A0A077Z6Q8_TRITR Loading...

LRRNT and LRR 8 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6Q8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	35.9	Very low	214 Å²	214	129.8 Å²	129.8	100%	1.054	69%	0.693	S	S	*	*				0	120.1	0	-72.8	167.6	169.3	0	0	108.3	C3	M1-C3 PolarHBondContact O-N 3.18Å
2	R	33.8	Very low	36	Very low	212 Å²	212	129.8 Å²	129.8	80%	0.8	70%	0.701	S	S	*	*			trans	-82.8	106.1	179.2	-67.9	-176.6	176.2	-174.4	-0.6	108.9	N4	R2-N4 VanDerWaalsContact CB-OD1 3.3Å; R2-N4 WeakPolarHBondContact CB-OD1 3.29Å; R2-N4 WeakPolarHBondContact CD-OD1 3.02Å; R2-N4 PolarHBondContact O-N 2.77Å
3	C	50.1	Low	36.6	Very low	28 Å²	28	126 Å²	126	19%	0.189	70%	0.698	C	S	.	*			trans	-69.2	82.4	158.8	-163.9	0	0	0	0	105.3	M1 A5 I21 C23	M1-C3 PolarHBondContact O-N 3.18Å; C3-A5 PolarHBondContact O-N 2.77Å; C3-I21 PolarHBondContact SG-O 3.29Å; C3-C23 WeakPolarHBondContact CB-SG 3.46Å; C3-C23 WeakPolarHBondContact SG-CB 3.02Å; C3-C23 PolarHBondContact SG-N 3.3Å; C3-C23 CovalentContact SG-SG 2.05Å; C3-C23 PolarHBondContact SG-SG 3.09Å
4	N	40.7	Very low	37	Very low	64 Å²	64	125.6 Å²	125.6	34%	0.342	70%	0.701	S	S	.	*			trans	-72.8	115.1	-168.8	-99	-8.3	0	0	0	110.3	R2 M6	R2-N4 VanDerWaalsContact CB-OD1 3.3Å; R2-N4 WeakPolarHBondContact CB-OD1 3.29Å; R2-N4 WeakPolarHBondContact CD-OD1 3.02Å; R2-N4 PolarHBondContact O-N 2.77Å; N4-M6 VanDerWaalsContact C-N 3.27Å; N4-M6 HydrophobicContact CB-CG 3.89Å; N4-M6 PolarHBondContact O-N 2.88Å; N4-M6 VanDerWaalsContact O-N 3.13Å
5	A	35.3	Very low	37.6	Very low	69 Å²	69	126.3 Å²	126.3	57%	0.57	71%	0.709	S	S	*	*			trans	-57.6	98.8	133.1	0	0	0	0	0	107	C3 T7	C3-A5 PolarHBondContact O-N 2.77Å; A5-T7 VanDerWaalsContact C-N 3.34Å; A5-T7 PolarHBondContact O-N 3.13Å; A5-T7 VanDerWaalsContact O-N 3.15Å
6	M	33.4	Very low	37.7	Very low	160 Å²	160	128.7 Å²	128.7	79%	0.788	72%	0.715	S	S	*	*			trans	-77.7	92.6	167.5	-74	-168.4	87.3	0	0	107.4	N4	N4-M6 VanDerWaalsContact C-N 3.27Å; N4-M6 HydrophobicContact CB-CG 3.89Å; N4-M6 PolarHBondContact O-N 2.88Å; N4-M6 VanDerWaalsContact O-N 3.13Å
7	T	31	Very low	38.1	Very low	129 Å²	129	129.8 Å²	129.8	79%	0.791	72%	0.719	S	S	*	*			trans	-71.9	127.2	157.5	46.6	0	0	0	0	108.2	A5	A5-T7 VanDerWaalsContact C-N 3.34Å; A5-T7 PolarHBondContact O-N 3.13Å; A5-T7 VanDerWaalsContact O-N 3.15Å
8	S	31.5	Very low	38.4	Very low	111 Å²	111	135.2 Å²	135.2	78%	0.776	73%	0.726	S	S	*	*			trans	-11.6	121.8	168.3	-65.6	0	0	0	0	116.2
9	L	32.9	Very low	38.7	Very low	156 Å²	156	139.5 Å²	139.5	82%	0.817	73%	0.731	S	S	*	*				-170.3	116	126.6	-120.7	78.5	0	0	0	109.3
10	L	33.6	Very low	39.2	Very low	139 Å²	139	137.2 Å²	137.2	73%	0.728	72%	0.723	S	S	*	*			trans	70.1	123.6	146.2	-68.7	154.2	0	0	0	121.4
