307-L332 HydrophobicContact CH2-CD2 4.42Å; W307-L332 HydrophobicContact CZ2-CD2 3.95Å; W307-M333 VanDerWaalsContact CD1-O 3.32Å; W307-Q335 PolarHBondContact O-N 2.8Å; W307-A336 PolarHBondContact O-N 2.97Å; W307-A336 VanDerWaalsContact O-N 3.14Å; W307-I345 HydrophobicContact CB-CD1 4.42Å
308	Y	96	Very high	95.4	Very high	121 Å²	121	44.1 Å²	44.1	48%	0.475	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-96.9	107.9	172.8	-177.9	-92.7	0	0	0	110.2	S284 P306 G310 A336 P337	S284-Y308 WeakPolarHBondContact O-CB 3.31Å; S284-Y308 PolarHBondContact O-N 3.14Å; P306-Y308 PolarHBondContact O-N 3.2Å; Y308-G310 VanDerWaalsContact C-N 3.31Å; Y308-G310 PolarHBondContact O-N 3.17Å; Y308-G310 VanDerWaalsContact O-N 3.09Å; Y308-A336 CarbonylContact C-O 3.6Å; Y308-A336 WeakPolarHBondContact CA-O 3.32Å; Y308-A336 HydrophobicContact CD2-CB 3.73Å; Y308-A336 HydrophobicContact CE2-CB 4.38Å; Y308-P337 HydrophobicContact CE2-CG 3.85Å
309	C	95.1	Very high	95.3	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	21%	0.208	C	C	.	.			trans	-88.6	62.3	-175.7	-65.8	0	0	0	0	112.4	C334 A336 V340 I345 L348 F353	C309-C334 HydrophobicContact CB-CB 3.81Å; C309-C334 WeakPolarHBondContact CB-SG 3.45Å; C309-C334 WeakPolarHBondContact SG-CA 3.41Å; C309-C334 WeakPolarHBondContact SG-CB 3.36Å; C309-C334 CovalentContact SG-SG 2.01Å; C309-C334 PolarHBondContact SG-SG 2.76Å; C309-A336 PolarHBondContact N-O 2.87Å; C309-V340 HydrophobicContact CB-CG2 3.99Å; C309-I345 VanDerWaalsContact SG-CG1 3.59Å; C309-L348 HydrophobicContact CB-CD1 4.14Å; C309-F353 HydrophobicContact CB-CE1 4.15Å
310	G	92.1	Very high	95.2	Very high	7 Å²	7	43.3 Å²	43.3	7%	0.072	20%	0.204	C	C	.	.	S	Bend	trans	-101.5	-165.3	169.5	0	0	0	0	0	112.8	Y308 K312 M313 F353	Y308-G310 VanDerWaalsContact C-N 3.31Å; Y308-G310 PolarHBondContact O-N 3.17Å; Y308-G310 VanDerWaalsContact O-N 3.09Å; G310-K312 PolarHBondContact O-N 3.09Å; G310-K312 VanDerWaalsContact O-N 3.11Å; G310-M313 WeakPolarHBondContact O-CB 3.15Å; G310-M313 PolarHBondContact O-N 2.91Å; G310-F353 VanDerWaalsContact O-CD1 3.24Å; G310-F353 WeakPolarHBondContact O-CD1 3.29Å
311	C	91.1	Very high	94.9	Very high	61 Å²	61	49.4 Å²	49.4	41%	0.412	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-56.1	-35.1	-173.9	-162.8	0	0	0	0	114.8	M313 K314 C355	C311-M313 PolarHBondContact O-N 3.4Å; C311-M313 VanDerWaalsContact O-N 3.09Å; C311-K314 WeakPolarHBondContact O-CB 3.38Å; C311-K314 PolarHBondContact O-N 3.49Å; C311-K314 VanDerWaalsContact O-N 3.15Å; C311-C355 WeakPolarHBondContact CA-SG 3.32Å; C311-C355 HydrophobicContact CB-CB 3.89Å; C311-C355 WeakPolarHBondContact CB-SG 3.08Å; C311-C355 VanDerWaalsContact SG-CA 3.54Å; C311-C355 WeakPolarHBondContact SG-CB 3.44Å; C311-C355 CovalentContact SG-SG 2.04Å; C311-C355 PolarHBondContact SG-SG 2.92Å
312	K	92.1	Very high	94.7	Very high	156 Å²	156	53.1 Å²	53.1	68%	0.678	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-63.8	-13.7	177	-65.6	-174	178.6	-177.3	0	114.2	G310 W315	G310-K312 PolarHBondContact O-N 3.09Å; G310-K312 VanDerWaalsContact O-N 3.11Å; K312-W315 PolarHBondContact O-NE1 3.09Å
313	M	93.6	Very high	94.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-99.9	-6.6	-179.6	-163.8	58.4	67.2	0	0	112.7	N285 W307 G310 C311 W315 V316 R317 I345 F353	N285-M313 HydrophobicContact CB-CE 4.42Å; W307-M313 HydrophobicContact CE3-CE 3.83Å; W307-M313 HydrophobicContact CZ3-CE 4.36Å; G310-M313 WeakPolarHBondContact O-CB 3.15Å; G310-M313 PolarHBondContact O-N 2.91Å; C311-M313 PolarHBondContact O-N 3.4Å; C311-M313 VanDerWaalsContact O-N 3.09Å; M313-W315 VanDerWaalsContact C-N 3.3Å; M313-W315 PolarHBondContact O-N 3.27Å; M313-V316 HydrophobicContact CG-CB 4.3Å; M313-V316 WeakPolarHBondContact O-CB 3.24Å; M313-V316 PolarHBondContact O-N 2.75Å; M313-V316 HydrophobicContact SD-CB 3.53Å; M313-V316 VanDerWaalsContact SD-CB 3.53Å; M313-V316 HydrophobicContact SD-CG1 3.95Å; M313-V316 HydrophobicContact SD-CG2 3.35Å; M313-V316 WeakPolarHBondContact SD-CG2 3.41Å; M313-R317 PolarHBondContact O-N 2.85Å; M313-I345 HydrophobicContact CG-CD1 3.76Å; M313-I345 HydrophobicContact CG-CG1 4.47Å; M313-I345 HydrophobicContact CG-CG2 4.08Å; M313-I345 HydrophobicContact SD-CD1 3.87Å; M313-F353 HydrophobicContact CB-CD1 4.45Å; M313-F353 HydrophobicContact CB-CE1 4.03Å; M313-F353 HydrophobicContact CG-CE1 4.34Å
314	K	92.4	Very high	94.3	Very high	82 Å²	82	53.1 Å²	53.1	36%	0.357	27%	0.273	S	S	.	.	H	α-helix	trans	-56.7	-43.5	-179.4	-177.6	-179.9	175.3	-178.6	0	112.1	C311 V316 R317 D318 F353	C311-K314 WeakPolarHBondContact O-CB 3.38Å; C311-K314 PolarHBondContact O-N 3.49Å; C311-K314 VanDerWaalsContact O-N 3.15Å; K314-V316 VanDerWaalsContact C-N 3.26Å; K314-V316 PolarHBondContact O-N 2.03Å; K314-R317 WeakPolarHBondContact O-CB 3.3Å; K314-R317 PolarHBondContact O-N 3.05Å; K314-D318 PolarHBondContact O-N 2.75Å; K314-D318 VanDerWaalsContact O-N 3.15Å; K314-F353 HydrophobicContact CB-CG 4.46Å
315	W	94.4	Very high	93.9	Very high	33 Å²	33	55 Å²	55	13%	0.125	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-33.6	178.5	80.7	-94.4	0	0	0	112.2	L286 P287 Q288 I290 F291 K312 M313 R317 D318 W319	L286-W315 HydrophobicContact CB-CZ2 3.83Å; L286-W315 PolarHBondContact O-NE1 3.28Å; L286-W315 VanDerWaalsContact O-NE1 3.11Å; P287-W315 WeakPolarHBondContact O-CZ2 3.36Å; Q288-W315 HydrophobicContact CB-CD2 4.29Å; Q288-W315 HydrophobicContact CB-CG 4.1Å; Q288-W315 HydrophobicContact CG-CB 4.18Å; Q288-W315 HydrophobicContact CG-CD2 4.17Å; Q288-W315 HydrophobicContact CG-CG 3.94Å; I290-W315 HydrophobicContact CG2-CH2 3.93Å; I290-W315 HydrophobicContact CG2-CZ2 4.1Å; F291-W315 HydrophobicContact CD2-CH2 4.07Å; F291-W315 HydrophobicContact CE2-CH2 4.46Å; K312-W315 PolarHBondContact O-NE1 3.09Å; M313-W315 VanDerWaalsContact C-N 3.3Å; M313-W315 PolarHBondContact O-N 3.27Å; W315-R317 VanDerWaalsContact C-N 3.32Å; W315-R317 PolarHBondContact O-N 2.82Å; W315-D318 PolarHBondContact O-N 2.98Å; W315-W319 HydrophobicContact CE3-CB 4.02Å; W315-W319 HydrophobicContact CE3-CG 4.5Å; W315-W319 HydrophobicContact CZ3-CB 4.06Å; W315-W319 HydrophobicContact CZ3-CD2 4.45Å; W315-W319 HydrophobicContact CZ3-CG 4.07Å; W315-W319 WeakPolarHBondContact O-CB 3.47Å; W315-W319 PolarHBondContact O-N 2.83Å
316	V	95.7	Very high	93.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-39.8	178.8	176	0	0	0	0	110.2	L286 M313 K314 L320 L332 I345	L286-V316 HydrophobicContact CB-CG2 4.43Å; L286-V316 HydrophobicContact CD1-CG2 4.43Å; M313-V316 HydrophobicContact CG-CB 4.3Å; M313-V316 WeakPolarHBondContact O-CB 3.24Å; M313-V316 PolarHBondContact O-N 2.75Å; M313-V316 HydrophobicContact SD-CB 3.53Å; M313-V316 VanDerWaalsContact SD-CB 3.53Å; M313-V316 HydrophobicContact SD-CG1 3.95Å; M313-V316 HydrophobicContact SD-CG2 3.35Å; M313-V316 WeakPolarHBondContact SD-CG2 3.41Å; K314-V316 VanDerWaalsContact C-N 3.26Å; K314-V316 PolarHBondContact O-N 2.03Å; V316-L320 HydrophobicContact CG1-CD1 4.16Å; V316-L320 HydrophobicContact CG1-CG 4.35Å; V316-L320 WeakPolarHBondContact O-CB 3.14Å; V316-L320 WeakPolarHBondContact O-CG 3.45Å; V316-L320 PolarHBondContact O-N 2.03Å; V316-L332 HydrophobicContact CG1-CD1 3.99Å; V316-L332 HydrophobicContact CG1-CD2 4.49Å; V316-I345 HydrophobicContact CB-CG2 4.5Å; V316-I345 HydrophobicContact CG1-CG2 4.25Å
317	R	94.3	Very high	93.4	Very high	21 Å²	21	61.3 Å²	61.3	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-49.8	172.6	176.5	-151.4	63.1	-179	-1.9	111.1	M313 K314 W315 W319 L320 Q321 I345 L348 F353	M313-R317 PolarHBondContact O-N 2.85Å; K314-R317 WeakPolarHBondContact O-CB 3.3Å; K314-R317 PolarHBondContact O-N 3.05Å; W315-R317 VanDerWaalsContact C-N 3.32Å; W315-R317 PolarHBondContact O-N 2.82Å; R317-W319 VanDerWaalsContact C-N 3.25Å; R317-W319 PolarHBondContact O-N 2.99Å; R317-L320 WeakPolarHBondContact O-CB 3.18Å; R317-L320 PolarHBondContact O-N 3.24Å; R317-L320 VanDerWaalsContact O-N 3.13Å; R317-Q321 WeakPolarHBondContact O-CG 3.31Å; R317-Q321 PolarHBondContact O-N 3.01Å; R317-I345 HydrophobicContact CB-CG2 4.03Å; R317-I345 WeakPolarHBondContact CG-O 3.46Å; R317-L348 WeakPolarHBondContact CD-O 3.14Å; R317-L348 PolarHBondContact NH1-O 3.3Å; R317-F353 HydrophobicContact CB-CE2 4.48Å; R317-F353 HydrophobicContact CB-CZ 4.29Å
318	D	93	Very high	93.3	Very high	69 Å²	69	63.8 Å²	63.8	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-60.4	-40.8	-178.1	-63.1	-20.2	0	0	0	110.9	K314 W315 Q321 S322	K314-D318 PolarHBondContact O-N 2.75Å; K314-D318 VanDerWaalsContact O-N 3.15Å; W315-D318 PolarHBondContact O-N 2.98Å; D318-Q321 PolarHBondContact O-N 3.34Å; D318-S322 PolarHBondContact O-N 3.44Å; D318-S322 VanDerWaalsContact O-N 3.1Å; D318-S322 PolarHBondContact O-OG 2.99Å
319	W	95.1	Very high	93.3	Very high	35 Å²	35	59.1 Å²	59.1	13%	0.133	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-46.8	172.7	176.9	80.2	0	0	0	112.1	F291 L300 W315 R317 Q321 S322 L323 V329	F291-W319 HydrophobicContact CB-CZ2 3.99Å; F291-W319 HydrophobicContact CD2-CE3 4.47Å; F291-W319 AromaticContact CD2-CH2 3.73Å; F291-W319 HydrophobicContact CD2-CH2 3.73Å; F291-W319 AromaticContact CD2-CZ2 3.78Å; F291-W319 HydrophobicContact CD2-CZ2 3.78Å; F291-W319 HydrophobicContact CD2-CZ3 4.08Å; F291-W319 HydrophobicContact CE2-CH2 4.22Å; F291-W319 HydrophobicContact CE2-CZ3 4.33Å; F291-W319 HydrophobicContact CG-CH2 4.49Å; F291-W319 HydrophobicContact CG-CZ2 4.23Å; L300-W319 HydrophobicContact CD2-CH2 3.55Å; L300-W319 HydrophobicContact CD2-CZ3 4.07Å; W315-W319 HydrophobicContact CE3-CB 4.02Å; W315-W319 HydrophobicContact CE3-CG 4.5Å; W315-W319 HydrophobicContact CZ3-CB 4.06Å; W315-W319 HydrophobicContact CZ3-CD2 4.45Å; W315-W319 HydrophobicContact CZ3-CG 4.07Å; W315-W319 WeakPolarHBondContact O-CB 3.47Å; W315-W319 PolarHBondContact O-N 2.83Å; R317-W319 VanDerWaalsContact C-N 3.25Å; R317-W319 PolarHBondContact O-N 2.99Å; W319-Q321 PolarHBondContact O-N 3.05Å; W319-S322 PolarHBondContact O-N 3.26Å; W319-S322 VanDerWaalsContact O-N 3.08Å; W319-S322 PolarHBondContact O-OG 2.98Å; W319-L323 HydrophobicContact CD2-CD1 4.27Å; W319-L323 HydrophobicContact CD2-CD2 4.47Å; W319-L323 HydrophobicContact CD2-CG 4.26Å; W319-L323 HydrophobicContact CE3-CD1 4.03Å; W319-L323 HydrophobicContact CE3-CG 4.5Å; W319-L323 HydrophobicContact CH2-CD1 3.69Å; W319-L323 HydrophobicContact CH2-CD2 4.27Å; W319-L323 HydrophobicContact CH2-CG 4.39Å; W319-L323 HydrophobicContact CZ2-CD1 3.96Å; W319-L323 HydrophobicContact CZ2-CD2 3.7Å; W319-L323 HydrophobicContact CZ2-CG 4.17Å; W319-L323 HydrophobicContact CZ3-CD1 3.74Å; W319-L323 WeakPolarHBondContact O-CG 3.35Å; W319-L323 PolarHBondContact O-N 3.38Å; W319-V329 HydrophobicContact CH2-CG2 4.25Å; W319-V329 HydrophobicContact CZ3-CG2 4.37Å
320	L	94.3	Very high	93.2	Very high	31 Å²	31	64.8 Å²	64.8	16%	0.162	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-31.5	176.9	-74.9	172.2	0	0	0	113.1	V316 R317 L323 V329 L332 I345 K346	V316-L320 HydrophobicContact CG1-CD1 4.16Å; V316-L320 HydrophobicContact CG1-CG 4.35Å; V316-L320 WeakPolarHBondContact O-CB 3.14Å; V316-L320 WeakPolarHBondContact O-CG 3.45Å; V316-L320 PolarHBondContact O-N 2.03Å; R317-L320 WeakPolarHBondContact O-CB 3.18Å; R317-L320 PolarHBondContact O-N 3.24Å; R317-L320 VanDerWaalsContact O-N 3.13Å; L320-L323 HydrophobicContact CD2-CD1 3.91Å; L320-V329 HydrophobicContact CD2-CB 3.97Å; L320-V329 HydrophobicContact CD2-CG1 3.88Å; L320-V329 HydrophobicContact CD2-CG2 4Å; L320-L332 HydrophobicContact CD1-CD1 3.86Å; L320-L332 HydrophobicContact CD2-CD1 3.97Å; L320-L332 HydrophobicContact CG-CD1 4.3Å; L320-I345 HydrophobicContact CD1-CB 4.32Å; L320-I345 HydrophobicContact CD1-CG2 4.28Å; L320-K346 HydrophobicContact CB-CB 4.19Å; L320-K346 HydrophobicContact CD1-CB 3.99Å
321	Q	92.2	Very high	93.2	Very high	127 Å²	127	65.2 Å²	65.2	59%	0.593	34%	0.336	S	S	*	.	H	α-helix	trans	-79	-27.6	177.3	-69	-179.5	-3.9	0	0	112.8	R317 D318 W319 K346	R317-Q321 WeakPolarHBondContact O-CG 3.31Å; R317-Q321 PolarHBondContact O-N 3.01Å; D318-Q321 PolarHBondContact O-N 3.34Å; W319-Q321 PolarHBondContact O-N 3.05Å; Q321-K346 PolarHBondContact NE2-O 2.69Å
322	S	93.9	Very high	93.4	Very high	92 Å²	92	63 Å²	63	64%	0.643	32%	0.32	S	S	*	.	H	α-helix	trans	-85.9	-10.4	176.3	69.9	0	0	0	0	113.7	D318 W319	D318-S322 PolarHBondContact O-N 3.44Å; D318-S322 VanDerWaalsContact O-N 3.1Å; D318-S322 PolarHBondContact O-OG 2.99Å; W319-S322 PolarHBondContact O-N 3.26Å; W319-S322 VanDerWaalsContact O-N 3.08Å; W319-S322 PolarHBondContact O-OG 2.98Å
323	L	92.8	Very high	93.6	Very high	37 Å²	37	60.8 Å²	60.8	19%	0.194	31%	0.314	C	S	.	.	S	Bend	trans	-63.5	140.1	-178.6	-83.4	176.9	0	0	0	113.1	W319 L320 V327 V329	W319-L323 HydrophobicContact CD2-CD1 4.27Å; W319-L323 HydrophobicContact CD2-CD2 4.47Å; W319-L323 HydrophobicContact CD2-CG 4.26Å; W319-L323 HydrophobicContact CE3-CD1 4.03Å; W319-L323 HydrophobicContact CE3-CG 4.5Å; W319-L323 HydrophobicContact CH2-CD1 3.69Å; W319-L323 HydrophobicContact CH2-CD2 4.27Å; W319-L323 HydrophobicContact CH2-CG 4.39Å; W319-L323 HydrophobicContact CZ2-CD1 3.96Å; W319-L323 HydrophobicContact CZ2-CD2 3.7Å; W319-L323 HydrophobicContact CZ2-CG 4.17Å; W319-L323 HydrophobicContact CZ3-CD1 3.74Å; W319-L323 WeakPolarHBondContact O-CG 3.35Å; W319-L323 PolarHBondContact O-N 3.38Å; L320-L323 HydrophobicContact CD2-CD1 3.91Å; L323-V327 HydrophobicContact CD1-CG1 4.25Å; L323-V327 HydrophobicContact CD2-CB 4.26Å; L323-V327 HydrophobicContact CD2-CG1 4.17Å; L323-V327 HydrophobicContact CD2-CG2 4.23Å; L323-V329 HydrophobicContact CD1-CG2 3.52Å
324	P	92.1	Very high	93.7	Very high	84 Å²	84	61 Å²	61	55%	0.545	32%	0.315	S	S	.	.			trans	-62.3	148	170.2	-20.4	31.6	0	0	0	112.4	K326 V327	P324-K326 PolarHBondContact O-N 3.08Å; P324-V327 HydrophobicContact CB-CG2 4.4Å; P324-V327 HydrophobicContact CG-CG2 4.42Å; P324-V327 PolarHBondContact O-N 2.98Å
325	V	89.6	Confident	93.9	Very high	155 Å²	155	61.5 Å²	61.5	94%	0.939	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.8	179.3	-177	0	0	0	0	113.2	V327	V325-V327 VanDerWaalsContact C-N 3.27Å; V325-V327 PolarHBondContact O-N 3.34Å
326	K	91.7	Very high	93.9	Very high	148 Å²	148	61.4 Å²	61.4	64%	0.643	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.5	176.8	-175.7	-177.6	173.3	-168.9	0	112.8	T298 P324 N328	T298-K326 HydrophobicContact CG2-CG 4.4Å; P324-K326 PolarHBondContact O-N 3.08Å; K326-N328 PolarHBondContact O-N 3.27Å
