A0A096MYT7_PAPAN Loading...

Leucine-rich repeat transmembrane protein FLRT3

AlphaFold DB (A0A2J8VD74), UniProt , Accession A0A096MYT7, Species PAPAN (Papio anubis, Olive baboon), Gene FLRT3, Length 649 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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 181 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).