11	L	37.8	Very low	39.9	Very low	146 Å²	146	136 Å²	136	76%	0.764	72%	0.716	S	S	*	*			trans	76.7	96.6	139.7	-74.8	152.6	0	0	0	120.1
12	V	36.9	Very low	41	Very low	130 Å²	130	136.3 Å²	136.3	79%	0.788	71%	0.705	S	S	*	*				49.9	117.4	120.6	-176.4	0	0	0	0	118.6
13	A	44.3	Very low	42.5	Very low	80 Å²	80	127.6 Å²	127.6	66%	0.661	68%	0.677	S	S	*	*			trans	84.6	43.9	146.2	0	0	0	0	0	121.4
14	T	42.3	Very low	44.1	Very low	121 Å²	121	132.3 Å²	132.3	74%	0.742	69%	0.694	S	S	*	*			trans	-135.2	75.1	143.8	48.7	0	0	0	0	111	M16	T14-M16 PolarHBondContact O-N 3.45Å
15	V	45.2	Very low	46.6	Very low	135 Å²	135	131.6 Å²	131.6	82%	0.818	69%	0.694	S	S	*	*			trans	-78.6	13.3	-176.7	176	0	0	0	0	113.3
16	M	38.9	Very low	49.3	Very low	165 Å²	165	129.2 Å²	129.2	81%	0.813	67%	0.673	S	S	*	*	S	Bend	trans	-126.3	112	178.9	-69.3	-70.2	178.3	0	0	111.2	T14	T14-M16 PolarHBondContact O-N 3.45Å
17	L	44.6	Very low	52.1	Low	148 Å²	148	127.7 Å²	127.7	78%	0.775	67%	0.672	S	S	*	*			trans	92.5	23.2	155.6	-117.5	82.9	0	0	0	121.5	R19	L17-R19 PolarHBondContact O-N 3.38Å; L17-R19 VanDerWaalsContact O-N 3.09Å
18	W	44.2	Very low	55	Low	226 Å²	226	124.2 Å²	124.2	86%	0.856	66%	0.662	S	S	*	*			trans	-79.9	85.9	148.6	-72.2	63.1	0	0	0	107.1	V20	W18-V20 PolarHBondContact O-N 2.99Å
19	R	43.3	Very low	58.1	Low	218 Å²	218	119.8 Å²	119.8	82%	0.823	63%	0.631	S	S	*	*			trans	-57	96.8	162.8	-75.8	-172.8	174.6	-163.2	-0.5	106	L17 I21	L17-R19 PolarHBondContact O-N 3.38Å; L17-R19 VanDerWaalsContact O-N 3.09Å; R19-I21 VanDerWaalsContact C-N 3.33Å; R19-I21 PolarHBondContact O-N 2.04Å
20	V	49.7	Very low	61.2	Low	92 Å²	92	119.4 Å²	119.4	56%	0.558	63%	0.625	S	S	*	*			trans	-53	107.8	163.8	179.2	0	0	0	0	104.2	W18 R22	W18-V20 PolarHBondContact O-N 2.99Å; V20-R22 PolarHBondContact O-N 3.25Å
21	I	52.8	Low	64.1	Low	112 Å²	112	114.4 Å²	114.4	57%	0.574	60%	0.601	S	S	*	*			trans	-61.8	97.7	171	-63.1	171.9	0	0	0	103.9	C3 R19 C23	C3-I21 PolarHBondContact SG-O 3.29Å; R19-I21 VanDerWaalsContact C-N 3.33Å; R19-I21 PolarHBondContact O-N 2.04Å; I21-C23 PolarHBondContact O-N 2.05Å
22	R	59.3	Low	66.9	Low	221 Å²	221	110.6 Å²	110.6	83%	0.834	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-67	122.6	172.3	-70.4	-173	177.8	-150	-0.1	105.3	V20 F24	V20-R22 PolarHBondContact O-N 3.25Å; R22-F24 PolarHBondContact O-N 2.9Å
23	C	65.2	Low	69.5	Low	30 Å²	30	108.7 Å²	108.7	20%	0.203	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-50.4	131	168.8	-71.3	0	0	0	0	108.3	C3 I21 N53	C3-C23 WeakPolarHBondContact CB-SG 3.46Å; C3-C23 WeakPolarHBondContact SG-CB 3.02Å; C3-C23 PolarHBondContact SG-N 3.3Å; C3-C23 CovalentContact SG-SG 2.05Å; C3-C23 PolarHBondContact SG-SG 3.09Å; I21-C23 PolarHBondContact O-N 2.05Å; C23-N53 HydrophobicContact CB-CB 4.28Å; C23-N53 WeakPolarHBondContact SG-CA 3.34Å; C23-N53 VanDerWaalsContact SG-CB 3.54Å