327	V	93.6	Very high	93.8	Very high	26 Å²	26	63.8 Å²	63.8	16%	0.158	34%	0.341	C	S	.	.			trans	-81.5	115.3	-173.9	-171.6	0	0	0	0	109.9	I297 L323 P324 V325 V329	I297-V327 HydrophobicContact CG2-CG1 4.14Å; I297-V327 WeakPolarHBondContact O-CG2 3.35Å; L323-V327 HydrophobicContact CD1-CG1 4.25Å; L323-V327 HydrophobicContact CD2-CB 4.26Å; L323-V327 HydrophobicContact CD2-CG1 4.17Å; L323-V327 HydrophobicContact CD2-CG2 4.23Å; P324-V327 HydrophobicContact CB-CG2 4.4Å; P324-V327 HydrophobicContact CG-CG2 4.42Å; P324-V327 PolarHBondContact O-N 2.98Å; V325-V327 VanDerWaalsContact C-N 3.27Å; V325-V327 PolarHBondContact O-N 3.34Å; V327-V329 HydrophobicContact CG1-CG2 4Å
328	N	94.1	Very high	93.7	Very high	53 Å²	53	69.1 Å²	69.1	28%	0.283	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	102.2	177.6	-174.1	-16.8	0	0	0	110.2	T298 L300 K326 R330	T298-N328 WeakPolarHBondContact O-CB 3.4Å; T298-N328 PolarHBondContact O-N 3.32Å; L300-N328 PolarHBondContact N-O 2.89Å; K326-N328 PolarHBondContact O-N 3.27Å; N328-R330 VanDerWaalsContact OD1-CG 3.3Å; N328-R330 WeakPolarHBondContact OD1-CG 3.39Å; N328-R330 PolarHBondContact OD1-NE 3.5Å; N328-R330 PolarHBondContact OD1-NH1 3.34Å; N328-R330 PolarHBondContact OD1-NH2 3.45Å
329	V	95.8	Very high	93.6	Very high	23 Å²	23	73.7 Å²	73.7	14%	0.139	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.2	172.1	-168.6	0	0	0	0	110.4	L300 W319 L320 L323 V327 L332	L300-V329 HydrophobicContact CB-CG1 4.34Å; L300-V329 HydrophobicContact CB-CG2 4.26Å; L300-V329 HydrophobicContact CD2-CG1 4.1Å; L300-V329 HydrophobicContact CD2-CG2 4.43Å; L300-V329 HydrophobicContact CG-CG1 4.29Å; L300-V329 WeakPolarHBondContact O-CA 3.36Å; W319-V329 HydrophobicContact CH2-CG2 4.25Å; W319-V329 HydrophobicContact CZ3-CG2 4.37Å; L320-V329 HydrophobicContact CD2-CB 3.97Å; L320-V329 HydrophobicContact CD2-CG1 3.88Å; L320-V329 HydrophobicContact CD2-CG2 4Å; L323-V329 HydrophobicContact CD1-CG2 3.52Å; V327-V329 HydrophobicContact CG1-CG2 4Å; V329-L332 HydrophobicContact CG1-CD1 3.66Å; V329-L332 HydrophobicContact CG1-CG 4.41Å
330	R	94.6	Very high	93.5	Very high	121 Å²	121	72.2 Å²	72.2	46%	0.457	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.2	178.6	-62.6	-67.3	-175.7	-99.2	0.8	111.5	L300 L302 N328	L300-R330 PolarHBondContact O-N 3.01Å; L302-R330 PolarHBondContact N-O 2.93Å; N328-R330 VanDerWaalsContact OD1-CG 3.3Å; N328-R330 WeakPolarHBondContact OD1-CG 3.39Å; N328-R330 PolarHBondContact OD1-NE 3.5Å; N328-R330 PolarHBondContact OD1-NH1 3.34Å; N328-R330 PolarHBondContact OD1-NH2 3.45Å
331	G	92.2	Very high	93.5	Very high	15 Å²	15	77.2 Å²	77.2	16%	0.155	40%	0.395	C	S	.	.			trans	95	0.2	169.3	0	0	0	0	0	116.9	L302 W307 M333	L302-G331 CarbonylContact O-C 3.34Å; L302-G331 VanDerWaalsContact O-O 3.09Å; W307-G331 PolarHBondContact NE1-O 3.24Å; G331-M333 VanDerWaalsContact C-N 3.33Å; G331-M333 PolarHBondContact O-N 2.79Å
332	L	95.3	Very high	93.5	Very high	14 Å²	14	73.9 Å²	73.9	7%	0.073	39%	0.394	C	S	.	.			trans	-82.3	74.1	175.5	-75.3	171.4	0	0	0	111.6	L302 W307 V316 L320 V329 I345	L302-L332 HydrophobicContact CB-CD2 4.41Å; L302-L332 HydrophobicContact CB-CG 4.34Å; L302-L332 HydrophobicContact CD1-CD1 4Å; L302-L332 HydrophobicContact CD1-CD2 3.72Å; L302-L332 HydrophobicContact CD1-CG 3.84Å; W307-L332 HydrophobicContact CD2-CD2 4.07Å; W307-L332 HydrophobicContact CH2-CD2 4.42Å; W307-L332 HydrophobicContact CZ2-CD2 3.95Å; V316-L332 HydrophobicContact CG1-CD1 3.99Å; V316-L332 HydrophobicContact CG1-CD2 4.49Å; L320-L332 HydrophobicContact CD1-CD1 3.86Å; L320-L332 HydrophobicContact CD2-CD1 3.97Å; L320-L332 HydrophobicContact CG-CD1 4.3Å; V329-L332 HydrophobicContact CG1-CD1 3.66Å; V329-L332 HydrophobicContact CG1-CG 4.41Å; L332-I345 HydrophobicContact CB-CD1 4.07Å; L332-I345 HydrophobicContact CB-CG1 4.48Å; L332-I345 HydrophobicContact CD2-CD1 4.04Å; L332-I345 PolarHBondContact O-N 2.8Å; L332-I345 VanDerWaalsContact O-N 3.1Å
333	M	95.2	Very high	93.5	Very high	111 Å²	111	73.8 Å²	73.8	55%	0.547	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-118.2	134.5	175.1	-63.2	179.9	-64.3	0	0	109.9	W307 G331 Q335 M343	W307-M333 VanDerWaalsContact CD1-O 3.32Å; G331-M333 VanDerWaalsContact C-N 3.33Å; G331-M333 PolarHBondContact O-N 2.79Å; M333-Q335 PolarHBondContact O-N 2.94Å; M333-M343 WeakPolarHBondContact CA-O 3.22Å
334	C	95.9	Very high	93.6	Very high	3 Å²	3	73.3 Å²	73.3	2%	0.02	39%	0.386	C	S	.	.			trans	-66.4	131.4	-177.9	-60.2	0	0	0	0	111.3	C309 V340 R341 G342 M343 L348	C309-C334 HydrophobicContact CB-CB 3.81Å; C309-C334 WeakPolarHBondContact CB-SG 3.45Å; C309-C334 WeakPolarHBondContact SG-CA 3.41Å; C309-C334 WeakPolarHBondContact SG-CB 3.36Å; C309-C334 CovalentContact SG-SG 2.01Å; C309-C334 PolarHBondContact SG-SG 2.76Å; C334-V340 HydrophobicContact CB-CG2 4.22Å; C334-V340 WeakPolarHBondContact CB-O 3.44Å; C334-R341 CarbonylContact O-C 3.22Å; C334-R341 WeakPolarHBondContact O-CA 3.44Å; C334-G342 PolarHBondContact O-N 2.83Å; C334-M343 PolarHBondContact N-O 3.25Å; C334-L348 WeakPolarHBondContact SG-CD1 3.38Å
335	Q	96.7	Very high	93.7	Very high	93 Å²	93	69.3 Å²	69.3	44%	0.435	36%	0.36	S	S	.	.			trans	-101.3	-28	168.8	-175.2	165.3	-18.7	0	0	111.7	P306 W307 M333 R341	P306-Q335 VanDerWaalsContact CA-OE1 3.24Å; W307-Q335 PolarHBondContact O-N 2.8Å; M333-Q335 PolarHBondContact O-N 2.94Å; Q335-R341 WeakPolarHBondContact O-CD 3.34Å; Q335-R341 WeakPolarHBondContact O-CG 3.21Å
336	A	93.8	Very high	93.8	Very high	32 Å²	32	67.4 Å²	67.4	26%	0.264	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-142.9	157.5	176.6	0	0	0	0	0	110.6	W307 Y308 C309	W307-A336 PolarHBondContact O-N 2.97Å; W307-A336 VanDerWaalsContact O-N 3.14Å; Y308-A336 CarbonylContact C-O 3.6Å; Y308-A336 WeakPolarHBondContact CA-O 3.32Å; Y308-A336 HydrophobicContact CD2-CB 3.73Å; Y308-A336 HydrophobicContact CE2-CB 4.38Å; C309-A336 PolarHBondContact N-O 2.87Å
337	P	93.8	Very high	93.7	Very high	49 Å²	49	65.5 Å²	65.5	32%	0.318	34%	0.336	S	S	.	.	S	Bend	cis	-66	164	-10.4	-19.2	32.3	0	0	0	113.6	Y308 K339 V340 R341	Y308-P337 HydrophobicContact CE2-CG 3.85Å; P337-K339 PolarHBondContact O-N 2.96Å; P337-V340 PolarHBondContact O-N 3Å; P337-R341 PolarHBondContact O-N 2.85Å
338	E	91.9	Very high	93.5	Very high	134 Å²	134	64.6 Å²	64.6	63%	0.626	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-52.7	-32.9	-178.3	-71.4	-59.9	146.6	0	0	113.7	V340 R341	E338-V340 PolarHBondContact O-N 2.88Å; E338-V340 VanDerWaalsContact O-N 3.17Å; E338-R341 PolarHBondContact O-N 2.81Å; E338-R341 IonicContact OE1-CZ 2.79Å; E338-R341 IonicContact OE1-NH1 3.16Å; E338-R341 PolarHBondContact OE1-NH1 2.88Å; E338-R341 WeakPolarHBondContact OE2-CD 3.2Å; E338-R341 IonicContact OE2-NH1 2.56Å; E338-R341 PolarHBondContact OE2-NH1 3.11Å
339	K	91.1	Very high	93	Very high	165 Å²	165	67.3 Å²	67.3	72%	0.717	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-56.3	-32.4	178.2	-174.4	179.8	177.1	-174.1	0	113.8	P337	P337-K339 PolarHBondContact O-N 2.96Å
340	V	93.1	Very high	92.1	Very high	4 Å²	4	68.2 Å²	68.2	2%	0.024	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-119.5	12.7	-176.3	-64.2	0	0	0	0	112.3	C309 C334 P337 E338 G342 M343 L348 L352	C309-V340 HydrophobicContact CB-CG2 3.99Å; C334-V340 HydrophobicContact CB-CG2 4.22Å; C334-V340 WeakPolarHBondContact CB-O 3.44Å; P337-V340 PolarHBondContact O-N 3Å; E338-V340 PolarHBondContact O-N 2.88Å; E338-V340 VanDerWaalsContact O-N 3.17Å; V340-G342 PolarHBondContact O-N 2.96Å; V340-M343 HydrophobicContact CB-SD 4.14Å; V340-M343 HydrophobicContact CG1-SD 4.23Å; V340-M343 WeakPolarHBondContact O-CB 3.37Å; V340-M343 PolarHBondContact O-N 2.96Å; V340-L348 HydrophobicContact CB-CD1 4.43Å; V340-L348 HydrophobicContact CB-CD2 4.17Å; V340-L348 HydrophobicContact CG1-CD2 3.97Å; V340-L352 HydrophobicContact CG1-CB 4.4Å
341	R	94.4	Very high	91.1	Very high	135 Å²	135	71.2 Å²	71.2	51%	0.509	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	134.9	-178.5	-178.3	172.8	-179	173.9	-2.1	111	C334 Q335 P337 E338 M343	C334-R341 CarbonylContact O-C 3.22Å; C334-R341 WeakPolarHBondContact O-CA 3.44Å; Q335-R341 WeakPolarHBondContact O-CD 3.34Å; Q335-R341 WeakPolarHBondContact O-CG 3.21Å; P337-R341 PolarHBondContact O-N 2.85Å; E338-R341 PolarHBondContact O-N 2.81Å; E338-R341 IonicContact OE1-CZ 2.79Å; E338-R341 IonicContact OE1-NH1 3.16Å; E338-R341 PolarHBondContact OE1-NH1 2.88Å; E338-R341 WeakPolarHBondContact OE2-CD 3.2Å; E338-R341 IonicContact OE2-NH1 2.56Å; E338-R341 PolarHBondContact OE2-NH1 3.11Å; R341-M343 PolarHBondContact O-N 3.21Å
342	G	92.6	Very high	90.5	Very high	57 Å²	57	73.5 Å²	73.5	59%	0.588	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-10.4	-176.8	0	0	0	0	0	114.9	C334 V340	C334-G342 PolarHBondContact O-N 2.83Å; V340-G342 PolarHBondContact O-N 2.96Å
343	M	93.3	Very high	89.7	Confident	91 Å²	91	73 Å²	73	45%	0.448	38%	0.38	S	S	.	.			trans	-77.9	143.1	178.5	-60.2	-179.4	-177.4	0	0	111.2	M333 C334 V340 R341 L348	M333-M343 WeakPolarHBondContact CA-O 3.22Å; C334-M343 PolarHBondContact N-O 3.25Å; V340-M343 HydrophobicContact CB-SD 4.14Å; V340-M343 HydrophobicContact CG1-SD 4.23Å; V340-M343 WeakPolarHBondContact O-CB 3.37Å; V340-M343 PolarHBondContact O-N 2.96Å; R341-M343 PolarHBondContact O-N 3.21Å; M343-L348 HydrophobicContact CB-CD2 3.92Å; M343-L348 HydrophobicContact CG-CD2 4.47Å; M343-L348 HydrophobicContact SD-CD2 3.72Å
344	A	94.4	Very high	88.6	Confident	27 Å²	27	73.7 Å²	73.7	22%	0.223	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-75.3	135.5	174.1	0	0	0	0	0	110.7	K346 D347	A344-K346 VanDerWaalsContact C-N 3.26Å; A344-K346 HydrophobicContact CB-CG 4.17Å; A344-K346 PolarHBondContact O-N 3.12Å; A344-D347 PolarHBondContact O-N 3.26Å
345	I	94.4	Very high	87.8	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-59.5	-37.1	-174.4	-65.8	177.2	0	0	0	112.1	W307 C309 M313 V316 R317 L320 L332 D347 L348 F353	W307-I345 HydrophobicContact CB-CD1 4.42Å; C309-I345 VanDerWaalsContact SG-CG1 3.59Å; M313-I345 HydrophobicContact CG-CD1 3.76Å; M313-I345 HydrophobicContact CG-CG1 4.47Å; M313-I345 HydrophobicContact CG-CG2 4.08Å; M313-I345 HydrophobicContact SD-CD1 3.87Å; V316-I345 HydrophobicContact CB-CG2 4.5Å; V316-I345 HydrophobicContact CG1-CG2 4.25Å; R317-I345 HydrophobicContact CB-CG2 4.03Å; R317-I345 WeakPolarHBondContact CG-O 3.46Å; L320-I345 HydrophobicContact CD1-CB 4.32Å; L320-I345 HydrophobicContact CD1-CG2 4.28Å; L332-I345 HydrophobicContact CB-CD1 4.07Å; L332-I345 HydrophobicContact CB-CG1 4.48Å; L332-I345 HydrophobicContact CD2-CD1 4.04Å; L332-I345 PolarHBondContact O-N 2.8Å; L332-I345 VanDerWaalsContact O-N 3.1Å; I345-D347 PolarHBondContact O-N 3.24Å; I345-L348 PolarHBondContact O-N 3.1Å; I345-F353 HydrophobicContact CG2-CZ 4.48Å
346	K	91.8	Very high	86.6	Confident	115 Å²	115	78.9 Å²	78.9	50%	0.5	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-60.8	-26.6	178.8	58	162.2	-164.7	172.3	0	114.2	L320 Q321 A344	L320-K346 HydrophobicContact CB-CB 4.19Å; L320-K346 HydrophobicContact CD1-CB 3.99Å; Q321-K346 PolarHBondContact NE2-O 2.69Å; A344-K346 VanDerWaalsContact C-N 3.26Å; A344-K346 HydrophobicContact CB-CG 4.17Å; A344-K346 PolarHBondContact O-N 3.12Å
347	D	90.4	Very high	84.6	Confident	107 Å²	107	84.9 Å²	84.9	57%	0.572	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-98.8	-0.1	-172.5	-57.3	-36.4	0	0	0	111.8	A344 I345	A344-D347 PolarHBondContact O-N 3.26Å; I345-D347 PolarHBondContact O-N 3.24Å
348	L	88.8	Confident	82.3	Confident	7 Å²	7	87.7 Å²	87.7	4%	0.037	46%	0.459	C	S	.	.			trans	-81.4	133.5	179.8	-72.5	-179.7	0	0	0	113.1	C309 R317 C334 V340 M343 I345 L352 F353	C309-L348 HydrophobicContact CB-CD1 4.14Å; R317-L348 WeakPolarHBondContact CD-O 3.14Å; R317-L348 PolarHBondContact NH1-O 3.3Å; C334-L348 WeakPolarHBondContact SG-CD1 3.38Å; V340-L348 HydrophobicContact CB-CD1 4.43Å; V340-L348 HydrophobicContact CB-CD2 4.17Å; V340-L348 HydrophobicContact CG1-CD2 3.97Å; M343-L348 HydrophobicContact CB-CD2 3.92Å; M343-L348 HydrophobicContact CG-CD2 4.47Å; M343-L348 HydrophobicContact SD-CD2 3.72Å; I345-L348 PolarHBondContact O-N 3.1Å; L348-L352 HydrophobicContact CD2-CD1 4.01Å; L348-F353 HydrophobicContact CB-CE2 3.68Å; L348-F353 HydrophobicContact CB-CZ 3.76Å; L348-F353 HydrophobicContact CD1-CE1 4.06Å; L348-F353 HydrophobicContact CD1-CE2 4.33Å; L348-F353 HydrophobicContact CD1-CZ 3.71Å; L348-F353 HydrophobicContact CG-CZ 4.4Å
349	N	84.6	Confident	79.9	Confident	111 Å²	111	84.2 Å²	84.2	59%	0.594	46%	0.459	S	S	*	.			trans	-68	151.3	171.4	-68.1	-14.6	0	0	0	111.9	E351 L352 F353	N349-E351 PolarHBondContact O-N 2.93Å; N349-L352 HydrophobicContact CB-CD1 4.15Å; N349-L352 HydrophobicContact CB-CG 4.24Å; N349-L352 PolarHBondContact O-N 2.97Å; N349-L352 VanDerWaalsContact O-N 3.12Å; N349-F353 WeakPolarHBondContact O-CD2 3.4Å
350	A	76.1	Confident	77.4	Confident	42 Å²	42	83 Å²	83	35%	0.347	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-62.3	-33.7	-175	0	0	0	0	0	112.7	L352 F353	A350-L352 VanDerWaalsContact C-N 3.25Å; A350-L352 PolarHBondContact O-N 2.79Å; A350-F353 PolarHBondContact O-N 3.45Å
351	E	74.3	Confident	74.9	Confident	184 Å²	184	88.2 Å²	88.2	86%	0.86	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-73.4	-16.1	-177.9	-59.4	170	-170.7	0	0	112.9	N349	N349-E351 PolarHBondContact O-N 2.93Å
352	L	77.8	Confident	72	Confident	63 Å²	63	86 Å²	86	33%	0.33	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-82.5	-17.8	177.6	-65.7	174.6	0	0	0	112.6	V340 L348 N349 A350 D354	V340-L352 HydrophobicContact CG1-CB 4.4Å; L348-L352 HydrophobicContact CD2-CD1 4.01Å; N349-L352 HydrophobicContact CB-CD1 4.15Å; N349-L352 HydrophobicContact CB-CG 4.24Å; N349-L352 PolarHBondContact O-N 2.97Å; N349-L352 VanDerWaalsContact O-N 3.12Å; A350-L352 VanDerWaalsContact C-N 3.25Å; A350-L352 PolarHBondContact O-N 2.79Å; L352-D354 PolarHBondContact O-N 3.07Å
353	F	78.6	Confident	69.1	Low	4 Å²	4	88.8 Å²	88.8	2%	0.018	50%	0.502	C	S	.	.	S	Bend	trans	-79.8	112	167.1	-61.1	-83.3	0	0	0	106.9	C309 G310 M313 K314 R317 I345 L348 N349 A350 C355	C309-F353 HydrophobicContact CB-CE1 4.15Å; G310-F353 VanDerWaalsContact O-CD1 3.24Å; G310-F353 WeakPolarHBondContact O-CD1 3.29Å; M313-F353 HydrophobicContact CB-CD1 4.45Å; M313-F353 HydrophobicContact CB-CE1 4.03Å; M313-F353 HydrophobicContact CG-CE1 4.34Å; K314-F353 HydrophobicContact CB-CG 4.46Å; R317-F353 HydrophobicContact CB-CE2 4.48Å; R317-F353 HydrophobicContact CB-CZ 4.29Å; I345-F353 HydrophobicContact CG2-CZ 4.48Å; L348-F353 HydrophobicContact CB-CE2 3.68Å; L348-F353 HydrophobicContact CB-CZ 3.76Å; L348-F353 HydrophobicContact CD1-CE1 4.06Å; L348-F353 HydrophobicContact CD1-CE2 4.33Å; L348-F353 HydrophobicContact CD1-CZ 3.71Å; L348-F353 HydrophobicContact CG-CZ 4.4Å; N349-F353 WeakPolarHBondContact O-CD2 3.4Å; A350-F353 PolarHBondContact O-N 3.45Å; F353-C355 PolarHBondContact O-N 3.5Å