24	F	83.7	Confident	71.8	Confident	126 Å²	126	112.2 Å²	112.2	55%	0.553	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-87.8	122.4	-177.4	-174	-102.7	0	0	0	108.3	R22 P26 L51	R22-F24 PolarHBondContact O-N 2.9Å; F24-P26 HydrophobicContact CD1-CG 4.49Å; F24-P26 HydrophobicContact CE1-CB 4.43Å; F24-P26 WeakPolarHBondContact O-CD 3.23Å; F24-L51 HydrophobicContact CB-CB 4.29Å; F24-L51 PolarHBondContact N-O 3.44Å; F24-L51 VanDerWaalsContact N-O 3.15Å
25	C	91.9	Very high	74.4	Confident	50 Å²	50	110.1 Å²	110.1	34%	0.338	56%	0.559	S	S	.	*			trans	-89	115.1	167.5	-165.3	0	0	0	0	107.8	C29 C31	C25-C29 PolarHBondContact SG-O 3.09Å; C25-C31 WeakPolarHBondContact CA-SG 3.42Å; C25-C31 HydrophobicContact CB-CB 3.75Å; C25-C31 WeakPolarHBondContact CB-SG 3.49Å; C25-C31 WeakPolarHBondContact SG-CB 3.41Å; C25-C31 PolarHBondContact SG-N 3.36Å; C25-C31 VanDerWaalsContact SG-N 3.36Å; C25-C31 CovalentContact SG-SG 2.04Å; C25-C31 PolarHBondContact SG-SG 3.15Å
26	P	92.3	Very high	76.8	Confident	19 Å²	19	105.4 Å²	105.4	12%	0.123	53%	0.529	C	S	.	.			trans	-60.9	153.6	-178.7	-19.3	29.7	0	0	0	112.4	F24 G28 C29 P49 L52	F24-P26 HydrophobicContact CD1-CG 4.49Å; F24-P26 HydrophobicContact CE1-CB 4.43Å; F24-P26 WeakPolarHBondContact O-CD 3.23Å; P26-G28 PolarHBondContact O-N 2.89Å; P26-C29 HydrophobicContact CB-CB 4.49Å; P26-C29 VanDerWaalsContact O-CB 3.29Å; P26-C29 WeakPolarHBondContact O-CB 3.31Å; P26-C29 PolarHBondContact O-N 3.31Å; P26-P49 HydrophobicContact CG-CB 3.84Å; P26-P49 HydrophobicContact CG-CG 3.98Å; P26-L52 VanDerWaalsContact CD-CD2 3.5Å; P26-L52 HydrophobicContact CG-CD2 4.14Å
27	T	91.7	Very high	79.6	Confident	128 Å²	128	100 Å²	100	79%	0.785	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	133.3	173.3	-53.2	0	0	0	0	110.2	C29	T27-C29 VanDerWaalsContact C-N 3.26Å; T27-C29 PolarHBondContact O-N 3.36Å
28	G	93.6	Very high	82.2	Confident	56 Å²	56	93.1 Å²	93.1	58%	0.577	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-8	-176.5	0	0	0	0	0	114.6	P26	P26-G28 PolarHBondContact O-N 2.89Å
29	C	97	Very high	84.8	Confident	18 Å²	18	85.6 Å²	85.6	12%	0.122	45%	0.446	C	S	.	.			trans	-94	151.6	174.4	-58.4	0	0	0	0	112.6	C25 P26 T27 N39 C40	C25-C29 PolarHBondContact SG-O 3.09Å; P26-C29 HydrophobicContact CB-CB 4.49Å; P26-C29 VanDerWaalsContact O-CB 3.29Å; P26-C29 WeakPolarHBondContact O-CB 3.31Å; P26-C29 PolarHBondContact O-N 3.31Å; T27-C29 VanDerWaalsContact C-N 3.26Å; T27-C29 PolarHBondContact O-N 3.36Å; C29-N39 CarbonylContact C-O 3.47Å; C29-N39 VanDerWaalsContact CA-O 3.22Å; C29-N39 WeakPolarHBondContact CA-O 3.37Å; C29-C40 HydrophobicContact CB-CB 4.06Å; C29-C40 WeakPolarHBondContact CB-SG 3.39Å; C29-C40 WeakPolarHBondContact SG-CB 3.38Å; C29-C40 CovalentContact SG-SG 2.03Å; C29-C40 PolarHBondContact SG-SG 2.51Å