354	D	73.3	Confident	66.4	Low	125 Å²	125	90.8 Å²	90.8	67%	0.668	51%	0.512	S	S	*	.			trans	-66.6	67.3	179.1	-170.7	19.2	0	0	0	111.2	L352 K356	L352-D354 PolarHBondContact O-N 3.07Å; D354-K356 PolarHBondContact O-N 2.86Å
355	C	78.2	Confident	63.5	Low	37 Å²	37	98 Å²	98	25%	0.25	54%	0.542	C	S	.	.			trans	-84.5	88.5	171.9	-71.6	0	0	0	0	106.8	C311 F353 D357	C311-C355 WeakPolarHBondContact CA-SG 3.32Å; C311-C355 HydrophobicContact CB-CB 3.89Å; C311-C355 WeakPolarHBondContact CB-SG 3.08Å; C311-C355 VanDerWaalsContact SG-CA 3.54Å; C311-C355 WeakPolarHBondContact SG-CB 3.44Å; C311-C355 CovalentContact SG-SG 2.04Å; C311-C355 PolarHBondContact SG-SG 2.92Å; F353-C355 PolarHBondContact O-N 3.5Å; C355-D357 PolarHBondContact O-N 3.22Å; C355-D357 VanDerWaalsContact O-N 3.1Å
356	K	72.6	Confident	60.5	Low	168 Å²	168	104.1 Å²	104.1	73%	0.73	57%	0.573	S	S	*	*			trans	-61.3	116.8	160.1	-69.1	-175.8	-178.6	179.7	0	106.5	D354 S358	D354-K356 PolarHBondContact O-N 2.86Å; K356-S358 PolarHBondContact O-N 3.07Å
357	D	52.3	Low	57.6	Low	157 Å²	157	105 Å²	105	84%	0.84	59%	0.589	S	S	*	*			trans	-55.2	95.8	168.5	-76.2	-36.8	0	0	0	107.2	C355 G359	C355-D357 PolarHBondContact O-N 3.22Å; C355-D357 VanDerWaalsContact O-N 3.1Å; D357-G359 PolarHBondContact O-N 3.19Å
358	S	45.3	Very low	54.7	Low	109 Å²	109	105.8 Å²	105.8	76%	0.762	60%	0.597	S	S	*	*			trans	-77.2	53.4	164.2	-58	0	0	0	0	107.3	K356 I360	K356-S358 PolarHBondContact O-N 3.07Å; S358-I360 PolarHBondContact O-N 3.35Å
359	G	41.6	Very low	51.9	Low	60 Å²	60	110.1 Å²	110.1	62%	0.619	63%	0.634	S	S	*	*			trans	-72	72.3	152	0	0	0	0	0	107	D357 V361	D357-G359 PolarHBondContact O-N 3.19Å; G359-V361 PolarHBondContact O-N 3.47Å
360	I	38.4	Very low	49.4	Very low	140 Å²	140	111.4 Å²	111.4	72%	0.718	64%	0.639	S	S	*	*			trans	-69.9	81	147.9	-56.8	177.7	0	0	0	104	S358 S362	S358-I360 PolarHBondContact O-N 3.35Å; I360-S362 WeakPolarHBondContact CG2-OG 3.24Å; I360-S362 PolarHBondContact O-N 3.38Å
361	V	38.8	Very low	47.4	Very low	113 Å²	113	115 Å²	115	69%	0.685	66%	0.659	S	S	*	*			trans	-65.1	95	149.2	-178.6	0	0	0	0	103	G359 T363	G359-V361 PolarHBondContact O-N 3.47Å; V361-T363 HydrophobicContact CG1-CG2 3.86Å; V361-T363 PolarHBondContact O-N 3.38Å
362	S	34.2	Very low	45.1	Very low	88 Å²	88	112.3 Å²	112.3	62%	0.615	65%	0.651	S	S	*	*			trans	-61.4	84.4	161.1	-58.6	0	0	0	0	106.1	I360 I364	I360-S362 WeakPolarHBondContact CG2-OG 3.24Å; I360-S362 PolarHBondContact O-N 3.38Å; S362-I364 PolarHBondContact O-N 3.06Å
363	T	32.8	Very low	42.8	Very low	117 Å²	117	115.6 Å²	115.6	72%	0.718	67%	0.673	S	S	*	*			trans	-66.5	80.8	158.6	45.1	0	0	0	0	106	V361 Q365	V361-T363 HydrophobicContact CG1-CG2 3.86Å; V361-T363 PolarHBondContact O-N 3.38Å; T363-Q365 PolarHBondContact O-N 3.24Å
364	I	36.2	Very low	40.4	Very low	132 Å²	132	122 Å²	122	68%	0.677	71%	0.712	S	S	*	*			trans	-65.2	98.9	156.8	-56.3	177.9	0	0	0	104	S362 I366	S362-I364 PolarHBondContact O-N 3.06Å; I364-I366 HydrophobicContact CB-CG1 4.29Å; I364-I366 HydrophobicContact CG2-CD1 4.26Å; I364-I366 HydrophobicContact CG2-CG1 3.49Å; I364-I366 VanDerWaalsContact CG2-CG1 3.49Å; I364-I366 PolarHBondContact O-N 2.63Å
365	Q	32.8	Very low	38.2	Very low	180 Å²	180	126.2 Å²	126.2	84%	0.841	72%	0.721	S	S	*	*			trans	-65.5	92.8	161.4	-79.9	-172.3	-37	0	0	106.8	T363 T367	T363-Q365 PolarHBondContact O-N 3.24Å; Q365-T367 PolarHBondContact O-N 3.07Å
366	I	31.5	Very low	36.2	Very low	128 Å²	128	130.2 Å²	130.2	66%	0.656	75%	0.746	S	S	*	*			trans	-79.3	99	167.6	-56.4	176.4	0	0	0	106	I364 T368	I364-I366 HydrophobicContact CB-CG1 4.29Å; I364-I366 HydrophobicContact CG2-CD1 4.26Å; I364-I366 HydrophobicContact CG2-CG1 3.49Å; I364-I366 VanDerWaalsContact CG2-CG1 3.49Å; I364-I366 PolarHBondContact O-N 2.63Å; I366-T368 HydrophobicContact CG2-CG2 4.2Å; I366-T368 PolarHBondContact O-N 3.03Å; I366-T368 VanDerWaalsContact O-N 3.11Å
367	T	30.7	Very low	34	Very low	134 Å²	134	126.2 Å²	126.2	82%	0.822	74%	0.744	S	S	*	*			trans	-66.7	102.6	160.3	43.9	0	0	0	0	108	Q365 A369	Q365-T367 PolarHBondContact O-N 3.07Å; T367-A369 PolarHBondContact O-N 2.66Å
368	T	29.7	Very low	33	Very low	123 Å²	123	128.1 Å²	128.1	76%	0.755	75%	0.748	S	S	*	*			trans	-74.5	112.6	171.6	46.4	0	0	0	0	110.1	I366	I366-T368 HydrophobicContact CG2-CG2 4.2Å; I366-T368 PolarHBondContact O-N 3.03Å; I366-T368 VanDerWaalsContact O-N 3.11Å
369	A	30	Very low	32.2	Very low	97 Å²	97	126.7 Å²	126.7	80%	0.802	75%	0.751	S	S	*	*			trans	-108	118.3	152.6	0	0	0	0	0	107.6	T367	T367-A369 PolarHBondContact O-N 2.66Å
370	I	32.3	Very low	31.5	Very low	139 Å²	139	132.7 Å²	132.7	71%	0.713	76%	0.763	S	S	*	*			trans	-77.4	148.4	179.8	-51.5	162	0	0	0	107.9
371	P	33.4	Very low	30.8	Very low	116 Å²	116	137 Å²	137	75%	0.753	77%	0.77	S	S	*	*				-140.4	130.6	99.9	22	-0.7	0	0	0	114.8
372	N	26.7	Very low	30.6	Very low	129 Å²	129	137.2 Å²	137.2	69%	0.69	77%	0.774	S	S	*	*			trans	37.3	123	135.4	-56.4	-15.6	0	0	0	119.5
373	T	29.7	Very low	30.4	Very low	132 Å²	132	137 Å²	137	81%	0.81	78%	0.777	S	S	*	*				-177.7	124.9	103.8	28.2	0	0	0	0	112.9
374	V	27.1	Very low	30.2	Very low	138 Å²	138	137.4 Å²	137.4	84%	0.836	78%	0.782	S	S	*	*			trans	68.3	105.8	137.7	-170.9	0	0	0	0	120.6
375	Y	27.7	Very low	29.7	Very low	214 Å²	214	137.1 Å²	137.1	84%	0.839	79%	0.786	S	S	*	*			trans	-61.4	167.4	155.3	-87.7	-80.2	0	0	0	113
376	P	36.1	Very low	29.3	Very low	120 Å²	120	134.3 Å²	134.3	78%	0.779	78%	0.781	S	S	*	*			cis	-146.2	146.6	49.6	30.9	-5.3	0	0	0	117.7
377	A	27.7	Very low	29.1	Very low	84 Å²	84	137.8 Å²	137.8	69%	0.694	79%	0.791	S	S	*	*				81.2	143.9	100.8	0	0	0	0	0	113.9
378	Q	30.7	Very low	28.9	Very low	197 Å²	197	140.4 Å²	140.4	92%	0.921	79%	0.794	S	S	*	*			cis	-160.4	164.8	30.1	-72	175.7	-52.8	0	0	110.5
379	G	29.1	Very low	28.8	Very low	80 Å²	80	140.1 Å²	140.1	83%	0.825	80%	0.795	S	S	*	*			trans	149.6	96.6	151.9	0	0	0	0	0	115.8
380	Q	26.5	Very low	28.5	Very low	186 Å²	186	143.3 Å²	143.3	87%	0.869	80%	0.799	S	S	*	*			trans	-85.3	142.2	-177.7	-74.8	166	-45.2	0	0	114.5
381	W	24.2	Very low	28.3	Very low	230 Å²	230	144.7 Å²	144.7	87%	0.871	81%	0.806	S	S	*	*			trans	33.2	162.6	130.4	-67.4	76.1	0	0	0	122.3
382	P	34.6	Very low	27.9	Very low	118 Å²	118	148.6 Å²	148.6	77%	0.766	81%	0.811	S	S	*	*			cis	-138.5	179.4	12.2	29.7	-4.5	0	0	0	117.2
383	A	29.3	Very low	27.8	Very low	82 Å²	82	150.2 Å²	150.2	68%	0.678	82%	0.819	S	S	*	*			trans	-72	168	178.1	0	0	0	0	0	116.1
384	P	27.8	Very low	27.7	Very low	127 Å²	127	150 Å²	150	83%	0.825	82%	0.82	S	S	*	*			trans	-125.3	143.3	149.4	29	-12	0	0	0	114.7
385	V	26.1	Very low	27.5	Very low	126 Å²	126	153.2 Å²	153.2	76%	0.764	82%	0.823	S	S	*	*			trans	-79.9	144.3	170.7	169.6	0	0	0	0	110.1
386	T	25.4	Very low	27.5	Very low	120 Å²	120	150.8 Å²	150.8	74%	0.736	82%	0.824	S	S	*	*				177.7	123.4	126	27	0	0	0	0	116
387	K	25.9	Very low	26.9	Very low	201 Å²	201	151.8 Å²	151.8	87%	0.874	83%	0.827	S	S	*	*				57.4	121.6	128	-64.6	179.8	-179.7	-177.5	0	122.2
388	Q	26.1	Very low	26.9	Very low	189 Å²	189	156.6 Å²	156.6	88%	0.883	83%	0.833	S	S	*	*			trans	-99.8	152.5	166.3	-169.9	175.4	11.7	0	0	110
389	P	28.3	Very low	26.5	Very low	118 Å²	118	155.1 Å²	155.1	77%	0.766	83%	0.831	S	S	*	*			trans	-107.9	139	167.7	29.3	-16	0	0	0	113.9
390	D	23.4	Very low	26.4	Very low	164 Å²	164	160.3 Å²	160.3	88%	0.877	83%	0.833	S	S	*	*			trans	-72.1	138.4	169.4	-84.7	-51.1	0	0	0	112.8
391	I	28.8	Very low	26.3	Very low	168 Å²	168	160.3 Å²	160.3	86%	0.862	83%	0.833	S	S	*	*			trans	-135.3	130.4	157.9	-61.6	-178.2	0	0	0	110.1
392	K	24.7	Very low	26.6	Very low	198 Å²	198	155.8 Å²	155.8	86%	0.861	83%	0.832	S	S	*	*			trans	-71.4	145.9	-172	-69.7	167.5	171.9	173.8	0	114.5
393	N	24.5	Very low	26.1	Very low	163 Å²	163	156.5 Å²	156.5	87%	0.872	83%	0.834	S	S	*	*			trans	-71	150.3	163	-78.2	-17.9	0	0	0	112.8
394	P	27.3	Very low	26.2	Very low	127 Å²	127	156.4 Å²	156.4	83%	0.825	84%	0.841	S	S	*	*			trans	-115	150.4	148.2	20.4	-2	0	0	0	113.5
395	K	22.9	Very low	26.1	Very low	206 Å²	206	155.6 Å²	155.6	90%	0.896	84%	0.838	S	S	*	*			trans	-76	154.7	-174.3	-77.2	171.8	170.5	176	0	114.2
396	L	27.7	Very low	26.6	Very low	163 Å²	163	155 Å²	155	85%	0.853	84%	0.837	S	S	*	*			trans	-50.9	132.5	165.4	-171.4	75.9	0	0	0	114.5
397	T	23.3	Very low	27.2	Very low	140 Å²	140	153.7 Å²	153.7	86%	0.859	83%	0.833	S	S	*	*			trans	-147.9	139.2	145.7	24.7	0	0	0	0	109.8
398	K	27.8	Very low	28	Very low	185 Å²	185	155.4 Å²	155.4	80%	0.804	83%	0.834	S	S	*	*			trans	-75	149.2	-179.8	-74.5	170.2	168.8	176.7	0	110.7
399	D	23.3	Very low	29.3	Very low	166 Å²	166	153.9 Å²	153.9	89%	0.888	82%	0.824	S	S	*	*				-164.3	136.8	119.5	-90.5	-27.1	0	0	0	111.8
400	H	27.4	Very low	31	Very low	189 Å²	189	149.7 Å²	149.7	88%	0.875	80%	0.796	S	S	*	*			trans	-75.7	132.6	173.3	-84.9	-3.2	0	0	0	110.4
401	Q	23.7	Very low	33.4	Very low	186 Å²	186	142.2 Å²	142.2	87%	0.869	76%	0.756	S	S	*	*			trans	-142.2	108.1	146.7	-103.2	176.4	3.5	0	0	109.6	T403	Q401-T403 PolarHBondContact O-N 3.22Å
402	T	30.3	Very low	35.9	Very low	136 Å²	136	138 Å²	138	83%	0.834	74%	0.738	S	S	*	*			trans	-73.8	109.6	170.5	-9.2	0	0	0	0	108.4
403	T	24.9	Very low	38.8	Very low	133 Å²	133	129.2 Å²	129.2	82%	0.816	70%	0.701	S	S	*	*			trans	-117.6	99.2	159.6	44.9	0	0	0	0	107.8	Q401 S405	Q401-T403 PolarHBondContact O-N 3.22Å; T403-S405 PolarHBondContact O-N 3.15Å
404	G	29.8	Very low	41.7	Very low	79 Å²	79	124.4 Å²	124.4	81%	0.814	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-66.2	123.3	171.7	0	0	0	0	0	110.4
405	S	27.2	Very low	44.5	Very low	111 Å²	111	119.2 Å²	119.2	78%	0.776	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-89	132.7	161.7	173.1	0	0	0	0	108.3	T403 S407	T403-S405 PolarHBondContact O-N 3.15Å; S405-S407 PolarHBondContact O-N 3.31Å
406	P	35.2	Very low	47.5	Very low	114 Å²	114	115.9 Å²	115.9	74%	0.74	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-75.8	120.6	-179.5	30.4	-29.8	0	0	0	109.4	R408	P406-R408 PolarHBondContact O-N 3.12Å
407	S	39.2	Very low	50	Low	92 Å²	92	110.6 Å²	110.6	64%	0.643	61%	0.605	S	S	*	*			trans	-59	112.2	162.6	48.3	0	0	0	0	108.1	S405 K409	S405-S407 PolarHBondContact O-N 3.31Å; S407-K409 PolarHBondContact O-N 3.4Å
408	R	42.9	Very low	52.6	Low	237 Å²	237	108.2 Å²	108.2	89%	0.894	59%	0.59	S	S	*	*			trans	-64.9	104.4	171.5	-89.1	-178.7	172.9	174.1	-2.1	107.7	P406 T410	P406-R408 PolarHBondContact O-N 3.12Å; R408-T410 PolarHBondContact O-N 3.25Å
409	K	52.5	Low	55.1	Low	157 Å²	157	102 Å²	102	68%	0.683	57%	0.568	S	S	*	*			trans	-60.8	119.8	174	-65.9	-176.3	180	-178	0	109.6	S407 I411	S407-K409 PolarHBondContact O-N 3.4Å; K409-I411 VanDerWaalsContact C-N 3.33Å; K409-I411 PolarHBondContact O-N 3.4Å
410	T	63.6	Low	57.8	Low	30 Å²	30	95.5 Å²	95.5	18%	0.184	54%	0.536	C	S	.	.	S	Bend	trans	-69.3	-28.6	-176.2	-49.4	0	0	0	0	113.3	R408 A430 L431 M433 L489	R408-T410 PolarHBondContact O-N 3.25Å; T410-A430 WeakPolarHBondContact O-CB 3.43Å; T410-A430 PolarHBondContact O-N 3.49Å; T410-L431 HydrophobicContact CG2-CD1 4.33Å; T410-M433 HydrophobicContact CG2-CE 3.39Å; T410-L489 HydrophobicContact CG2-CD2 3.5Å
411	I	74.5	Confident	60.5	Low	6 Å²	6	89.9 Å²	89.9	3%	0.031	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.7	-176.3	-54.4	174.6	0	0	0	108.5	K409 I413 L429 M433 L436 M479 P481 V495	K409-I411 VanDerWaalsContact C-N 3.33Å; K409-I411 PolarHBondContact O-N 3.4Å; I411-I413 HydrophobicContact CG2-CG1 4.03Å; I411-L429 HydrophobicContact CB-CD2 4.45Å; I411-L429 HydrophobicContact CD1-CD2 4.34Å; I411-L429 HydrophobicContact CG1-CD2 3.85Å; I411-L429 HydrophobicContact CG2-CD2 4.11Å; I411-M433 HydrophobicContact CD1-CE 4.46Å; I411-M433 HydrophobicContact CD1-SD 4.29Å; I411-M433 HydrophobicContact CG1-CE 4.41Å; I411-L436 HydrophobicContact CD1-CD2 3.72Å; I411-M479 HydrophobicContact CG2-SD 4.31Å; I411-P481 HydrophobicContact CD1-CB 4.22Å; I411-P481 HydrophobicContact CD1-CG 4.22Å; I411-V495 HydrophobicContact CB-CG2 4.35Å
412	T	80.9	Confident	63.2	Low	79 Å²	79	81.8 Å²	81.8	49%	0.485	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.9	171.3	-55	0	0	0	0	109.2	W427 K428	T412-W427 CarbonylContact O-C 3.59Å; T412-W427 WeakPolarHBondContact O-CA 3.5Å; T412-W427 WeakPolarHBondContact O-CB 3.41Å; T412-K428 PolarHBondContact N-O 2.99Å; T412-K428 PolarHBondContact O-N 3.36Å
413	I	86	Confident	65.9	Low	14 Å²	14	75.4 Å²	75.4	7%	0.072	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.8	179.7	-47.5	169.5	0	0	0	109.2	I411 V415 I425 S426 W427 M479 V495	I411-I413 HydrophobicContact CG2-CG1 4.03Å; I413-V415 HydrophobicContact CG2-CG2 3.95Å; I413-I425 HydrophobicContact CG2-CG2 3.97Å; I413-S426 CarbonylContact C-O 3.59Å; I413-W427 HydrophobicContact CG1-CB 4.49Å; I413-M479 HydrophobicContact CD1-CB 3.32Å; I413-M479 HydrophobicContact CG1-CB 4.13Å; I413-V495 HydrophobicContact CD1-CB 3.82Å; I413-V495 HydrophobicContact CD1-CG1 3.75Å; I413-V495 WeakPolarHBondContact CD1-O 3.4Å; I413-V495 HydrophobicContact CG1-CB 4.35Å; I413-V495 HydrophobicContact CG1-CG1 3.96Å
414	T	85.3	Confident	68.8	Low	62 Å²	62	71.7 Å²	71.7	38%	0.38	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.4	171.9	-56.9	0	0	0	0	109	S426	T414-S426 PolarHBondContact N-O 3.36Å; T414-S426 PolarHBondContact O-N 3.49Å; T414-S426 VanDerWaalsContact O-O 3.13Å; T414-S426 PolarHBondContact O-OG 3.06Å
415	V	86.7	Confident	71.7	Confident	18 Å²	18	68 Å²	68	11%	0.109	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.4	-178.4	-179.2	0	0	0	0	109.1	I413 I423 H424 I425 V477 I497 T499	I413-V415 HydrophobicContact CG2-CG2 3.95Å; V415-I423 HydrophobicContact CG1-CG2 3.19Å; V415-H424 WeakPolarHBondContact CA-O 3.23Å; V415-I425 HydrophobicContact CG1-CG1 4.3Å; V415-I425 HydrophobicContact CG2-CB 4.47Å; V415-I425 HydrophobicContact CG2-CG1 4.12Å; V415-I425 HydrophobicContact CG2-CG2 4.12Å; V415-V477 HydrophobicContact CG1-CG2 4.3Å; V415-V477 HydrophobicContact CG2-CB 4.2Å; V415-V477 HydrophobicContact CG2-CG1 4.18Å; V415-V477 HydrophobicContact CG2-CG2 4.42Å; V415-I497 HydrophobicContact CB-CG2 3.84Å; V415-I497 HydrophobicContact CG2-CG2 3.29Å; V415-T499 HydrophobicContact CG1-CG2 3.61Å
416	K	84.3	Confident	74.5	Confident	136 Å²	136	64.4 Å²	64.4	59%	0.591	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.9	179.1	-65.7	-176	179	-179.6	0	110	H424	K416-H424 PolarHBondContact N-O 3.43Å; K416-H424 PolarHBondContact O-N 3.32Å
417	S	80.8	Confident	77.1	Confident	52 Å²	52	59.4 Å²	59.4	36%	0.364	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.1	166.6	48.6	0	0	0	0	109.8	E500	S417-E500 VanDerWaalsContact CB-O 3.27Å; S417-E500 WeakPolarHBondContact CB-O 3.4Å; S417-E500 PolarHBondContact OG-O 2.91Å; S417-E500 VanDerWaalsContact OG-O 3.11Å
418	V	77.9	Confident	79.1	Confident	90 Å²	90	63.1 Å²	63.1	55%	0.545	32%	0.317	S	S	.	.			trans	-106.8	-43	-177.2	-178.5	0	0	0	0	110.4	T422 H424	V418-T422 PolarHBondContact N-O 3.43Å; V418-H424 HydrophobicContact CG2-CB 3.58Å
419	T	80.4	Confident	80.8	Confident	55 Å²	55	54.2 Å²	54.2	34%	0.337	29%	0.287	S	S	.	.	S	Bend	trans	-134.2	-175.8	175.3	61	0	0	0	0	110.2	D421 T422	T419-D421 WeakPolarHBondContact CB-OD1 3.48Å; T419-D421 PolarHBondContact O-N 3.31Å; T419-D421 PolarHBondContact OG1-N 3.29Å; T419-D421 PolarHBondContact OG1-OD1 2.95Å; T419-T422 PolarHBondContact N-OG1 3.46Å; T419-T422 WeakPolarHBondContact OG1-CB 3.35Å; T419-T422 WeakPolarHBondContact OG1-CG2 3.16Å; T419-T422 PolarHBondContact OG1-N 3.49Å; T419-T422 PolarHBondContact OG1-OG1 2.96Å
420	S	80.5	Confident	81.6	Confident	30 Å²	30	50.3 Å²	50.3	21%	0.21	28%	0.284	C	S	.	.	S	Bend	trans	-68.2	-11.8	176.1	56.4	0	0	0	0	113.9	P471 A502	S420-P471 WeakPolarHBondContact O-CA 3.28Å; S420-P471 WeakPolarHBondContact O-CB 3.48Å; S420-A502 WeakPolarHBondContact CA-O 3.38Å; S420-A502 VanDerWaalsContact CB-O 3.23Å; S420-A502 WeakPolarHBondContact CB-O 3.5Å
421	D	83.3	Confident	81.8	Confident	70 Å²	70	53.2 Å²	53.2	37%	0.374	30%	0.298	S	S	.	.	S	Bend	trans	-132.5	5.3	-175.1	65.3	-31.9	0	0	0	113.5	T419 T467 A468 L469	T419-D421 WeakPolarHBondContact CB-OD1 3.48Å; T419-D421 PolarHBondContact O-N 3.31Å; T419-D421 PolarHBondContact OG1-N 3.29Å; T419-D421 PolarHBondContact OG1-OD1 2.95Å; D421-T467 CarbonylContact O-C 3.46Å; D421-A468 PolarHBondContact O-N 3.2Å; D421-L469 WeakPolarHBondContact CA-O 3.4Å; D421-L469 WeakPolarHBondContact O-CB 3.23Å; D421-L469 PolarHBondContact O-N 2.99Å
422	T	81.1	Confident	81.3	Confident	16 Å²	16	59.2 Å²	59.2	10%	0.098	34%	0.337	C	S	.	.			trans	-133.6	140.7	-178.2	70.1	0	0	0	0	114.1	V418 T419 V466 T467	V418-T422 PolarHBondContact N-O 3.43Å; T419-T422 PolarHBondContact N-OG1 3.46Å; T419-T422 WeakPolarHBondContact OG1-CB 3.35Å; T419-T422 WeakPolarHBondContact OG1-CG2 3.16Å; T419-T422 PolarHBondContact OG1-N 3.49Å; T419-T422 PolarHBondContact OG1-OG1 2.96Å; T422-V466 VanDerWaalsContact CA-O 3.23Å; T422-V466 WeakPolarHBondContact CA-O 3.35Å; T422-T467 HydrophobicContact CG2-CG2 3.97Å
423	I	87.3	Confident	80.7	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.8	174.3	-66.7	173.2	0	0	0	108.7	V415 I425 V466 L469 Y475 T499 T501	V415-I423 HydrophobicContact CG1-CG2 3.19Å; I423-I425 HydrophobicContact CG2-CG1 4.03Å; I423-V466 PolarHBondContact N-O 3.49Å; I423-V466 PolarHBondContact O-N 3.49Å; I423-L469 HydrophobicContact CB-CD1 3.81Å; I423-L469 HydrophobicContact CD1-CD1 3.37Å; I423-L469 HydrophobicContact CG1-CD1 3.42Å; I423-L469 VanDerWaalsContact CG1-CD1 3.42Å; I423-Y475 HydrophobicContact CD1-CD2 4.08Å; I423-Y475 HydrophobicContact CD1-CG 4.22Å; I423-T499 HydrophobicContact CD1-CG2 3.68Å; I423-T499 HydrophobicContact CG2-CG2 4.41Å; I423-T501 HydrophobicContact CD1-CG2 3.91Å; I423-T501 HydrophobicContact CG1-CG2 3.98Å
424	H	86.2	Confident	79.9	Confident	55 Å²	55	59.8 Å²	59.8	26%	0.255	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.8	173.8	-177.8	-91.2	0	0	0	110.5	V415 K416 V418 E463 L465	V415-H424 WeakPolarHBondContact CA-O 3.23Å; K416-H424 PolarHBondContact N-O 3.43Å; K416-H424 PolarHBondContact O-N 3.32Å; V418-H424 HydrophobicContact CG2-CB 3.58Å; H424-E463 IonicContact NE2-OE2 3.87Å; H424-L465 HydrophobicContact CB-CD1 4.17Å
425	I	89.8	Confident	79.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.2	-177.2	-55.1	169.4	0	0	0	107.7	I413 V415 I423 W427 L438 E463 Y464 V466 V477	I413-I425 HydrophobicContact CG2-CG2 3.97Å; V415-I425 HydrophobicContact CG1-CG1 4.3Å; V415-I425 HydrophobicContact CG2-CB 4.47Å; V415-I425 HydrophobicContact CG2-CG1 4.12Å; V415-I425 HydrophobicContact CG2-CG2 4.12Å; I423-I425 HydrophobicContact CG2-CG1 4.03Å; I425-W427 HydrophobicContact CG2-CE3 4.19Å; I425-W427 HydrophobicContact CG2-CZ3 4.37Å; I425-L438 HydrophobicContact CD1-CD1 4.15Å; I425-L438 HydrophobicContact CD1-CD2 3.96Å; I425-L438 HydrophobicContact CG2-CD1 4.29Å; I425-E463 CarbonylContact O-C 3.55Å; I425-E463 VanDerWaalsContact O-CA 3.26Å; I425-E463 WeakPolarHBondContact O-CA 3.45Å; I425-Y464 WeakPolarHBondContact CB-O 3.35Å; I425-Y464 PolarHBondContact N-O 3.2Å; I425-Y464 PolarHBondContact O-N 2.99Å; I425-V466 HydrophobicContact CD1-CG2 3.48Å; I425-V466 VanDerWaalsContact CD1-CG2 3.48Å; I425-V466 HydrophobicContact CG1-CG2 4.42Å; I425-V477 HydrophobicContact CD1-CG1 3.71Å; I425-V477 HydrophobicContact CD1-CG2 4.39Å; I425-V477 HydrophobicContact CG1-CG1 4.35Å; I425-V477 HydrophobicContact CG2-CG1 4.47Å
426	S	86.5	Confident	79.3	Confident	36 Å²	36	56.8 Å²	56.8	25%	0.252	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.3	176.5	55.4	0	0	0	0	110.3	I413 T414 S462	I413-S426 CarbonylContact C-O 3.59Å; T414-S426 PolarHBondContact N-O 3.36Å; T414-S426 PolarHBondContact O-N 3.49Å; T414-S426 VanDerWaalsContact O-O 3.13Å; T414-S426 PolarHBondContact O-OG 3.06Å; S426-S462 CarbonylContact C-O 3.49Å; S426-S462 VanDerWaalsContact CA-O 3.25Å; S426-S462 WeakPolarHBondContact CA-O 3.24Å
427	W	89.5	Confident	79.3	Confident	9 Å²	9	54.9 Å²	54.9	3%	0.034	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157.1	-178.4	60.9	92.3	0	0	0	113.2	T412 I413 I425 L436 V457 R461 S462 E463 M479	T412-W427 CarbonylContact O-C 3.59Å; T412-W427 WeakPolarHBondContact O-CA 3.5Å; T412-W427 WeakPolarHBondContact O-CB 3.41Å; I413-W427 HydrophobicContact CG1-CB 4.49Å; I425-W427 HydrophobicContact CG2-CE3 4.19Å; I425-W427 HydrophobicContact CG2-CZ3 4.37Å; W427-L436 VanDerWaalsContact NE1-CD1 3.34Å; W427-V457 HydrophobicContact CH2-CB 4.4Å; W427-V457 HydrophobicContact CH2-CG1 3.7Å; W427-V457 HydrophobicContact CH2-CG2 4.47Å; W427-V457 HydrophobicContact CZ2-CB 4.31Å; W427-V457 HydrophobicContact CZ2-CG1 3.62Å; W427-R461 VanDerWaalsContact CE2-O 3.25Å; W427-R461 HydrophobicContact CZ2-CB 4.18Å; W427-R461 WeakPolarHBondContact CZ2-O 3.35Å; W427-R461 PolarHBondContact NE1-O 2.96Å; W427-S462 PolarHBondContact N-O 3.43Å; W427-E463 WeakPolarHBondContact CH2-O 3.45Å; W427-E463 VanDerWaalsContact CZ3-C 3.47Å; W427-M479 HydrophobicContact CB-SD 4.21Å; W427-M479 HydrophobicContact CD2-CE 3.53Å; W427-M479 HydrophobicContact CD2-SD 3.94Å; W427-M479 HydrophobicContact CE3-CE 3.48Å; W427-M479 VanDerWaalsContact CE3-CE 3.48Å; W427-M479 HydrophobicContact CE3-SD 4.42Å; W427-M479 HydrophobicContact CG-CE 4.06Å; W427-M479 HydrophobicContact CG-SD 3.82Å; W427-M479 HydrophobicContact CH2-CE 4.28Å; W427-M479 HydrophobicContact CZ2-CE 4.3Å; W427-M479 HydrophobicContact CZ3-CE 3.87Å
428	K	82.3	Confident	79.6	Confident	171 Å²	171	52.4 Å²	52.4	74%	0.743	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.7	172.4	-66.6	-175	177.7	-178	0	109.6	T412	T412-K428 PolarHBondContact N-O 2.99Å; T412-K428 PolarHBondContact O-N 3.36Å
429	L	78.2	Confident	79.9	Confident	49 Å²	49	49 Å²	49	26%	0.257	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.3	177.4	-55.9	173.6	0	0	0	109.8	I411 L431 M433 L436	I411-L429 HydrophobicContact CB-CD2 4.45Å; I411-L429 HydrophobicContact CD1-CD2 4.34Å; I411-L429 HydrophobicContact CG1-CD2 3.85Å; I411-L429 HydrophobicContact CG2-CD2 4.11Å; L429-L431 WeakPolarHBondContact CB-O 3.29Å; L429-M433 HydrophobicContact CD1-CB 4.31Å; L429-M433 HydrophobicContact CD2-SD 4.12Å; L429-L436 HydrophobicContact CD1-CD1 3.97Å; L429-L436 HydrophobicContact CD2-CD1 3.88Å; L429-L436 HydrophobicContact CD2-CD2 3.9Å; L429-L436 HydrophobicContact CD2-CG 4.49Å; L429-L436 HydrophobicContact CG-CD1 4.4Å
430	A	69.3	Low	80.2	Confident	75 Å²	75	48.2 Å²	48.2	62%	0.62	27%	0.266	S	S	*	.	S	Bend	trans	-80.2	-19.5	173.7	0	0	0	0	0	112.8	T410	T410-A430 WeakPolarHBondContact O-CB 3.43Å; T410-A430 PolarHBondContact O-N 3.49Å
431	L	66.5	Low	80.3	Confident	92 Å²	92	49 Å²	49	48%	0.482	27%	0.267	S	S	.	.	S	Bend	trans	-133.8	144.8	179.2	-69.7	166.4	0	0	0	109.4	T410 L429 M433 L489	T410-L431 HydrophobicContact CG2-CD1 4.33Å; L429-L431 WeakPolarHBondContact CB-O 3.29Å; L431-M433 PolarHBondContact O-N 3.34Å; L431-L489 HydrophobicContact CD1-CD2 4.1Å
432	P	64.3	Low	80.3	Confident	131 Å²	131	48.7 Å²	48.7	85%	0.851	26%	0.263	S	S	*	.			trans	-65.8	126.1	176.1	27.3	-32.7	0	0	0	110.2
433	M	69.1	Low	79.9	Confident	26 Å²	26	50.8 Å²	50.8	13%	0.128	27%	0.273	C	S	.	.			trans	-124.3	154.9	178.2	-63.3	175.3	175.9	0	0	108.9	T410 I411 L429 L431 L436 G459 P481 L489	T410-M433 HydrophobicContact CG2-CE 3.39Å; I411-M433 HydrophobicContact CD1-CE 4.46Å; I411-M433 HydrophobicContact CD1-SD 4.29Å; I411-M433 HydrophobicContact CG1-CE 4.41Å; L429-M433 HydrophobicContact CD1-CB 4.31Å; L429-M433 HydrophobicContact CD2-SD 4.12Å; L431-M433 PolarHBondContact O-N 3.34Å; M433-L436 HydrophobicContact SD-CD2 3.92Å; M433-G459 VanDerWaalsContact O-CA 3.3Å; M433-G459 WeakPolarHBondContact O-CA 3.33Å; M433-P481 HydrophobicContact CE-CB 3.93Å; M433-P481 HydrophobicContact SD-CB 3.63Å; M433-L489 HydrophobicContact CE-CD1 4.12Å; M433-L489 HydrophobicContact CE-CD2 4.02Å
434	T	68.8	Low	78.8	Confident	79 Å²	79	53.5 Å²	53.5	49%	0.485	30%	0.301	S	S	.	.	S	Bend	trans	-93.1	-30.9	-178.6	62.6	0	0	0	0	112.4	G459 T484	T434-G459 PolarHBondContact O-N 3.47Å; T434-T484 WeakPolarHBondContact CG2-OG1 3.44Å; T434-T484 WeakPolarHBondContact OG1-CB 3.28Å; T434-T484 VanDerWaalsContact OG1-CG2 3.26Å; T434-T484 WeakPolarHBondContact OG1-CG2 3.48Å; T434-T484 PolarHBondContact OG1-OG1 3.17Å
435	A	76.6	Confident	77.2	Confident	17 Å²	17	60.5 Å²	60.5	14%	0.14	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	146.1	-179.4	0	0	0	0	0	112.1	I456 V457 M482	A435-I456 HydrophobicContact CB-CG2 4.14Å; A435-V457 CarbonylContact C-O 3.58Å; A435-V457 WeakPolarHBondContact CA-O 3.29Å; A435-M482 HydrophobicContact CB-CB 4.07Å; A435-M482 HydrophobicContact CB-SD 4.47Å; A435-M482 PolarHBondContact O-N 3.24Å
436	L	82.1	Confident	75.3	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.6	177.9	-66.7	152.7	0	0	0	108.4	I411 W427 L429 M433 I456 V457 M479 P481	I411-L436 HydrophobicContact CD1-CD2 3.72Å; W427-L436 VanDerWaalsContact NE1-CD1 3.34Å; L429-L436 HydrophobicContact CD1-CD1 3.97Å; L429-L436 HydrophobicContact CD2-CD1 3.88Å; L429-L436 HydrophobicContact CD2-CD2 3.9Å; L429-L436 HydrophobicContact CD2-CG 4.49Å; L429-L436 HydrophobicContact CG-CD1 4.4Å; M433-L436 HydrophobicContact SD-CD2 3.92Å; L436-I456 WeakPolarHBondContact O-CA 3.31Å; L436-V457 PolarHBondContact N-O 2.84Å; L436-V457 PolarHBondContact O-N 3.28Å; L436-M479 HydrophobicContact CB-CG 4.12Å; L436-M479 HydrophobicContact CB-SD 4.13Å; L436-M479 HydrophobicContact CD1-SD 4Å; L436-M479 HydrophobicContact CD2-CG 4.19Å; L436-M479 HydrophobicContact CD2-SD 4.1Å; L436-M479 HydrophobicContact CG-SD 4.32Å; L436-P481 HydrophobicContact CD2-CB 4.46Å
437	R	85	Confident	73.2	Confident	97 Å²	97	69.2 Å²	69.2	37%	0.366	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121	171.1	-174.9	172.7	61.4	160.1	-6.8	109.4	E454 M479 V480 M482	R437-E454 WeakPolarHBondContact CD-OE2 3.49Å; R437-E454 IonicContact CZ-OE2 2.88Å; R437-E454 IonicContact NH1-OE1 2.65Å; R437-E454 IonicContact NH1-OE2 2.68Å; R437-E454 PolarHBondContact NH1-OE2 3.13Å; R437-M479 CarbonylContact O-C 3.59Å; R437-M479 VanDerWaalsContact O-CA 3.3Å; R437-M479 WeakPolarHBondContact O-CA 3.47Å; R437-V480 PolarHBondContact N-O 2.87Å; R437-V480 PolarHBondContact O-N 3.21Å; R437-M482 HydrophobicContact CB-CG 4.04Å; R437-M482 HydrophobicContact CB-SD 3.97Å
438	L	87.1	Confident	71	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.3	175.9	175.7	63.4	0	0	0	109.3	I425 W440 E454 T455 V457 Y464 V477 M479	I425-L438 HydrophobicContact CD1-CD1 4.15Å; I425-L438 HydrophobicContact CD1-CD2 3.96Å; I425-L438 HydrophobicContact CG2-CD1 4.29Å; L438-W440 HydrophobicContact CG-CE3 4.44Å; L438-E454 CarbonylContact O-C 3.54Å; L438-E454 WeakPolarHBondContact O-CA 3.32Å; L438-T455 HydrophobicContact CB-CG2 3.98Å; L438-T455 HydrophobicContact CD2-CG2 4.17Å; L438-T455 HydrophobicContact CG-CG2 4.36Å; L438-T455 PolarHBondContact N-O 2.93Å; L438-T455 PolarHBondContact O-N 2.82Å; L438-V457 HydrophobicContact CB-CG2 4.18Å; L438-V457 HydrophobicContact CD2-CG2 4.41Å; L438-Y464 HydrophobicContact CD2-CD1 3.61Å; L438-Y464 HydrophobicContact CD2-CE1 4.24Å; L438-Y464 HydrophobicContact CD2-CG 3.81Å; L438-V477 HydrophobicContact CD1-CG1 3.7Å; L438-M479 HydrophobicContact CB-CE 4.15Å; L438-M479 HydrophobicContact CD1-CE 3.88Å; L438-M479 HydrophobicContact CG-CE 4.44Å
439	S	83.9	Confident	69.3	Low	18 Å²	18	74.2 Å²	74.2	13%	0.126	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.5	175.1	61.1	0	0	0	0	112	T453 V477 C478	S439-T453 CarbonylContact C-O 3.23Å; S439-T453 VanDerWaalsContact CA-O 3.27Å; S439-T453 WeakPolarHBondContact CA-O 3.41Å; S439-V477 CarbonylContact O-C 3.55Å; S439-V477 WeakPolarHBondContact O-CA 3.42Å; S439-C478 PolarHBondContact N-O 3.18Å; S439-C478 PolarHBondContact O-N 2.8Å
440	W	86.6	Confident	68.2	Low	39 Å²	39	73.6 Å²	73.6	15%	0.148	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.5	172.5	64.1	98.6	0	0	0	111.4	L438 T453 T455 Y464 V466 K476 V477	L438-W440 HydrophobicContact CG-CE3 4.44Å; W440-T453 VanDerWaalsContact CD1-OG1 3.24Å; W440-T453 WeakPolarHBondContact CZ2-OG1 3.4Å; W440-T453 PolarHBondContact N-O 2.92Å; W440-T453 PolarHBondContact NE1-OG1 3.43Å; W440-T453 PolarHBondContact O-N 3.12Å; W440-T453 VanDerWaalsContact O-N 3.14Å; W440-T453 PolarHBondContact O-OG1 2.93Å; W440-T453 VanDerWaalsContact O-OG1 3.05Å; W440-T455 HydrophobicContact CH2-CG2 4.47Å; W440-T455 HydrophobicContact CZ3-CG2 3.92Å; W440-Y464 HydrophobicContact CZ3-CE1 4.45Å; W440-V466 HydrophobicContact CD2-CG1 4.16Å; W440-V466 HydrophobicContact CD2-CG2 4.25Å; W440-V466 HydrophobicContact CE3-CG2 4.31Å; W440-V466 HydrophobicContact CG-CG1 4.49Å; W440-V466 HydrophobicContact CZ2-CG1 3.91Å; W440-K476 CarbonylContact C-O 3.53Å; W440-K476 VanDerWaalsContact CA-O 3.27Å; W440-K476 WeakPolarHBondContact CA-O 3.46Å; W440-V477 HydrophobicContact CB-CG2 4.05Å