30	Q	96.6	Very high	87.4	Confident	147 Å²	147	75.2 Å²	75.2	69%	0.687	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	115.4	167.2	-60.6	178.7	19.2	0	0	108.6	V38 N39	Q30-V38 WeakPolarHBondContact O-CA 3.03Å; Q30-N39 PolarHBondContact N-O 2.77Å; Q30-N39 PolarHBondContact O-N 2.86Å
31	C	95.8	Very high	89.7	Confident	35 Å²	35	72.5 Å²	72.5	24%	0.236	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.6	-178.1	-49.6	0	0	0	0	110.3	C25 V38	C25-C31 WeakPolarHBondContact CA-SG 3.42Å; C25-C31 HydrophobicContact CB-CB 3.75Å; C25-C31 WeakPolarHBondContact CB-SG 3.49Å; C25-C31 WeakPolarHBondContact SG-CB 3.41Å; C25-C31 PolarHBondContact SG-N 3.36Å; C25-C31 VanDerWaalsContact SG-N 3.36Å; C25-C31 CovalentContact SG-SG 2.04Å; C25-C31 PolarHBondContact SG-SG 3.15Å; C31-V38 HydrophobicContact CB-CG2 4.18Å
32	N	95	Very high	91.9	Very high	66 Å²	66	75.7 Å²	75.7	35%	0.353	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.7	178.1	-174.2	-29.9	0	0	0	110.2	D34 T35 L36 T37	N32-D34 WeakPolarHBondContact OD1-CB 2.97Å; N32-D34 PolarHBondContact OD1-N 2.03Å; N32-T35 VanDerWaalsContact CB-OG1 3.28Å; N32-T35 WeakPolarHBondContact CB-OG1 3.46Å; N32-T35 PolarHBondContact ND2-OG1 2.78Å; N32-T35 PolarHBondContact OD1-N 3.24Å; N32-T35 VanDerWaalsContact OD1-N 3.09Å; N32-T35 PolarHBondContact OD1-OG1 3.15Å; N32-L36 WeakPolarHBondContact O-CA 3.22Å; N32-L36 PolarHBondContact O-N 2.95Å; N32-L36 VanDerWaalsContact O-N 3.08Å; N32-T37 PolarHBondContact N-O 2.89Å; N32-T37 PolarHBondContact O-N 2.97Å; N32-T37 VanDerWaalsContact O-N 3.14Å
33	Q	91.2	Very high	93.7	Very high	89 Å²	89	66.4 Å²	66.4	42%	0.416	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-24.3	-177.6	-60.8	-58.7	-35.4	0	0	113.2	L36 N53	Q33-L36 WeakPolarHBondContact O-CD2 3.39Å; Q33-N53 PolarHBondContact OE1-ND2 3.19Å
34	D	93.5	Very high	95.2	Very high	155 Å²	155	67.5 Å²	67.5	83%	0.829	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-44.5	-179.2	-59.5	-39.5	0	0	0	110.7	N32 L36	N32-D34 WeakPolarHBondContact OD1-CB 2.97Å; N32-D34 PolarHBondContact OD1-N 2.03Å; D34-L36 VanDerWaalsContact C-N 3.34Å