441	L	83.9	Confident	67.5	Low	45 Å²	45	74.9 Å²	74.9	24%	0.236	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131	-176.5	172.1	64.7	0	0	0	109.6	G450 I452 Y475 K476	L441-G450 VanDerWaalsContact CD1-C 3.49Å; L441-G450 VanDerWaalsContact CD1-O 3.27Å; L441-G450 WeakPolarHBondContact CD1-O 3.38Å; L441-I452 HydrophobicContact CB-CG1 4.48Å; L441-I452 HydrophobicContact CD1-CG1 4.04Å; L441-I452 HydrophobicContact CD2-CG1 4.43Å; L441-Y475 CarbonylContact O-C 3.26Å; L441-Y475 VanDerWaalsContact O-CA 3.3Å; L441-Y475 WeakPolarHBondContact O-CA 3.27Å; L441-K476 PolarHBondContact N-O 3.12Å; L441-K476 PolarHBondContact O-N 2.85Å
442	K	81.7	Confident	67.6	Low	65 Å²	65	75.2 Å²	75.2	28%	0.283	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128	168.6	-171.2	179.6	170.5	-178.5	0	109.8	E470 S473 Y475	K442-E470 IonicContact NZ-OE1 2.66Å; K442-E470 PolarHBondContact NZ-OE1 3.05Å; K442-E470 VanDerWaalsContact NZ-OE1 3.16Å; K442-E470 IonicContact NZ-OE2 3.18Å; K442-E470 PolarHBondContact NZ-OE2 3.14Å; K442-S473 VanDerWaalsContact CE-OG 3.26Å; K442-S473 WeakPolarHBondContact CE-OG 3.39Å; K442-S473 PolarHBondContact NZ-OG 3.13Å; K442-Y475 HydrophobicContact CB-CD1 3.98Å; K442-Y475 HydrophobicContact CB-CE1 3.52Å; K442-Y475 HydrophobicContact CG-CE1 4.02Å
443	L	73.8	Confident	68.1	Low	59 Å²	59	71.6 Å²	71.6	31%	0.309	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-86.3	116.6	175.5	-62.9	171.6	0	0	0	108.8	P474 K476 E498	L443-P474 HydrophobicContact CB-CB 4.18Å; L443-P474 HydrophobicContact CB-CG 4Å; L443-P474 HydrophobicContact CD1-CB 4.38Å; L443-P474 PolarHBondContact N-O 3.19Å; L443-P474 WeakPolarHBondContact O-CG 3.37Å; L443-K476 HydrophobicContact CD1-CB 4.23Å; L443-K476 HydrophobicContact CD2-CB 4.27Å; L443-K476 HydrophobicContact CG-CB 4.29Å; L443-E498 HydrophobicContact CD1-CG 4.25Å
444	G	64	Low	68.6	Low	60 Å²	60	75.1 Å²	75.1	62%	0.619	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-104	168.2	-179.6	0	0	0	0	0	113.4	S446	G444-S446 VanDerWaalsContact C-N 3.33Å
445	H	53.3	Low	69	Low	203 Å²	203	73.2 Å²	73.2	94%	0.94	42%	0.42	S	S	*	.	S	Bend	trans	-89.1	14.9	176.5	-75.4	47.7	0	0	0	113.9
446	S	48.1	Very low	69.2	Low	83 Å²	83	77.6 Å²	77.6	58%	0.58	44%	0.439	S	S	*	.	S	Bend	trans	-138.5	141	-178.7	-171.1	0	0	0	0	110.6	G444 A448	G444-S446 VanDerWaalsContact C-N 3.33Å; S446-A448 PolarHBondContact O-N 3.22Å
447	P	43.3	Very low	69.2	Low	135 Å²	135	77.8 Å²	77.8	88%	0.877	44%	0.441	S	S	*	.	S	Bend	trans	-73.2	11.7	-174.6	29.6	-35.1	0	0	0	114.8
448	A	43.3	Very low	68.7	Low	79 Å²	79	76.6 Å²	76.6	65%	0.653	44%	0.444	S	S	*	.	S	Bend	trans	-86.9	114.9	171.4	0	0	0	0	0	109.7	S446 G450	S446-A448 PolarHBondContact O-N 3.22Å; A448-G450 PolarHBondContact O-N 3.37Å
449	F	46.2	Very low	67.6	Low	207 Å²	207	77.4 Å²	77.4	91%	0.908	45%	0.452	S	S	*	.			trans	-23.2	115.1	175.2	-75.4	-96.8	0	0	0	115.4
450	G	54.6	Low	66.8	Low	35 Å²	35	85.6 Å²	85.6	36%	0.361	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-69.1	144.4	155.5	0	0	0	0	0	109.8	L441 A448 I452	L441-G450 VanDerWaalsContact CD1-C 3.49Å; L441-G450 VanDerWaalsContact CD1-O 3.27Å; L441-G450 WeakPolarHBondContact CD1-O 3.38Å; A448-G450 PolarHBondContact O-N 3.37Å; G450-I452 PolarHBondContact O-N 3.26Å
451	S	56.3	Low	66.3	Low	102 Å²	102	91.2 Å²	91.2	71%	0.713	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-66.2	123.1	175.1	45.4	0	0	0	0	110
452	I	67.9	Low	66.2	Low	100 Å²	100	92.4 Å²	92.4	51%	0.513	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-79.3	122.1	170.9	-58.2	171.6	0	0	0	107	L441 G450 E454	L441-I452 HydrophobicContact CB-CG1 4.48Å; L441-I452 HydrophobicContact CD1-CG1 4.04Å; L441-I452 HydrophobicContact CD2-CG1 4.43Å; G450-I452 PolarHBondContact O-N 3.26Å; I452-E454 HydrophobicContact CG2-CG 3.76Å
453	T	75.4	Confident	66.5	Low	55 Å²	55	95.3 Å²	95.3	34%	0.337	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.2	171.3	39.2	0	0	0	0	108.9	S439 W440	S439-T453 CarbonylContact C-O 3.23Å; S439-T453 VanDerWaalsContact CA-O 3.27Å; S439-T453 WeakPolarHBondContact CA-O 3.41Å; W440-T453 VanDerWaalsContact CD1-OG1 3.24Å; W440-T453 WeakPolarHBondContact CZ2-OG1 3.4Å; W440-T453 PolarHBondContact N-O 2.92Å; W440-T453 PolarHBondContact NE1-OG1 3.43Å; W440-T453 PolarHBondContact O-N 3.12Å; W440-T453 VanDerWaalsContact O-N 3.14Å; W440-T453 PolarHBondContact O-OG1 2.93Å; W440-T453 VanDerWaalsContact O-OG1 3.05Å
454	E	79.7	Confident	67	Low	100 Å²	100	95.6 Å²	95.6	47%	0.467	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.6	-177.3	-50.3	-162.4	155.8	0	0	110.9	R437 L438 I452	R437-E454 WeakPolarHBondContact CD-OE2 3.49Å; R437-E454 IonicContact CZ-OE2 2.88Å; R437-E454 IonicContact NH1-OE1 2.65Å; R437-E454 IonicContact NH1-OE2 2.68Å; R437-E454 PolarHBondContact NH1-OE2 3.13Å; L438-E454 CarbonylContact O-C 3.54Å; L438-E454 WeakPolarHBondContact O-CA 3.32Å; I452-E454 HydrophobicContact CG2-CG 3.76Å
455	T	77.2	Confident	68.1	Low	39 Å²	39	97 Å²	97	24%	0.239	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	153.9	172.3	-169.5	0	0	0	0	110.5	L438 W440 V457 Y464	L438-T455 HydrophobicContact CB-CG2 3.98Å; L438-T455 HydrophobicContact CD2-CG2 4.17Å; L438-T455 HydrophobicContact CG-CG2 4.36Å; L438-T455 PolarHBondContact N-O 2.93Å; L438-T455 PolarHBondContact O-N 2.82Å; W440-T455 HydrophobicContact CH2-CG2 4.47Å; W440-T455 HydrophobicContact CZ3-CG2 3.92Å; T455-V457 HydrophobicContact CG2-CG2 4.19Å; T455-Y464 HydrophobicContact CG2-CE1 4.25Å; T455-Y464 HydrophobicContact CG2-CE2 4.16Å
456	I	80.3	Confident	69.5	Low	108 Å²	108	87.7 Å²	87.7	55%	0.554	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	128	176.6	-59.3	171.7	0	0	0	108.1	A435 L436 M482	A435-I456 HydrophobicContact CB-CG2 4.14Å; L436-I456 WeakPolarHBondContact O-CA 3.31Å; I456-M482 HydrophobicContact CB-SD 4.4Å; I456-M482 HydrophobicContact CD1-CE 4.02Å; I456-M482 HydrophobicContact CD1-SD 3.93Å; I456-M482 HydrophobicContact CG1-SD 3.82Å; I456-M482 HydrophobicContact CG2-SD 3.76Å
457	V	82.1	Confident	71.2	Confident	5 Å²	5	87.9 Å²	87.9	3%	0.03	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.8	179.5	-168.1	0	0	0	0	109.2	W427 A435 L436 L438 T455 R461 Y464	W427-V457 HydrophobicContact CH2-CB 4.4Å; W427-V457 HydrophobicContact CH2-CG1 3.7Å; W427-V457 HydrophobicContact CH2-CG2 4.47Å; W427-V457 HydrophobicContact CZ2-CB 4.31Å; W427-V457 HydrophobicContact CZ2-CG1 3.62Å; A435-V457 CarbonylContact C-O 3.58Å; A435-V457 WeakPolarHBondContact CA-O 3.29Å; L436-V457 PolarHBondContact N-O 2.84Å; L436-V457 PolarHBondContact O-N 3.28Å; L438-V457 HydrophobicContact CB-CG2 4.18Å; L438-V457 HydrophobicContact CD2-CG2 4.41Å; T455-V457 HydrophobicContact CG2-CG2 4.19Å; V457-R461 HydrophobicContact CG1-CB 3.78Å; V457-R461 HydrophobicContact CG1-CG 4.45Å; V457-Y464 HydrophobicContact CG2-CD2 4.15Å
458	T	73.8	Confident	72.7	Confident	72 Å²	72	85.8 Å²	85.8	44%	0.442	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	142.6	174.9	57.8	0	0	0	0	110.2	E460 R461	T458-E460 PolarHBondContact O-N 3.28Å; T458-E460 VanDerWaalsContact O-N 3.14Å; T458-R461 PolarHBondContact O-N 3.2Å
459	G	64.8	Low	74.6	Confident	16 Å²	16	82.7 Å²	82.7	17%	0.165	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-7.9	-177	0	0	0	0	0	115.1	M433 T434 R461	M433-G459 VanDerWaalsContact O-CA 3.3Å; M433-G459 WeakPolarHBondContact O-CA 3.33Å; T434-G459 PolarHBondContact O-N 3.47Å; G459-R461 VanDerWaalsContact C-N 3.34Å
460	E	67.8	Low	76.1	Confident	190 Å²	190	77.9 Å²	77.9	89%	0.888	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-22	169	-64.8	-176.2	169.4	0	0	113	T458	T458-E460 PolarHBondContact O-N 3.28Å; T458-E460 VanDerWaalsContact O-N 3.14Å
461	R	75.4	Confident	77.4	Confident	157 Å²	157	78.4 Å²	78.4	59%	0.592	43%	0.426	S	S	*	.			trans	-85.2	148.9	176.5	-66.4	-179.5	178.3	-160.5	1.5	110.2	W427 V457 T458 G459	W427-R461 VanDerWaalsContact CE2-O 3.25Å; W427-R461 HydrophobicContact CZ2-CB 4.18Å; W427-R461 WeakPolarHBondContact CZ2-O 3.35Å; W427-R461 PolarHBondContact NE1-O 2.96Å; V457-R461 HydrophobicContact CG1-CB 3.78Å; V457-R461 HydrophobicContact CG1-CG 4.45Å; T458-R461 PolarHBondContact O-N 3.2Å; G459-R461 VanDerWaalsContact C-N 3.34Å
462	S	81.9	Confident	78.6	Confident	71 Å²	71	79 Å²	79	50%	0.497	42%	0.421	S	S	.	.			trans	-127.4	0.6	178.9	57.6	0	0	0	0	114.1	S426 W427	S426-S462 CarbonylContact C-O 3.49Å; S426-S462 VanDerWaalsContact CA-O 3.25Å; S426-S462 WeakPolarHBondContact CA-O 3.24Å; W427-S462 PolarHBondContact N-O 3.43Å
463	E	86.8	Confident	79.2	Confident	125 Å²	125	74.7 Å²	74.7	58%	0.584	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	151.3	-179.8	63.3	-175.1	-168.8	0	0	112.1	H424 I425 W427	H424-E463 IonicContact NE2-OE2 3.87Å; I425-E463 CarbonylContact O-C 3.55Å; I425-E463 VanDerWaalsContact O-CA 3.26Å; I425-E463 WeakPolarHBondContact O-CA 3.45Å; W427-E463 WeakPolarHBondContact CH2-O 3.45Å; W427-E463 VanDerWaalsContact CZ3-C 3.47Å
464	Y	84.8	Confident	79.6	Confident	65 Å²	65	73.9 Å²	73.9	26%	0.255	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	134.1	178	-166.5	-92.1	0	0	0	110.1	I425 L438 W440 T455 V457 V466	I425-Y464 WeakPolarHBondContact CB-O 3.35Å; I425-Y464 PolarHBondContact N-O 3.2Å; I425-Y464 PolarHBondContact O-N 2.99Å; L438-Y464 HydrophobicContact CD2-CD1 3.61Å; L438-Y464 HydrophobicContact CD2-CE1 4.24Å; L438-Y464 HydrophobicContact CD2-CG 3.81Å; W440-Y464 HydrophobicContact CZ3-CE1 4.45Å; T455-Y464 HydrophobicContact CG2-CE1 4.25Å; T455-Y464 HydrophobicContact CG2-CE2 4.16Å; V457-Y464 HydrophobicContact CG2-CD2 4.15Å; Y464-V466 HydrophobicContact CD1-CG2 3.92Å; Y464-V466 HydrophobicContact CE1-CG2 4.02Å
465	L	86.4	Confident	79.8	Confident	91 Å²	91	69.8 Å²	69.8	48%	0.476	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.2	178.5	-173.6	71.3	0	0	0	109.8	H424 T467	H424-L465 HydrophobicContact CB-CD1 4.17Å; L465-T467 HydrophobicContact CD2-CG2 4.03Å; L465-T467 HydrophobicContact CG-CG2 4.09Å
466	V	84.2	Confident	80.3	Confident	6 Å²	6	71.4 Å²	71.4	4%	0.036	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.7	172.7	-172.7	0	0	0	0	108.5	T422 I423 I425 W440 Y464 L469	T422-V466 VanDerWaalsContact CA-O 3.23Å; T422-V466 WeakPolarHBondContact CA-O 3.35Å; I423-V466 PolarHBondContact N-O 3.49Å; I423-V466 PolarHBondContact O-N 3.49Å; I425-V466 HydrophobicContact CD1-CG2 3.48Å; I425-V466 VanDerWaalsContact CD1-CG2 3.48Å; I425-V466 HydrophobicContact CG1-CG2 4.42Å; W440-V466 HydrophobicContact CD2-CG1 4.16Å; W440-V466 HydrophobicContact CD2-CG2 4.25Å; W440-V466 HydrophobicContact CE3-CG2 4.31Å; W440-V466 HydrophobicContact CG-CG1 4.49Å; W440-V466 HydrophobicContact CZ2-CG1 3.91Å; Y464-V466 HydrophobicContact CD1-CG2 3.92Å; Y464-V466 HydrophobicContact CE1-CG2 4.02Å; V466-L469 HydrophobicContact CB-CD1 4.18Å; V466-L469 HydrophobicContact CG1-CD1 3.82Å; V466-L469 HydrophobicContact CG1-CD2 3.73Å; V466-L469 HydrophobicContact CG1-CG 3.88Å
467	T	82.7	Confident	80.5	Confident	87 Å²	87	66.3 Å²	66.3	53%	0.534	35%	0.354	S	S	.	.			trans	-121.7	168.7	-178.2	59.5	0	0	0	0	111	D421 T422 L465 L469	D421-T467 CarbonylContact O-C 3.46Å; T422-T467 HydrophobicContact CG2-CG2 3.97Å; L465-T467 HydrophobicContact CD2-CG2 4.03Å; L465-T467 HydrophobicContact CG-CG2 4.09Å; T467-L469 VanDerWaalsContact C-N 3.34Å
468	A	76.1	Confident	80.7	Confident	92 Å²	92	67 Å²	67	76%	0.76	36%	0.359	S	S	*	.	S	Bend	trans	62.1	37.1	-179.9	0	0	0	0	0	113.9	D421	D421-A468 PolarHBondContact O-N 3.2Å
469	L	81.6	Confident	81.1	Confident	14 Å²	14	63.6 Å²	63.6	7%	0.073	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-87.3	158.4	174.6	-61.9	171.9	0	0	0	111.6	D421 I423 V466 T467 Y475 T501	D421-L469 WeakPolarHBondContact CA-O 3.4Å; D421-L469 WeakPolarHBondContact O-CB 3.23Å; D421-L469 PolarHBondContact O-N 2.99Å; I423-L469 HydrophobicContact CB-CD1 3.81Å; I423-L469 HydrophobicContact CD1-CD1 3.37Å; I423-L469 HydrophobicContact CG1-CD1 3.42Å; I423-L469 VanDerWaalsContact CG1-CD1 3.42Å; V466-L469 HydrophobicContact CB-CD1 4.18Å; V466-L469 HydrophobicContact CG1-CD1 3.82Å; V466-L469 HydrophobicContact CG1-CD2 3.73Å; V466-L469 HydrophobicContact CG1-CG 3.88Å; T467-L469 VanDerWaalsContact C-N 3.34Å; L469-Y475 HydrophobicContact CB-CE2 4.14Å; L469-Y475 HydrophobicContact CD2-CD1 4.33Å; L469-Y475 HydrophobicContact CD2-CE1 3.71Å; L469-Y475 HydrophobicContact CD2-CE2 4.32Å; L469-T501 HydrophobicContact CB-CG2 4.06Å; L469-T501 HydrophobicContact CD1-CG2 4.17Å
470	E	79	Confident	82	Confident	105 Å²	105	64.2 Å²	64.2	49%	0.491	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-76.4	139.9	175	-72.1	-173.5	-126	0	0	110.9	K442 Y475 T501	K442-E470 IonicContact NZ-OE1 2.66Å; K442-E470 PolarHBondContact NZ-OE1 3.05Å; K442-E470 VanDerWaalsContact NZ-OE1 3.16Å; K442-E470 IonicContact NZ-OE2 3.18Å; K442-E470 PolarHBondContact NZ-OE2 3.14Å; E470-Y475 PolarHBondContact N-OH 3.1Å; E470-T501 WeakPolarHBondContact O-CB 3.37Å; E470-T501 PolarHBondContact O-OG1 2.86Å
471	P	81.4	Confident	82.3	Confident	46 Å²	46	56.7 Å²	56.7	30%	0.299	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	152.8	176.6	30.8	-35.6	0	0	0	111.8	S420 S473 L504	S420-P471 WeakPolarHBondContact O-CA 3.28Å; S420-P471 WeakPolarHBondContact O-CB 3.48Å; P471-S473 PolarHBondContact O-N 3.2Å; P471-S473 PolarHBondContact O-OG 3.13Å; P471-S473 VanDerWaalsContact O-OG 3.09Å; P471-L504 HydrophobicContact CB-CB 4.4Å; P471-L504 HydrophobicContact CB-CD1 3.9Å; P471-L504 HydrophobicContact CB-CG 3.67Å; P471-L504 HydrophobicContact CG-CD1 3.46Å; P471-L504 VanDerWaalsContact CG-CD1 3.46Å; P471-L504 HydrophobicContact CG-CG 3.83Å
472	D	81.8	Confident	81.7	Confident	115 Å²	115	52.7 Å²	52.7	62%	0.615	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	41.1	177.3	-158.6	37	0	0	0	113.5	T501 A502 P503	D472-T501 PolarHBondContact N-OG1 3.07Å; D472-T501 VanDerWaalsContact N-OG1 3.16Å; D472-A502 PolarHBondContact N-O 3.3Å; D472-P503 HydrophobicContact CB-CB 4.47Å
473	S	80.2	Confident	80.5	Confident	9 Å²	9	56.4 Å²	56.4	6%	0.063	30%	0.304	C	S	.	.			trans	-125.5	133.2	-172.2	-72.8	0	0	0	0	111.5	K442 P471 Y475 T501	K442-S473 VanDerWaalsContact CE-OG 3.26Å; K442-S473 WeakPolarHBondContact CE-OG 3.39Å; K442-S473 PolarHBondContact NZ-OG 3.13Å; P471-S473 PolarHBondContact O-N 3.2Å; P471-S473 PolarHBondContact O-OG 3.13Å; P471-S473 VanDerWaalsContact O-OG 3.09Å; S473-Y475 VanDerWaalsContact O-CD2 3.24Å; S473-Y475 WeakPolarHBondContact O-CD2 3.38Å; S473-T501 PolarHBondContact N-OG1 2.91Å; S473-T501 PolarHBondContact O-N 3.23Å; S473-T501 VanDerWaalsContact O-N 3.15Å; S473-T501 PolarHBondContact O-OG1 3.19Å
474	P	84	Confident	78.6	Confident	39 Å²	39	54.4 Å²	54.4	25%	0.253	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	133.9	174.9	28	-30.6	0	0	0	111	L443 T499 E500	L443-P474 HydrophobicContact CB-CB 4.18Å; L443-P474 HydrophobicContact CB-CG 4Å; L443-P474 HydrophobicContact CD1-CB 4.38Å; L443-P474 PolarHBondContact N-O 3.19Å; L443-P474 WeakPolarHBondContact O-CG 3.37Å; P474-T499 CarbonylContact C-O 3.51Å; P474-T499 WeakPolarHBondContact CA-O 3.39Å; P474-E500 HydrophobicContact CB-CG 3.93Å
475	Y	84.4	Confident	76.6	Confident	14 Å²	14	55.5 Å²	55.5	6%	0.055	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.8	178	-75.2	-87.8	0	0	0	110.8	I423 L441 K442 L469 E470 S473 E498 T499 T501	I423-Y475 HydrophobicContact CD1-CD2 4.08Å; I423-Y475 HydrophobicContact CD1-CG 4.22Å; L441-Y475 CarbonylContact O-C 3.26Å; L441-Y475 VanDerWaalsContact O-CA 3.3Å; L441-Y475 WeakPolarHBondContact O-CA 3.27Å; K442-Y475 HydrophobicContact CB-CD1 3.98Å; K442-Y475 HydrophobicContact CB-CE1 3.52Å; K442-Y475 HydrophobicContact CG-CE1 4.02Å; L469-Y475 HydrophobicContact CB-CE2 4.14Å; L469-Y475 HydrophobicContact CD2-CD1 4.33Å; L469-Y475 HydrophobicContact CD2-CE1 3.71Å; L469-Y475 HydrophobicContact CD2-CE2 4.32Å; E470-Y475 PolarHBondContact N-OH 3.1Å; S473-Y475 VanDerWaalsContact O-CD2 3.24Å; S473-Y475 WeakPolarHBondContact O-CD2 3.38Å; Y475-E498 CarbonylContact O-C 3.18Å; Y475-E498 WeakPolarHBondContact O-CA 3.32Å; Y475-T499 PolarHBondContact N-O 2.93Å; Y475-T499 PolarHBondContact O-N 3.44Å; Y475-T501 HydrophobicContact CD2-CG2 3.97Å; Y475-T501 HydrophobicContact CE2-CG2 3.86Å
476	K	86.1	Confident	74.3	Confident	72 Å²	72	59.1 Å²	59.1	31%	0.313	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.9	170	-170.7	166.6	-165.3	137.1	0	109.5	W440 L441 L443 C496 E498	W440-K476 CarbonylContact C-O 3.53Å; W440-K476 VanDerWaalsContact CA-O 3.27Å; W440-K476 WeakPolarHBondContact CA-O 3.46Å; L441-K476 PolarHBondContact N-O 3.12Å; L441-K476 PolarHBondContact O-N 2.85Å; L443-K476 HydrophobicContact CD1-CB 4.23Å; L443-K476 HydrophobicContact CD2-CB 4.27Å; L443-K476 HydrophobicContact CG-CB 4.29Å; K476-C496 HydrophobicContact CG-CB 4.49Å; K476-E498 HydrophobicContact CB-CG 4.15Å; K476-E498 HydrophobicContact CD-CG 4.27Å; K476-E498 HydrophobicContact CG-CG 3.97Å; K476-E498 IonicContact NZ-OE1 3.1Å; K476-E498 PolarHBondContact NZ-OE1 2.9Å
477	V	86	Confident	72.3	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.012	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.1	179.8	-178.5	0	0	0	0	108.8	V415 I425 L438 S439 W440 C496 I497	V415-V477 HydrophobicContact CG1-CG2 4.3Å; V415-V477 HydrophobicContact CG2-CB 4.2Å; V415-V477 HydrophobicContact CG2-CG1 4.18Å; V415-V477 HydrophobicContact CG2-CG2 4.42Å; I425-V477 HydrophobicContact CD1-CG1 3.71Å; I425-V477 HydrophobicContact CD1-CG2 4.39Å; I425-V477 HydrophobicContact CG1-CG1 4.35Å; I425-V477 HydrophobicContact CG2-CG1 4.47Å; L438-V477 HydrophobicContact CD1-CG1 3.7Å; S439-V477 CarbonylContact O-C 3.55Å; S439-V477 WeakPolarHBondContact O-CA 3.42Å; W440-V477 HydrophobicContact CB-CG2 4.05Å; V477-C496 CarbonylContact O-C 3.59Å; V477-C496 WeakPolarHBondContact O-CA 3.19Å; V477-I497 HydrophobicContact CB-CG2 4.31Å; V477-I497 PolarHBondContact N-O 3.31Å; V477-I497 PolarHBondContact O-N 2.9Å
478	C	84.8	Confident	70.3	Confident	20 Å²	20	71.4 Å²	71.4	14%	0.135	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.5	-179.4	-63.7	0	0	0	0	111.3	S439 V495 C496	S439-C478 PolarHBondContact N-O 3.18Å; S439-C478 PolarHBondContact O-N 2.8Å; C478-V495 CarbonylContact C-O 3.49Å; C478-V495 WeakPolarHBondContact CA-O 3.05Å; C478-C496 HydrophobicContact CB-CB 4.13Å; C478-C496 WeakPolarHBondContact CB-SG 3.38Å; C478-C496 WeakPolarHBondContact SG-CB 3.33Å; C478-C496 CovalentContact SG-SG 2.04Å; C478-C496 PolarHBondContact SG-SG 3.37Å
479	M	83.9	Confident	68.8	Low	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.8	172.5	-167.5	174.4	-86.2	0	0	111.6	I411 I413 W427 L436 R437 L438 V495	I411-M479 HydrophobicContact CG2-SD 4.31Å; I413-M479 HydrophobicContact CD1-CB 3.32Å; I413-M479 HydrophobicContact CG1-CB 4.13Å; W427-M479 HydrophobicContact CB-SD 4.21Å; W427-M479 HydrophobicContact CD2-CE 3.53Å; W427-M479 HydrophobicContact CD2-SD 3.94Å; W427-M479 HydrophobicContact CE3-CE 3.48Å; W427-M479 VanDerWaalsContact CE3-CE 3.48Å; W427-M479 HydrophobicContact CE3-SD 4.42Å; W427-M479 HydrophobicContact CG-CE 4.06Å; W427-M479 HydrophobicContact CG-SD 3.82Å; W427-M479 HydrophobicContact CH2-CE 4.28Å; W427-M479 HydrophobicContact CZ2-CE 4.3Å; W427-M479 HydrophobicContact CZ3-CE 3.87Å; L436-M479 HydrophobicContact CB-CG 4.12Å; L436-M479 HydrophobicContact CB-SD 4.13Å; L436-M479 HydrophobicContact CD1-SD 4Å; L436-M479 HydrophobicContact CD2-CG 4.19Å; L436-M479 HydrophobicContact CD2-SD 4.1Å; L436-M479 HydrophobicContact CG-SD 4.32Å; R437-M479 CarbonylContact O-C 3.59Å; R437-M479 VanDerWaalsContact O-CA 3.3Å; R437-M479 WeakPolarHBondContact O-CA 3.47Å; L438-M479 HydrophobicContact CB-CE 4.15Å; L438-M479 HydrophobicContact CD1-CE 3.88Å; L438-M479 HydrophobicContact CG-CE 4.44Å; M479-V495 PolarHBondContact N-O 2.8Å; M479-V495 PolarHBondContact O-N 3.38Å; M479-V495 VanDerWaalsContact O-N 3.15Å
480	V	82.4	Confident	66.8	Low	29 Å²	29	79.7 Å²	79.7	18%	0.176	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.8	-177.5	-173.1	0	0	0	0	109.9	R437 P494	R437-V480 PolarHBondContact N-O 2.87Å; R437-V480 PolarHBondContact O-N 3.21Å; V480-P494 HydrophobicContact CG2-CB 3.68Å
481	P	74.6	Confident	65.3	Low	31 Å²	31	77.8 Å²	77.8	20%	0.201	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	141.1	173.1	29	-33.4	0	0	0	111.8	I411 M433 L436	I411-P481 HydrophobicContact CD1-CB 4.22Å; I411-P481 HydrophobicContact CD1-CG 4.22Å; M433-P481 HydrophobicContact CE-CB 3.93Å; M433-P481 HydrophobicContact SD-CB 3.63Å; L436-P481 HydrophobicContact CD2-CB 4.46Å
482	M	62	Low	63.9	Low	73 Å²	73	82.6 Å²	82.6	36%	0.36	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-102.3	130.2	174.1	-61.9	-169.6	71.6	0	0	110.5	A435 R437 I456 T484	A435-M482 HydrophobicContact CB-CB 4.07Å; A435-M482 HydrophobicContact CB-SD 4.47Å; A435-M482 PolarHBondContact O-N 3.24Å; R437-M482 HydrophobicContact CB-CG 4.04Å; R437-M482 HydrophobicContact CB-SD 3.97Å; I456-M482 HydrophobicContact CB-SD 4.4Å; I456-M482 HydrophobicContact CD1-CE 4.02Å; I456-M482 HydrophobicContact CD1-SD 3.93Å; I456-M482 HydrophobicContact CG1-SD 3.82Å; I456-M482 HydrophobicContact CG2-SD 3.76Å; M482-T484 PolarHBondContact O-N 3.44Å
483	E	58	Low	62.9	Low	150 Å²	150	81.2 Å²	81.2	70%	0.701	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-73.3	122.7	-174.6	-162.3	175.5	-154.4	0	0	110.9
484	T	46.4	Very low	62.4	Low	83 Å²	83	84.2 Å²	84.2	51%	0.509	43%	0.434	S	S	.	.			trans	-139.5	4.7	176.4	53	0	0	0	0	114.9	T434 M482	T434-T484 WeakPolarHBondContact CG2-OG1 3.44Å; T434-T484 WeakPolarHBondContact OG1-CB 3.28Å; T434-T484 VanDerWaalsContact OG1-CG2 3.26Å; T434-T484 WeakPolarHBondContact OG1-CG2 3.48Å; T434-T484 PolarHBondContact OG1-OG1 3.17Å; M482-T484 PolarHBondContact O-N 3.44Å
485	S	42	Very low	62.2	Low	87 Å²	87	84.5 Å²	84.5	61%	0.608	44%	0.435	S	S	*	.	S	Bend	trans	-161.5	151.5	175.1	-74	0	0	0	0	110.9	L487	S485-L487 PolarHBondContact O-N 2.95Å
486	N	38.7	Very low	62.2	Low	167 Å²	167	86.4 Å²	86.4	89%	0.893	45%	0.449	S	S	*	.	S	Bend	trans	-57.1	34.4	-171	-67.6	-37.2	0	0	0	118.1
487	L	41.6	Very low	62.2	Low	146 Å²	146	85.9 Å²	85.9	76%	0.764	45%	0.449	S	S	*	.			trans	-115.2	109.1	177.9	-87.6	140.2	0	0	0	110	S485 L489	S485-L487 PolarHBondContact O-N 2.95Å; L487-L489 PolarHBondContact O-N 3.47Å
488	Y	40.8	Very low	62.2	Low	205 Å²	205	91.4 Å²	91.4	80%	0.804	48%	0.475	S	S	*	.			trans	-57.5	113.4	176.5	-70.7	-89.5	0	0	0	111.3
489	L	44.3	Very low	62.2	Low	71 Å²	71	91.6 Å²	91.6	37%	0.372	48%	0.475	S	S	.	.			trans	-92.9	122.9	164.7	-92.1	131.2	0	0	0	109.1	T410 L431 M433 L487 D491	T410-L489 HydrophobicContact CG2-CD2 3.5Å; L431-L489 HydrophobicContact CD1-CD2 4.1Å; M433-L489 HydrophobicContact CE-CD1 4.12Å; M433-L489 HydrophobicContact CE-CD2 4.02Å; L487-L489 PolarHBondContact O-N 3.47Å; L489-D491 PolarHBondContact O-N 2.91Å
490	F	39.8	Very low	62.2	Low	210 Å²	210	97.8 Å²	97.8	92%	0.921	50%	0.504	S	S	*	.	S	Bend	trans	-74.6	-0.8	-173.1	-96.1	-92.9	0	0	0	115.1
491	D	47.8	Very low	62.2	Low	65 Å²	65	96.5 Å²	96.5	35%	0.348	50%	0.496	S	S	.	.			trans	-146.9	92.5	-171.1	-146.9	-14	0	0	0	111.1	L489 T493	L489-D491 PolarHBondContact O-N 2.91Å; D491-T493 PolarHBondContact O-N 3.41Å; D491-T493 WeakPolarHBondContact OD1-CB 3.29Å; D491-T493 VanDerWaalsContact OD1-CG2 3.26Å; D491-T493 WeakPolarHBondContact OD1-CG2 3.09Å; D491-T493 PolarHBondContact OD1-OG1 3.04Å
492	E	53.4	Low	62.4	Low	146 Å²	146	96.7 Å²	96.7	68%	0.682	50%	0.501	S	S	*	.			trans	-83.9	12.9	173.2	-68.2	-173.7	163.1	0	0	112.5	P494	E492-P494 WeakPolarHBondContact O-CD 3.36Å
493	T	58.9	Low	63	Low	86 Å²	86	97.3 Å²	97.3	53%	0.528	51%	0.51	S	S	.	.			trans	-65.5	123	-179	50.8	0	0	0	0	110.1	D491 V495	D491-T493 PolarHBondContact O-N 3.41Å; D491-T493 WeakPolarHBondContact OD1-CB 3.29Å; D491-T493 VanDerWaalsContact OD1-CG2 3.26Å; D491-T493 WeakPolarHBondContact OD1-CG2 3.09Å; D491-T493 PolarHBondContact OD1-OG1 3.04Å; T493-V495 PolarHBondContact O-N 3.4Å
494	P	69.8	Low	63.3	Low	73 Å²	73	95.6 Å²	95.6	47%	0.474	51%	0.505	S	S	.	.			trans	-62.8	125	177.9	25.2	-33.2	0	0	0	108.9	V480 E492 C496	V480-P494 HydrophobicContact CG2-CB 3.68Å; E492-P494 WeakPolarHBondContact O-CD 3.36Å; P494-C496 PolarHBondContact O-N 3.39Å
495	V	81.6	Confident	63.9	Low	45 Å²	45	103.7 Å²	103.7	27%	0.273	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	113.1	172.9	-179.8	0	0	0	0	106.6	I411 I413 C478 M479 T493	I411-V495 HydrophobicContact CB-CG2 4.35Å; I413-V495 HydrophobicContact CD1-CB 3.82Å; I413-V495 HydrophobicContact CD1-CG1 3.75Å; I413-V495 WeakPolarHBondContact CD1-O 3.4Å; I413-V495 HydrophobicContact CG1-CB 4.35Å; I413-V495 HydrophobicContact CG1-CG1 3.96Å; C478-V495 CarbonylContact C-O 3.49Å; C478-V495 WeakPolarHBondContact CA-O 3.05Å; M479-V495 PolarHBondContact N-O 2.8Å; M479-V495 PolarHBondContact O-N 3.38Å; M479-V495 VanDerWaalsContact O-N 3.15Å; T493-V495 PolarHBondContact O-N 3.4Å
496	C	83.8	Confident	63.6	Low	53 Å²	53	107.1 Å²	107.1	36%	0.358	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146	-178.2	-60.2	0	0	0	0	111.6	K476 V477 C478 P494	K476-C496 HydrophobicContact CG-CB 4.49Å; V477-C496 CarbonylContact O-C 3.59Å; V477-C496 WeakPolarHBondContact O-CA 3.19Å; C478-C496 HydrophobicContact CB-CB 4.13Å; C478-C496 WeakPolarHBondContact CB-SG 3.38Å; C478-C496 WeakPolarHBondContact SG-CB 3.33Å; C478-C496 CovalentContact SG-SG 2.04Å; C478-C496 PolarHBondContact SG-SG 3.37Å; P494-C496 PolarHBondContact O-N 3.39Å
497	I	85.1	Confident	63.6	Low	62 Å²	62	109.8 Å²	109.8	32%	0.318	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.4	174.1	-166.2	166.7	0	0	0	110	V415 V477	V415-I497 HydrophobicContact CB-CG2 3.84Å; V415-I497 HydrophobicContact CG2-CG2 3.29Å; V477-I497 HydrophobicContact CB-CG2 4.31Å; V477-I497 PolarHBondContact N-O 3.31Å; V477-I497 PolarHBondContact O-N 2.9Å
498	E	86.6	Confident	63.1	Low	118 Å²	118	108.3 Å²	108.3	55%	0.551	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	141.6	178.4	-68.5	172	-169.9	0	0	109.3	L443 Y475 K476	L443-E498 HydrophobicContact CD1-CG 4.25Å; Y475-E498 CarbonylContact O-C 3.18Å; Y475-E498 WeakPolarHBondContact O-CA 3.32Å; K476-E498 HydrophobicContact CB-CG 4.15Å; K476-E498 HydrophobicContact CD-CG 4.27Å; K476-E498 HydrophobicContact CG-CG 3.97Å; K476-E498 IonicContact NZ-OE1 3.1Å; K476-E498 PolarHBondContact NZ-OE1 2.9Å
499	T	83.8	Confident	62.8	Low	23 Å²	23	103.9 Å²	103.9	14%	0.141	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158	-178.6	-173.9	0	0	0	0	110	V415 I423 P474 Y475	V415-T499 HydrophobicContact CG1-CG2 3.61Å; I423-T499 HydrophobicContact CD1-CG2 3.68Å; I423-T499 HydrophobicContact CG2-CG2 4.41Å; P474-T499 CarbonylContact C-O 3.51Å; P474-T499 WeakPolarHBondContact CA-O 3.39Å; Y475-T499 PolarHBondContact N-O 2.93Å; Y475-T499 PolarHBondContact O-N 3.44Å
500	E	84.2	Confident	62.2	Low	130 Å²	130	106 Å²	106	61%	0.607	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.8	175.1	-72.4	170.8	-179.5	0	0	110.1	S417 P474	S417-E500 VanDerWaalsContact CB-O 3.27Å; S417-E500 WeakPolarHBondContact CB-O 3.4Å; S417-E500 PolarHBondContact OG-O 2.91Å; S417-E500 VanDerWaalsContact OG-O 3.11Å; P474-E500 HydrophobicContact CB-CG 3.93Å
501	T	83.9	Confident	62	Low	2 Å²	2	102.6 Å²	102.6	1%	0.012	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-70.4	147.8	172.2	47.5	0	0	0	0	110.1	I423 L469 E470 D472 S473 Y475	I423-T501 HydrophobicContact CD1-CG2 3.91Å; I423-T501 HydrophobicContact CG1-CG2 3.98Å; L469-T501 HydrophobicContact CB-CG2 4.06Å; L469-T501 HydrophobicContact CD1-CG2 4.17Å; E470-T501 WeakPolarHBondContact O-CB 3.37Å; E470-T501 PolarHBondContact O-OG1 2.86Å; D472-T501 PolarHBondContact N-OG1 3.07Å; D472-T501 VanDerWaalsContact N-OG1 3.16Å; S473-T501 PolarHBondContact N-OG1 2.91Å; S473-T501 PolarHBondContact O-N 3.23Å; S473-T501 VanDerWaalsContact O-N 3.15Å; S473-T501 PolarHBondContact O-OG1 3.19Å; Y475-T501 HydrophobicContact CD2-CG2 3.97Å; Y475-T501 HydrophobicContact CE2-CG2 3.86Å
502	A	79	Confident	61.1	Low	35 Å²	35	105.7 Å²	105.7	29%	0.289	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-64.6	148.1	-179.1	0	0	0	0	0	111	S420 D472	S420-A502 WeakPolarHBondContact CA-O 3.38Å; S420-A502 VanDerWaalsContact CB-O 3.23Å; S420-A502 WeakPolarHBondContact CB-O 3.5Å; D472-A502 PolarHBondContact N-O 3.3Å
503	P	74	Confident	60	Low	86 Å²	86	106.3 Å²	106.3	56%	0.558	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-65	143.7	174.8	25.1	-32.6	0	0	0	110.5	D472 R505	D472-P503 HydrophobicContact CB-CB 4.47Å; P503-R505 PolarHBondContact O-N 2.83Å; P503-R505 VanDerWaalsContact O-N 3.13Å
504	L	64.4	Low	58.6	Low	115 Å²	115	109 Å²	109	60%	0.602	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-56.8	117.9	167.4	-90	164.8	0	0	0	108.2	P471 M506	P471-L504 HydrophobicContact CB-CB 4.4Å; P471-L504 HydrophobicContact CB-CD1 3.9Å; P471-L504 HydrophobicContact CB-CG 3.67Å; P471-L504 HydrophobicContact CG-CD1 3.46Å; P471-L504 VanDerWaalsContact CG-CD1 3.46Å; P471-L504 HydrophobicContact CG-CG 3.83Å; L504-M506 PolarHBondContact O-N 2.87Å
505	R	58.3	Low	56.7	Low	253 Å²	253	115.9 Å²	115.9	96%	0.955	59%	0.592	S	S	*	*			trans	-68.1	87.3	167.7	-77.1	-169.2	178.1	-176.8	0.8	108.6	P503 Y507	P503-R505 PolarHBondContact O-N 2.83Å; P503-R505 VanDerWaalsContact O-N 3.13Å; R505-Y507 PolarHBondContact O-N 3.22Å
506	M	36.3	Very low	54.3	Low	159 Å²	159	120.7 Å²	120.7	78%	0.783	61%	0.612	S	S	*	*			trans	-77.4	113.8	170	-161.8	168.2	168.8	0	0	108.1	L504 N508	L504-M506 PolarHBondContact O-N 2.87Å; M506-N508 PolarHBondContact O-N 3.18Å; M506-N508 VanDerWaalsContact O-N 3.09Å
507	Y	38.8	Very low	51.8	Low	223 Å²	223	126 Å²	126	88%	0.875	63%	0.631	S	S	*	*			trans	-67.8	102	170.4	-151.4	-91.6	0	0	0	107.2	R505 P509	R505-Y507 PolarHBondContact O-N 3.22Å; Y507-P509 VanDerWaalsContact O-CD 3.3Å; Y507-P509 WeakPolarHBondContact O-CD 3.26Å
508	N	31.6	Very low	49.2	Very low	114 Å²	114	130 Å²	130	61%	0.61	65%	0.649	S	S	*	*			trans	-82.8	115.8	169.1	-87.7	-11	0	0	0	108.6	M506 T510	M506-N508 PolarHBondContact O-N 3.18Å; M506-N508 VanDerWaalsContact O-N 3.09Å; N508-T510 VanDerWaalsContact C-N 3.3Å; N508-T510 PolarHBondContact O-N 2.77Å
509	P	33.8	Very low	46.4	Very low	112 Å²	112	133.5 Å²	133.5	73%	0.727	66%	0.662	S	S	*	*			trans	-74.9	92.4	163.1	31.2	-27.1	0	0	0	106.6	Y507 T511	Y507-P509 VanDerWaalsContact O-CD 3.3Å; Y507-P509 WeakPolarHBondContact O-CD 3.26Å; P509-T511 PolarHBondContact O-N 3Å; P509-T511 VanDerWaalsContact O-N 3.11Å
510	T	31.7	Very low	43.7	Very low	116 Å²	116	140 Å²	140	71%	0.712	69%	0.691	S	S	*	*			trans	-72.4	104.7	168	20.9	0	0	0	0	108	N508 T512	N508-T510 VanDerWaalsContact C-N 3.3Å; N508-T510 PolarHBondContact O-N 2.77Å; T510-T512 PolarHBondContact O-N 2.6Å
511	T	35	Very low	42.2	Very low	139 Å²	139	137.8 Å²	137.8	85%	0.853	69%	0.687	S	S	*	*			trans	-54.8	101.3	158.2	39.6	0	0	0	0	109.4	P509	P509-T511 PolarHBondContact O-N 3Å; P509-T511 VanDerWaalsContact O-N 3.11Å
512	T	29.6	Very low	39.5	Very low	129 Å²	129	148.1 Å²	148.1	79%	0.791	73%	0.728	S	S	*	*			trans	-135.1	93.1	156	45.6	0	0	0	0	109.1	T510	T510-T512 PolarHBondContact O-N 2.6Å
513	L	29.3	Very low	37.4	Very low	160 Å²	160	153.9 Å²	153.9	84%	0.838	75%	0.746	S	S	*	*			trans	-122.3	104.7	154.4	-138.8	94.4	0	0	0	101.8
514	N	30.4	Very low	35.6	Very low	143 Å²	143	157.2 Å²	157.2	77%	0.765	76%	0.759	S	S	*	*				-157.2	139.9	53.6	-67.5	-47.7	0	0	0	110.2
515	R	28.9	Very low	35	Very low	216 Å²	216	156.1 Å²	156.1	82%	0.815	76%	0.759	S	S	*	*				165.5	115.2	116.7	-171.6	165	178.3	167.1	-4	110.9
516	E	32.8	Very low	34.1	Very low	147 Å²	147	152.3 Å²	152.3	69%	0.687	76%	0.758	S	S	*	*			trans	41.9	117	149.2	-60.6	168.7	149.6	0	0	119
517	Q	30.6	Very low	34.7	Very low	164 Å²	164	152.5 Å²	152.5	77%	0.766	76%	0.761	S	S	*	*				157.1	124.1	93.2	-159.1	157	-4.9	0	0	111.6
518	E	29.3	Very low	35.5	Very low	146 Å²	146	147 Å²	147	68%	0.682	75%	0.753	S	S	*	*			trans	60.2	98.8	150.9	-77.9	178.5	-160.9	0	0	121.6
519	K	28	Very low	36.2	Very low	192 Å²	192	149.2 Å²	149.2	84%	0.835	76%	0.764	S	S	*	*				158.5	111.3	101.6	-93.7	168.9	-176.5	174.8	0	111.9
520	E	28.8	Very low	37	Very low	160 Å²	160	148 Å²	148	75%	0.748	76%	0.763	S	S	*	*			trans	-86.9	179.8	153.6	-88.6	-122.7	150.3	0	0	109.3
521	P	51.4	Low	37.8	Very low	82 Å²	82	146.7 Å²	146.7	53%	0.532	76%	0.764	S	S	.	*			cis	-135.1	167.3	-20.8	20.3	3	0	0	0	113.6
522	Y	27.3	Very low	38.7	Very low	220 Å²	220	147.1 Å²	147.1	86%	0.863	76%	0.76	S	S	*	*				-174.5	122.6	107.6	-112.1	-87.4	0	0	0	113.1
523	K	36.1	Very low	40	Very low	156 Å²	156	146.7 Å²	146.7	68%	0.678	75%	0.751	S	S	*	*			trans	-67.2	151.1	173.4	-71.8	160.2	167.3	162.9	0	111.9
524	N	35.2	Very low	41.3	Very low	155 Å²	155	141.5 Å²	141.5	83%	0.829	74%	0.736	S	S	*	*				-166.2	150.7	98	-93.6	-17.8	0	0	0	115
525	P	52.5	Low	42.8	Very low	93 Å²	93	136.7 Å²	136.7	60%	0.604	72%	0.721	S	S	*	*			trans	-121.4	175	-160.3	34.2	-13.5	0	0	0	113.3
526	N	38.3	Very low	44.3	Very low	172 Å²	172	129.2 Å²	129.2	92%	0.92	71%	0.705	S	S	*	*			trans	-161.6	135.9	136.7	-92.1	-22.6	0	0	0	110.9
527	L	49	Very low	46.2	Very low	163 Å²	163	126.5 Å²	126.5	85%	0.853	70%	0.698	S	S	*	*			trans	-95	169.7	-165.1	-130.4	92.3	0	0	0	113.5
528	P	56	Low	48	Very low	109 Å²	109	120.9 Å²	120.9	71%	0.708	68%	0.68	S	S	*	*			trans	-101.7	144.4	-176.1	37.1	-27.3	0	0	0	114.6
529	L	46.5	Very low	50	Low	159 Å²	159	120 Å²	120	83%	0.832	68%	0.679	S	S	*	*			trans	-101.1	2.4	179.4	-148.2	89.4	0	0	0	114.1
530	A	50.3	Low	52.5	Low	86 Å²	86	115.1 Å²	115.1	71%	0.711	67%	0.665	S	S	*	*			trans	-90.2	-13.5	-164.6	0	0	0	0	0	116.1
531	A	47.5	Very low	54.7	Low	89 Å²	89	110.8 Å²	110.8	74%	0.736	65%	0.65	S	S	*	*	H	α-helix	trans	-83.4	-21.8	-170.1	0	0	0	0	0	114.7
532	I	54.9	Low	56.3	Low	149 Å²	149	112.3 Å²	112.3	76%	0.764	65%	0.652	S	S	*	*	H	α-helix	trans	-85.5	-26.9	-171.3	-59.1	174.6	0	0	0	111.6
533	I	56.6	Low	59	Low	120 Å²	120	104.4 Å²	104.4	62%	0.615	63%	0.632	S	S	*	*	H	α-helix	trans	-79.9	-32.5	-176.2	-57.5	172.1	0	0	0	111.4	V537	I533-V537 WeakPolarHBondContact O-CG2 3.2Å
534	G	56.4	Low	61.3	Low	50 Å²	50	101.9 Å²	101.9	52%	0.515	63%	0.626	S	S	.	*	H	α-helix	trans	-69.8	-34.9	-179.4	0	0	0	0	0	114.4
535	G	61.4	Low	63.6	Low	43 Å²	43	100 Å²	100	44%	0.443	62%	0.616	S	S	.	*	H	α-helix	trans	-71.1	-33.3	-178.6	0	0	0	0	0	113.8
536	A	60.5	Low	65.1	Low	58 Å²	58	98.6 Å²	98.6	48%	0.479	61%	0.611	S	S	.	*	H	α-helix	trans	-72.4	-35.6	-179.2	0	0	0	0	0	112.4	V540	A536-V540 WeakPolarHBondContact O-CG2 3.45Å; A536-V540 PolarHBondContact O-N 2.89Å
537	V	73.3	Confident	67.3	Low	90 Å²	90	95.4 Å²	95.4	55%	0.545	59%	0.594	S	S	.	*	H	α-helix	trans	-68.4	-41.2	-178.5	177.6	0	0	0	0	111.4	I533 L539 V540 T541	I533-V537 WeakPolarHBondContact O-CG2 3.2Å; V537-L539 PolarHBondContact O-N 2.95Å; V537-V540 PolarHBondContact O-N 2.91Å; V537-T541 WeakPolarHBondContact O-CG2 3.24Å; V537-T541 PolarHBondContact O-N 3.36Å; V537-T541 VanDerWaalsContact O-N 3.08Å; V537-T541 PolarHBondContact O-OG1 3.25Å
538	A	68.1	Low	68.9	Low	47 Å²	47	91.6 Å²	91.6	39%	0.388	58%	0.577	S	S	.	*	H	α-helix	trans	-63	-41.4	179.9	0	0	0	0	0	112.5	V540 T541 I542	A538-V540 PolarHBondContact O-N 3.22Å; A538-T541 WeakPolarHBondContact CA-OG1 3.43Å; A538-T541 PolarHBondContact O-N 3.48Å; A538-T541 PolarHBondContact O-OG1 3.11Å; A538-I542 WeakPolarHBondContact O-CG1 3.44Å; A538-I542 PolarHBondContact O-N 3.18Å; A538-I542 VanDerWaalsContact O-N 3.16Å
539	L	72.3	Confident	69.9	Low	127 Å²	127	90.6 Å²	90.6	67%	0.665	57%	0.571	S	S	*	*	H	α-helix	trans	-67.4	-36.7	179.2	-71.9	172.9	0	0	0	112.4	V537 A543	V537-L539 PolarHBondContact O-N 2.95Å; L539-A543 PolarHBondContact O-N 3.47Å; L539-A543 VanDerWaalsContact O-N 3.15Å
540	V	80.6	Confident	71.7	Confident	89 Å²	89	89.8 Å²	89.8	54%	0.539	56%	0.558	S	S	.	*	H	α-helix	trans	-68	-39.2	176.5	174.7	0	0	0	0	111.3	A536 V537 A538 I542 A543 L544	A536-V540 WeakPolarHBondContact O-CG2 3.45Å; A536-V540 PolarHBondContact O-N 2.89Å; V537-V540 PolarHBondContact O-N 2.91Å; A538-V540 PolarHBondContact O-N 3.22Å; V540-I542 PolarHBondContact O-N 2.75Å; V540-A543 PolarHBondContact O-N 3.09Å; V540-L544 HydrophobicContact CG1-CD1 4.15Å; V540-L544 PolarHBondContact O-N 3.26Å
541	T	75.4	Confident	73.2	Confident	70 Å²	70	92.5 Å²	92.5	43%	0.429	55%	0.55	S	S	.	*	H	α-helix	trans	-66.5	-37.3	178.2	52.1	0	0	0	0	113.2	V537 A538 L544 L545	V537-T541 WeakPolarHBondContact O-CG2 3.24Å; V537-T541 PolarHBondContact O-N 3.36Å; V537-T541 VanDerWaalsContact O-N 3.08Å; V537-T541 PolarHBondContact O-OG1 3.25Å; A538-T541 WeakPolarHBondContact CA-OG1 3.43Å; A538-T541 PolarHBondContact O-N 3.48Å; A538-T541 PolarHBondContact O-OG1 3.11Å; T541-L544 PolarHBondContact O-N 3.4Å; T541-L545 PolarHBondContact O-N 3.49Å; T541-L545 VanDerWaalsContact O-N 3.12Å
542	I	84.8	Confident	74.5	Confident	113 Å²	113	92.8 Å²	92.8	58%	0.579	54%	0.543	S	S	*	.	H	α-helix	trans	-69.2	-40.4	178.1	-66.7	166.8	0	0	0	110.4	A538 V540 L545 A546	A538-I542 WeakPolarHBondContact O-CG1 3.44Å; A538-I542 PolarHBondContact O-N 3.18Å; A538-I542 VanDerWaalsContact O-N 3.16Å; V540-I542 PolarHBondContact O-N 2.75Å; I542-L545 PolarHBondContact O-N 2.89Å; I542-A546 PolarHBondContact O-N 2.94Å; I542-A546 VanDerWaalsContact O-N 3.09Å
543	A	83.6	Confident	75.4	Confident	54 Å²	54	93.7 Å²	93.7	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-64.8	-39.4	176.6	0	0	0	0	0	112.6	L539 V540 A546 L547	L539-A543 PolarHBondContact O-N 3.47Å; L539-A543 VanDerWaalsContact O-N 3.15Å; V540-A543 PolarHBondContact O-N 3.09Å; A543-A546 PolarHBondContact O-N 3.3Å; A543-L547 PolarHBondContact O-N 2.73Å
544	L	85	Confident	76.1	Confident	104 Å²	104	95.5 Å²	95.5	55%	0.545	54%	0.543	S	S	.	.	H	α-helix	trans	-64.7	-42.9	176.2	-90.7	162.5	0	0	0	112.4	V540 T541 A546 L547 V548	V540-L544 HydrophobicContact CG1-CD1 4.15Å; V540-L544 PolarHBondContact O-N 3.26Å; T541-L544 PolarHBondContact O-N 3.4Å; L544-A546 PolarHBondContact O-N 3.29Å; L544-L547 PolarHBondContact O-N 3.33Å; L544-V548 WeakPolarHBondContact O-CG2 3.29Å; L544-V548 PolarHBondContact O-N 2.95Å
545	L	82.7	Confident	76.4	Confident	116 Å²	116	96.3 Å²	96.3	61%	0.607	54%	0.535	S	S	*	.	H	α-helix	trans	-62.9	-41.3	176.2	-85.4	161.4	0	0	0	112	T541 I542 L547 V548 C549	T541-L545 PolarHBondContact O-N 3.49Å; T541-L545 VanDerWaalsContact O-N 3.12Å; I542-L545 PolarHBondContact O-N 2.89Å; L545-L547 VanDerWaalsContact C-N 3.34Å; L545-L547 PolarHBondContact O-N 3.47Å; L545-V548 PolarHBondContact O-N 3.49Å; L545-C549 PolarHBondContact O-N 3Å; L545-C549 PolarHBondContact O-SG 2.85Å
546	A	83.8	Confident	76	Confident	62 Å²	62	96.9 Å²	96.9	51%	0.512	54%	0.541	S	S	.	.	H	α-helix	trans	-63.1	-39.8	175.9	0	0	0	0	0	112.3	I542 A543 L544 C549 W550	I542-A546 PolarHBondContact O-N 2.94Å; I542-A546 VanDerWaalsContact O-N 3.09Å; A543-A546 PolarHBondContact O-N 3.3Å; L544-A546 PolarHBondContact O-N 3.29Å; A546-C549 PolarHBondContact O-N 3.38Å; A546-W550 WeakPolarHBondContact O-CB 3.49Å; A546-W550 PolarHBondContact O-N 3.32Å
547	L	84.6	Confident	75.5	Confident	106 Å²	106	98.6 Å²	98.6	56%	0.555	55%	0.549	S	S	*	.	H	α-helix	trans	-65.2	-40	175.4	-96.9	157.4	0	0	0	112.6	A543 L544 L545 W550 Y551	A543-L547 PolarHBondContact O-N 2.73Å; L544-L547 PolarHBondContact O-N 3.33Å; L545-L547 VanDerWaalsContact C-N 3.34Å; L545-L547 PolarHBondContact O-N 3.47Å; L547-W550 PolarHBondContact O-N 3.05Å; L547-Y551 VanDerWaalsContact O-CB 3.31Å; L547-Y551 WeakPolarHBondContact O-CB 3.13Å; L547-Y551 PolarHBondContact O-N 3.32Å
548	V	82.2	Confident	74.2	Confident	83 Å²	83	100.3 Å²	100.3	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-66.6	-45.3	176.3	172.4	0	0	0	0	110.9	L544 L545 W550 Y551 V552	L544-V548 WeakPolarHBondContact O-CG2 3.29Å; L544-V548 PolarHBondContact O-N 2.95Å; L545-V548 PolarHBondContact O-N 3.49Å; V548-W550 VanDerWaalsContact C-N 3.31Å; V548-W550 PolarHBondContact O-N 3.15Å; V548-Y551 PolarHBondContact O-N 2.97Å; V548-V552 HydrophobicContact CG1-CG2 4.37Å; V548-V552 WeakPolarHBondContact O-CG2 3.2Å; V548-V552 PolarHBondContact O-N 3.3Å
549	C	78.4	Confident	73.1	Confident	87 Å²	87	108.3 Å²	108.3	59%	0.588	58%	0.581	S	S	*	*	H	α-helix	trans	-60.8	-41.1	175.7	-72.5	0	0	0	0	111.9	L545 A546 H553	L545-C549 PolarHBondContact O-N 3Å; L545-C549 PolarHBondContact O-SG 2.85Å; A546-C549 PolarHBondContact O-N 3.38Å; C549-H553 WeakPolarHBondContact O-CB 3.37Å; C549-H553 PolarHBondContact O-N 2.92Å
550	W	82.9	Confident	71.7	Confident	143 Å²	143	107.6 Å²	107.6	54%	0.542	59%	0.587	S	S	.	*	H	α-helix	trans	-66.1	-40.9	175.9	-176.1	83.3	0	0	0	112.5	A546 L547 V548 H553 R554	A546-W550 WeakPolarHBondContact O-CB 3.49Å; A546-W550 PolarHBondContact O-N 3.32Å; L547-W550 PolarHBondContact O-N 3.05Å; V548-W550 VanDerWaalsContact C-N 3.31Å; V548-W550 PolarHBondContact O-N 3.15Å; W550-H553 PolarHBondContact O-N 3.12Å; W550-R554 VanDerWaalsContact O-CB 3.29Å; W550-R554 WeakPolarHBondContact O-CB 3.16Å; W550-R554 PolarHBondContact O-N 2.9Å
551	Y	81.2	Confident	69.8	Low	142 Å²	142	113.6 Å²	113.6	56%	0.557	60%	0.6	S	S	*	*	H	α-helix	trans	-65.4	-43.7	177.4	-176.5	-99.7	0	0	0	112.3	L547 V548 R554 N555	L547-Y551 VanDerWaalsContact O-CB 3.31Å; L547-Y551 WeakPolarHBondContact O-CB 3.13Å; L547-Y551 PolarHBondContact O-N 3.32Å; V548-Y551 PolarHBondContact O-N 2.97Å; Y551-R554 PolarHBondContact O-N 3.34Å; Y551-N555 WeakPolarHBondContact CE2-ND2 3.22Å; Y551-N555 WeakPolarHBondContact O-CB 3.4Å; Y551-N555 PolarHBondContact O-N 2.93Å; Y551-N555 PolarHBondContact OH-ND2 3.1Å; Y551-N555 VanDerWaalsContact OH-ND2 3.12Å
552	V	76.2	Confident	68	Low	95 Å²	95	118 Å²	118	58%	0.576	62%	0.621	S	S	*	*	H	α-helix	trans	-65.1	-40.8	177.2	172.1	0	0	0	0	111.1	V548 G556	V548-V552 HydrophobicContact CG1-CG2 4.37Å; V548-V552 WeakPolarHBondContact O-CG2 3.2Å; V548-V552 PolarHBondContact O-N 3.3Å; V552-G556 PolarHBondContact O-N 3.36Å
553	H	74.1	Confident	65.8	Low	168 Å²	168	119.4 Å²	119.4	78%	0.778	64%	0.639	S	S	*	*	H	α-helix	trans	-66.7	-38	176.2	-172.8	-89.6	0	0	0	112.2	C549 W550	C549-H553 WeakPolarHBondContact O-CB 3.37Å; C549-H553 PolarHBondContact O-N 2.92Å; W550-H553 PolarHBondContact O-N 3.12Å
554	R	70.7	Confident	63.3	Low	159 Å²	159	120.9 Å²	120.9	60%	0.6	65%	0.651	S	S	*	*	H	α-helix	trans	-78.1	-31.7	-178.6	-168.1	167.5	-178.6	165.1	1.3	113.6	W550 Y551	W550-R554 VanDerWaalsContact O-CB 3.29Å; W550-R554 WeakPolarHBondContact O-CB 3.16Å; W550-R554 PolarHBondContact O-N 2.9Å; Y551-R554 PolarHBondContact O-N 3.34Å
555	N	63	Low	60.7	Low	67 Å²	67	125.3 Å²	125.3	36%	0.358	66%	0.662	S	S	.	*	H	α-helix	trans	-95.9	-2.9	177.4	-83.7	5.7	0	0	0	114.4	Y551 S557 L558	Y551-N555 WeakPolarHBondContact CE2-ND2 3.22Å; Y551-N555 WeakPolarHBondContact O-CB 3.4Å; Y551-N555 PolarHBondContact O-N 2.93Å; Y551-N555 PolarHBondContact OH-ND2 3.1Å; Y551-N555 VanDerWaalsContact OH-ND2 3.12Å; N555-S557 PolarHBondContact O-N 3.34Å; N555-L558 PolarHBondContact O-N 3.35Å; N555-L558 VanDerWaalsContact O-N 3.12Å
556	G	53.6	Low	58.3	Low	55 Å²	55	125.6 Å²	125.6	57%	0.567	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-9	173.5	0	0	0	0	0	114.9	V552	V552-G556 PolarHBondContact O-N 3.36Å
557	S	49.1	Very low	55.9	Low	94 Å²	94	131.8 Å²	131.8	66%	0.657	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	5.1	173.5	78.1	0	0	0	0	114.7	N555	N555-S557 PolarHBondContact O-N 3.34Å
558	L	46.4	Very low	53.4	Low	126 Å²	126	130.3 Å²	130.3	66%	0.66	70%	0.699	S	S	*	*	S	Bend	trans	-104.9	-4.3	-179.7	-80.6	165.4	0	0	0	115.1	N555	N555-L558 PolarHBondContact O-N 3.35Å; N555-L558 VanDerWaalsContact O-N 3.12Å
559	F	44	Very low	51	Low	214 Å²	214	137.3 Å²	137.3	94%	0.939	72%	0.717	S	S	*	*	S	Bend	trans	-103.1	7.2	176	-110.3	-86.8	0	0	0	114.9
560	S	42.8	Very low	49	Very low	112 Å²	112	143.7 Å²	143.7	78%	0.783	73%	0.728	S	S	*	*	S	Bend	trans	-111	21.6	175.9	-162.8	0	0	0	0	113.2
561	R	41.5	Very low	46.6	Very low	216 Å²	216	147.6 Å²	147.6	82%	0.815	74%	0.743	S	S	*	*			trans	-130.1	73.7	175.4	-99.2	175.9	142.4	177.4	-5.5	109.4
562	N	38.4	Very low	44.5	Very low	163 Å²	163	149.3 Å²	149.3	87%	0.872	75%	0.753	S	S	*	*			trans	-174.9	81.4	150.8	-91.2	-16.6	0	0	0	109.2
563	C	37.4	Very low	42.6	Very low	142 Å²	142	151.2 Å²	151.2	96%	0.959	76%	0.76	S	S	*	*			trans	-166	78.9	146	-106	0	0	0	0	108
564	A	31.2	Very low	40.6	Very low	85 Å²	85	150.8 Å²	150.8	70%	0.702	76%	0.764	S	S	*	*			trans	-137.2	127.5	163.9	0	0	0	0	0	109.5
565	Y	30.7	Very low	38.7	Very low	196 Å²	196	154.9 Å²	154.9	77%	0.769	78%	0.781	S	S	*	*			trans	82.2	103.9	163.9	-70.8	-80.3	0	0	0	120.5	K567	Y565-K567 HydrophobicContact CD1-CD 4.46Å; Y565-K567 HydrophobicContact CD1-CG 4.17Å; Y565-K567 HydrophobicContact CE1-CD 4.28Å; Y565-K567 HydrophobicContact CE1-CG 4.19Å
566	S	31.9	Very low	37.3	Very low	123 Å²	123	156 Å²	156	86%	0.86	80%	0.8	S	S	*	*				-126.9	108.9	120.3	63.1	0	0	0	0	109.9
567	K	33.7	Very low	36.3	Very low	192 Å²	192	162.2 Å²	162.2	84%	0.835	81%	0.814	S	S	*	*			trans	-68.7	125.5	170.3	-111.4	173.7	175.1	173.5	0	109	Y565	Y565-K567 HydrophobicContact CD1-CD 4.46Å; Y565-K567 HydrophobicContact CD1-CG 4.17Å; Y565-K567 HydrophobicContact CE1-CD 4.28Å; Y565-K567 HydrophobicContact CE1-CG 4.19Å
568	G	31.2	Very low	35.5	Very low	74 Å²	74	162.2 Å²	162.2	76%	0.763	82%	0.82	S	S	*	*			trans	-155.8	73	174.9	0	0	0	0	0	113.3
569	R	33.1	Very low	34.8	Very low	230 Å²	230	160 Å²	160	87%	0.868	83%	0.827	S	S	*	*			trans	39.9	117.3	149.6	-108.9	178.5	-175.2	-171.4	2.7	121
570	R	35.4	Very low	34.4	Very low	221 Å²	221	156.3 Å²	156.3	83%	0.834	82%	0.822	S	S	*	*			trans	58.9	117.4	141.8	-78.9	-179.4	174.1	-178	-2	116.7
571	R	33.6	Very low	33.8	Very low	225 Å²	225	160.4 Å²	160.4	85%	0.849	83%	0.826	S	S	*	*				-178.7	144.4	60.1	-111.7	174.7	175.1	173.2	-2.3	108.3
572	K	35.8	Very low	33.6	Very low	178 Å²	178	158.5 Å²	158.5	77%	0.774	82%	0.824	S	S	*	*			trans	44.1	128.5	143.5	-82.5	-165.1	154.1	-171.5	0	118.7
573	D	37.6	Very low	33.3	Very low	136 Å²	136	158 Å²	158	73%	0.727	82%	0.821	S	S	*	*			cis	-152.8	146.7	20.9	-73.8	-52	0	0	0	109.2
574	D	32.5	Very low	33.6	Very low	159 Å²	159	158.5 Å²	158.5	85%	0.85	81%	0.814	S	S	*	*			trans	-85.2	133.1	175.4	-66.4	-48.2	0	0	0	110.6
575	Y	30.7	Very low	33.9	Very low	244 Å²	244	159.2 Å²	159.2	96%	0.957	81%	0.814	S	S	*	*			trans	-146.4	115.4	142.1	-104.1	-79.4	0	0	0	108.7
576	A	32	Very low	34.1	Very low	92 Å²	92	157.7 Å²	157.7	76%	0.76	82%	0.817	S	S	*	*			trans	-123.4	128.4	171.5	0	0	0	0	0	107.5
577	E	33	Very low	34.1	Very low	185 Å²	185	159.1 Å²	159.1	86%	0.864	81%	0.814	S	S	*	*			trans	-167.2	106.4	152.2	-147.4	156.3	-166.3	0	0	107.2
578	A	32.8	Very low	33.9	Very low	94 Å²	94	156.2 Å²	156.2	78%	0.777	80%	0.804	S	S	*	*				65.2	124.3	86.5	0	0	0	0	0	113.6
579	G	32.6	Very low	34.2	Very low	78 Å²	78	159.8 Å²	159.8	80%	0.804	80%	0.804	S	S	*	*			trans	-78.5	167.1	-176	0	0	0	0	0	115.2
580	T	33.8	Very low	34.1	Very low	138 Å²	138	157.8 Å²	157.8	85%	0.847	80%	0.796	S	S	*	*			trans	-138.9	115.6	161.3	48.9	0	0	0	0	106.3
581	K	30.9	Very low	34.2	Very low	197 Å²	197	155.5 Å²	155.5	86%	0.857	80%	0.795	S	S	*	*				61	88.1	81.3	-158.7	179	-175.2	-176.8	0	113.2
582	K	37.7	Very low	34.5	Very low	177 Å²	177	150.9 Å²	150.9	77%	0.77	79%	0.792	S	S	*	*			trans	29.9	98.3	136.2	-159.8	-178.4	-169.6	-179.2	0	116.7
583	D	32.8	Very low	34.3	Very low	153 Å²	153	147.6 Å²	147.6	82%	0.818	79%	0.792	S	S	*	*			trans	-124.4	115.8	148.4	-83.9	-35.3	0	0	0	109.5	S585	D583-S585 PolarHBondContact O-N 3.31Å
584	N	43.4	Very low	34.1	Very low	152 Å²	152	150.9 Å²	150.9	81%	0.813	80%	0.8	S	S	*	*			trans	-82.1	92.6	165.7	-79.4	-3.2	0	0	0	107.3
585	S	36.8	Very low	34	Very low	99 Å²	99	151.6 Å²	151.6	69%	0.692	80%	0.798	S	S	*	*			trans	-121.6	103.6	160.7	59.2	0	0	0	0	108.6	D583 L587	D583-S585 PolarHBondContact O-N 3.31Å; S585-L587 PolarHBondContact O-N 2.7Å
586	I	35.1	Very low	34	Very low	164 Å²	164	148.4 Å²	148.4	84%	0.841	79%	0.794	S	S	*	*			trans	-59.1	117.7	169	-67	163.4	0	0	0	107.5	E588	I586-E588 PolarHBondContact O-N 3.44Å
587	L	30.8	Very low	34	Very low	153 Å²	153	151 Å²	151	80%	0.801	79%	0.794	S	S	*	*			trans	-83.9	96.1	166	-107.8	149.1	0	0	0	107.5	S585 I589	S585-L587 PolarHBondContact O-N 2.7Å; L587-I589 HydrophobicContact CD2-CG1 4.43Å; L587-I589 PolarHBondContact O-N 2.75Å
588	E	31.5	Very low	33.8	Very low	132 Å²	132	148 Å²	148	62%	0.617	79%	0.79	S	S	*	*			trans	-76.9	102.7	166.5	-167	-176	175.4	0	0	107.6	I586 R590	I586-E588 PolarHBondContact O-N 3.44Å; E588-R590 HydrophobicContact CG-CG 4.41Å; E588-R590 IonicContact OE1-CZ 2.75Å; E588-R590 VanDerWaalsContact OE1-CZ 3.29Å; E588-R590 IonicContact OE1-NE 3.23Å; E588-R590 PolarHBondContact OE1-NE 3.12Å; E588-R590 IonicContact OE1-NH2 2.72Å; E588-R590 PolarHBondContact OE1-NH2 3.03Å
589	I	37.3	Very low	33.8	Very low	148 Å²	148	151.6 Å²	151.6	76%	0.759	80%	0.795	S	S	*	*			trans	-91.6	111.2	172.7	-59.3	174.3	0	0	0	107.2	L587	L587-I589 HydrophobicContact CD2-CG1 4.43Å; L587-I589 PolarHBondContact O-N 2.75Å
590	R	30.9	Very low	33.9	Very low	189 Å²	189	152.2 Å²	152.2	71%	0.713	79%	0.787	S	S	*	*			trans	-99.7	131.3	166.8	-68.6	-166	-178.7	-168.4	2.4	109.6	E588	E588-R590 HydrophobicContact CG-CG 4.41Å; E588-R590 IonicContact OE1-CZ 2.75Å; E588-R590 VanDerWaalsContact OE1-CZ 3.29Å; E588-R590 IonicContact OE1-NE 3.23Å; E588-R590 PolarHBondContact OE1-NE 3.12Å; E588-R590 IonicContact OE1-NH2 2.72Å; E588-R590 PolarHBondContact OE1-NH2 3.03Å
591	E	36.8	Very low	33.9	Very low	173 Å²	173	152.5 Å²	152.5	81%	0.808	78%	0.784	S	S	*	*			trans	90.3	105.6	158.2	-64.4	179.3	-173.7	0	0	120.3
592	T	38.8	Very low	33.9	Very low	128 Å²	128	151.8 Å²	151.8	79%	0.785	78%	0.783	S	S	*	*				21.8	97.4	126.6	60.7	0	0	0	0	119.5
593	S	32.8	Very low	34.2	Very low	109 Å²	109	148.5 Å²	148.5	76%	0.762	78%	0.78	S	S	*	*				164.9	107.2	117.2	45.6	0	0	0	0	110.1
594	F	33.8	Very low	34.2	Very low	204 Å²	204	149.2 Å²	149.2	90%	0.895	78%	0.782	S	S	*	*			trans	-135.3	117.4	158.9	-100.8	-84.1	0	0	0	108.6
595	Q	29.8	Very low	33.5	Very low	175 Å²	175	146.7 Å²	146.7	82%	0.818	78%	0.776	S	S	*	*			trans	-106.5	118.5	172	-167.5	176.6	8.7	0	0	106.7
596	M	31.1	Very low	33.5	Very low	177 Å²	177	151.9 Å²	151.9	87%	0.872	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-100.7	121.4	173.6	-74.3	-179.5	170.8	0	0	109
597	L	32.1	Very low	33.3	Very low	146 Å²	146	152.3 Å²	152.3	76%	0.764	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-101.6	139.4	169.2	-80.6	160.9	0	0	0	109.3
598	P	28.6	Very low	33.2	Very low	121 Å²	121	154 Å²	154	79%	0.786	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-83.3	138.1	179.9	33.1	-31.3	0	0	0	110.8
599	I	33	Very low	33.1	Very low	170 Å²	170	157 Å²	157	87%	0.872	80%	0.8	S	S	*	*			trans	-116.1	115.6	161.8	-63.1	177.6	0	0	0	107.8
600	S	34.2	Very low	32.7	Very low	91 Å²	91	155.6 Å²	155.6	64%	0.636	80%	0.798	S	S	*	*			trans	-73.8	152.6	175.6	54.1	0	0	0	0	113.1
601	N	33.1	Very low	32.6	Very low	145 Å²	145	153.9 Å²	153.9	78%	0.775	80%	0.801	S	S	*	*			trans	89	90.5	149.3	-63.8	-4	0	0	0	120.3
602	E	31.8	Very low	32.2	Very low	182 Å²	182	153.6 Å²	153.6	85%	0.85	80%	0.8	S	S	*	*			trans	60.1	169.8	138.4	-56.4	-155.7	154.5	0	0	120.9
603	P	43.8	Very low	31.9	Very low	108 Å²	108	153.9 Å²	153.9	70%	0.701	80%	0.802	S	S	*	*				-128.2	121.2	-86	33.9	-13.9	0	0	0	111.6
604	I	32	Very low	31.6	Very low	168 Å²	168	155.5 Å²	155.5	86%	0.862	80%	0.8	S	S	*	*			trans	-135.4	139.7	175.9	-58.5	-179.9	0	0	0	112.4
605	S	30.4	Very low	31.4	Very low	99 Å²	99	154.9 Å²	154.9	69%	0.692	80%	0.797	S	S	*	*			trans	-48.1	148.8	-172.9	46.3	0	0	0	0	118.6	E607	S605-E607 PolarHBondContact O-N 3.42Å
606	K	36.6	Very low	31.5	Very low	207 Å²	207	152.1 Å²	152.1	90%	0.9	80%	0.795	S	S	*	*			trans	-13.1	111.1	154.2	-73.9	176.5	172.3	178.5	0	115.4
607	E	31.1	Very low	31.6	Very low	174 Å²	174	149.6 Å²	149.6	81%	0.813	79%	0.791	S	S	*	*			trans	-142.5	139.3	145.5	-75.3	-170.2	162	0	0	109.6	S605	S605-E607 PolarHBondContact O-N 3.42Å
608	E	28.7	Very low	31.4	Very low	187 Å²	187	151.1 Å²	151.1	87%	0.874	80%	0.8	S	S	*	*			trans	-59.9	132.6	179.4	-82.4	167.5	131.3	0	0	112.2
609	F	29	Very low	31.6	Very low	197 Å²	197	148.6 Å²	148.6	86%	0.864	80%	0.796	S	S	*	*			trans	-105.4	111.1	164.2	-67.3	-78	0	0	0	109.9
610	V	28.6	Very low	31.5	Very low	118 Å²	118	148.7 Å²	148.7	72%	0.715	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-85.3	120	169.2	175.6	0	0	0	0	108.2
611	I	29.8	Very low	31.1	Very low	153 Å²	153	152.2 Å²	152.2	79%	0.785	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-88.1	116.1	174.1	-61.1	174.4	0	0	0	108.5
612	H	28.1	Very low	30.9	Very low	166 Å²	166	152.1 Å²	152.1	77%	0.769	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-83.4	124.5	168.5	-89.3	-70	0	0	0	110.7
613	T	31.2	Very low	30.7	Very low	135 Å²	135	153.1 Å²	153.1	83%	0.828	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-78.8	122.8	170.9	51.2	0	0	0	0	110.6
614	I	26.5	Very low	29.9	Very low	142 Å²	142	156.2 Å²	156.2	73%	0.728	81%	0.805	S	S	*	*			trans	-96.8	110.2	169.8	-59.5	172.2	0	0	0	107
615	F	30.7	Very low	29.6	Very low	191 Å²	191	153.9 Å²	153.9	84%	0.838	79%	0.794	S	S	*	*			trans	159.4	122.2	141.6	-79.7	-58.8	0	0	0	109.7
616	P	30.9	Very low	29.4	Very low	118 Å²	118	154.8 Å²	154.8	77%	0.766	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-87.8	152.6	167.5	33.9	-29.2	0	0	0	111.4
617	P	32.8	Very low	29.1	Very low	123 Å²	123	153 Å²	153	80%	0.799	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-82	137.6	178.7	33	-31.5	0	0	0	111.2	G619	P617-G619 PolarHBondContact O-N 3.39Å
618	N	28.8	Very low	29.1	Very low	179 Å²	179	148.8 Å²	148.8	96%	0.957	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-73.6	117.8	164.8	-82.7	-25.1	0	0	0	109.6
619	G	32.4	Very low	29.1	Very low	67 Å²	67	149 Å²	149	69%	0.691	78%	0.777	S	S	*	*			trans	-147.3	119.1	170.5	0	0	0	0	0	111.8	P617	P617-G619 PolarHBondContact O-N 3.39Å
620	M	30.6	Very low	29.2	Very low	172 Å²	172	144.5 Å²	144.5	85%	0.847	77%	0.77	S	S	*	*			trans	70	109.4	151.3	-77.1	163	40.4	0	0	120.7
621	N	26.6	Very low	29.3	Very low	166 Å²	166	143.5 Å²	143.5	89%	0.888	77%	0.768	S	S	*	*			trans	-70.6	123.2	150.1	-81.3	-36.6	0	0	0	110.9
622	L	29	Very low	29.4	Very low	142 Å²	142	140.8 Å²	140.8	74%	0.743	76%	0.763	S	S	*	*			trans	-145.1	108.3	152.2	-88.5	171.8	0	0	0	109.9
623	Y	26.7	Very low	29.4	Very low	204 Å²	204	139.4 Å²	139.4	80%	0.8	76%	0.761	S	S	*	*			trans	42.6	123.6	147.8	-83.3	-88.1	0	0	0	123.6
624	K	27.3	Very low	29.4	Very low	173 Å²	173	143.2 Å²	143.2	75%	0.752	76%	0.76	S	S	*	*			trans	50.9	138.7	136.4	-85.3	-175.3	170.5	175.6	0	118.4
625	N	25.7	Very low	29.4	Very low	118 Å²	118	140.7 Å²	140.7	63%	0.631	76%	0.755	S	S	*	*			cis	-171.3	156.3	28.9	-134.8	12.7	0	0	0	109.5
626	N	26.2	Very low	29.3	Very low	118 Å²	118	142.5 Å²	142.5	63%	0.631	76%	0.758	S	S	*	*			trans	44.4	118.2	150	-66.8	-1.8	0	0	0	121.8
627	H	30.9	Very low	29.4	Very low	169 Å²	169	147.5 Å²	147.5	78%	0.782	76%	0.761	S	S	*	*				-178.5	130.5	96	-104.2	-73.2	0	0	0	113.7
628	S	30	Very low	29.2	Very low	86 Å²	86	148.1 Å²	148.1	60%	0.601	76%	0.758	S	S	*	*			trans	44.2	124.2	142	58	0	0	0	0	123.8
629	E	30.7	Very low	29.3	Very low	192 Å²	192	144.7 Å²	144.7	90%	0.897	75%	0.748	S	S	*	*			trans	67.7	140.8	131.3	-63.4	179	165.8	0	0	118
630	S	29.7	Very low	29	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	75%	0.754	S	S	*	*			cis	-153.7	158.9	16.5	76.9	0	0	0	0	111.3
631	S	30.7	Very low	29	Very low	98 Å²	98	144.9 Å²	144.9	69%	0.685	75%	0.754	S	S	*	*			trans	22.2	138.1	139.8	68.7	0	0	0	0	119.5
632	S	31.3	Very low	29.7	Very low	96 Å²	96	141.8 Å²	141.8	67%	0.671	74%	0.743	S	S	*	*			cis	174.6	149.4	19.8	38.1	0	0	0	0	109.8
633	N	29.8	Very low	29.8	Very low	136 Å²	136	141.7 Å²	141.7	73%	0.727	74%	0.743	S	S	*	*			trans	84	117.8	136.5	-77.8	-13.5	0	0	0	122.7
634	R	29.6	Very low	30	Very low	216 Å²	216	136.8 Å²	136.8	82%	0.815	74%	0.738	S	S	*	*				101.5	93.5	123.4	-83.6	178.8	172.1	171	-2.7	118.5
635	S	28.1	Very low	30.2	Very low	89 Å²	89	134.6 Å²	134.6	62%	0.622	74%	0.735	S	S	*	*				40.9	125.5	113.4	65.7	0	0	0	0	119
636	Y	28.4	Very low	30.6	Very low	228 Å²	228	136.4 Å²	136.4	89%	0.894	74%	0.74	S	S	*	*				-164.1	135.3	105.7	-116.8	-89.4	0	0	0	110.2
637	R	31.6	Very low	30.8	Very low	223 Å²	223	135.4 Å²	135.4	84%	0.842	74%	0.742	S	S	*	*			trans	-78.9	151.1	163	-74.8	178.7	168.4	166.9	-4.4	108.2
638	D	30.2	Very low	31	Very low	136 Å²	136	135.8 Å²	135.8	73%	0.727	74%	0.744	S	S	*	*				144.5	144	99.2	-139.2	-29.3	0	0	0	112.6
639	S	29.6	Very low	31.3	Very low	108 Å²	108	141.2 Å²	141.2	76%	0.755	78%	0.781	S	S	*	*			trans	78.3	128.4	145.1	-57.1	0	0	0	0	121
640	G	27.2	Very low	31.3	Very low	79 Å²	79	138.7 Å²	138.7	81%	0.814	78%	0.775	S	S	*	*			trans	132.9	91.6	138.7	0	0	0	0	0	117.2
641	I	30.9	Very low	31.4	Very low	163 Å²	163	140.6 Å²	140.6	84%	0.836	78%	0.779	S	S	*	*			trans	-88.8	141.2	147.5	-60.5	172.6	0	0	0	104
642	P	41.2	Very low	31.4	Very low	101 Å²	101	142.9 Å²	142.9	66%	0.656	78%	0.784	S	S	*	*				-159.1	175.9	62.4	43.9	-21	0	0	0	120.3
643	D	29.2	Very low	31.4	Very low	141 Å²	141	145.7 Å²	145.7	75%	0.754	79%	0.79	S	S	*	*			trans	74.4	125.2	146.3	-62.9	-21.2	0	0	0	123.7
644	S	31.2	Very low	31.5	Very low	100 Å²	100	146.3 Å²	146.3	70%	0.699	79%	0.794	S	S	*	*				36	133.9	126.4	-42.4	0	0	0	0	117.9
645	D	31.7	Very low	31.6	Very low	128 Å²	128	141.7 Å²	141.7	68%	0.684	79%	0.793	S	S	*	*			cis	179.4	166.3	47.6	-128.2	-34.8	0	0	0	108.8
646	H	33.5	Very low	31.9	Very low	156 Å²	156	145.4 Å²	145.4	72%	0.722	81%	0.805	S	S	*	*			trans	75.8	114.3	150.5	-64.1	-20.2	0	0	0	123.5
647	S	32.1	Very low	32.2	Very low	97 Å²	97	139.1 Å²	139.1	68%	0.678	80%	0.798	S	S	*	*				88.9	128.8	114.6	74.5	0	0	0	0	121.8
648	H	34.6	Very low	32.2	Very low	177 Å²	177	132.1 Å²	132.1	82%	0.819	80%	0.795	S	S	*	*			trans	53.7	111.2	145	-67	-58.7	0	0	0	120.2
649	S	35.1	Very low	32.4	Very low	199 Å²	199	131.7 Å²	131.7	100%	1.392	80%	0.801	S	S	*	*				-152.7	0	119.5	-65.4	0	0	0	0	108.9

Retrieved 649 of 649 residues in 442.6 ms (Link to these results)

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