35	T	96.5	Very high	95.8	Very high	77 Å²	77	62.9 Å²	62.9	47%	0.472	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.6	176.9	58.7	0	0	0	0	113.2	N32 T37	N32-T35 VanDerWaalsContact CB-OG1 3.28Å; N32-T35 WeakPolarHBondContact CB-OG1 3.46Å; N32-T35 PolarHBondContact ND2-OG1 2.78Å; N32-T35 PolarHBondContact OD1-N 3.24Å; N32-T35 VanDerWaalsContact OD1-N 3.09Å; N32-T35 PolarHBondContact OD1-OG1 3.15Å; T35-T37 VanDerWaalsContact C-N 3.26Å; T35-T37 WeakPolarHBondContact O-CG2 3.46Å; T35-T37 PolarHBondContact O-N 3.49Å; T35-T37 PolarHBondContact OG1-OG1 3.45Å
36	L	97.1	Very high	96	Very high	36 Å²	36	64.6 Å²	64.6	19%	0.188	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	41	-175.9	-59.4	172.5	0	0	0	112.2	N32 Q33 D34 R55 I56 R57 S58	N32-L36 WeakPolarHBondContact O-CA 3.22Å; N32-L36 PolarHBondContact O-N 2.95Å; N32-L36 VanDerWaalsContact O-N 3.08Å; Q33-L36 WeakPolarHBondContact O-CD2 3.39Å; D34-L36 VanDerWaalsContact C-N 3.34Å; L36-R55 HydrophobicContact CD2-CB 4.31Å; L36-I56 CarbonylContact O-C 3.6Å; L36-I56 WeakPolarHBondContact O-CA 3.43Å; L36-R57 HydrophobicContact CB-CG 4.26Å; L36-R57 HydrophobicContact CD1-CG 4.32Å; L36-R57 PolarHBondContact O-N 2.9Å; L36-S58 PolarHBondContact O-N 3.01Å
37	T	97.8	Very high	96.2	Very high	51 Å²	51	66 Å²	66	31%	0.313	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.8	-178.4	62.1	0	0	0	0	111.7	N32 T35 S58	N32-T37 PolarHBondContact N-O 2.89Å; N32-T37 PolarHBondContact O-N 2.97Å; N32-T37 VanDerWaalsContact O-N 3.14Å; T35-T37 VanDerWaalsContact C-N 3.26Å; T35-T37 WeakPolarHBondContact O-CG2 3.46Å; T35-T37 PolarHBondContact O-N 3.49Å; T35-T37 PolarHBondContact OG1-OG1 3.45Å; T37-S58 WeakPolarHBondContact CA-O 3.03Å
38	V	97.9	Very high	96.3	Very high	4 Å²	4	60 Å²	60	2%	0.024	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.6	175.4	178.8	0	0	0	0	109	Q30 C31 L52 I56 S58 L59 T60	Q30-V38 WeakPolarHBondContact O-CA 3.03Å; C31-V38 HydrophobicContact CB-CG2 4.18Å; V38-L52 HydrophobicContact CB-CD1 4.47Å; V38-L52 HydrophobicContact CG1-CD1 3.97Å; V38-L52 HydrophobicContact CG1-CD2 4Å; V38-L52 HydrophobicContact CG2-CD1 4.42Å; V38-L52 HydrophobicContact CG2-CD2 4.35Å; V38-I56 HydrophobicContact CG2-CB 4.5Å; V38-I56 HydrophobicContact CG2-CD1 4.27Å; V38-I56 HydrophobicContact CG2-CG2 3.66Å; V38-S58 PolarHBondContact N-O 3.45Å; V38-L59 HydrophobicContact CB-CD1 3.81Å; V38-L59 HydrophobicContact CG1-CD1 3.77Å; V38-L59 WeakPolarHBondContact O-CA 3.3Å; V38-T60 PolarHBondContact O-N 3.26Å
39	N	98.2	Very high	96.3	Very high	67 Å²	67	58.3 Å²	58.3	36%	0.358	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112.9	173.4	-175.4	-19	0	0	0	109.4	C29 Q30 S41	C29-N39 CarbonylContact C-O 3.47Å; C29-N39 VanDerWaalsContact CA-O 3.22Å; C29-N39 WeakPolarHBondContact CA-O 3.37Å; Q30-N39 PolarHBondContact N-O 2.77Å; Q30-N39 PolarHBondContact O-N 2.86Å; N39-S41 WeakPolarHBondContact OD1-CB 3.5Å; N39-S41 PolarHBondContact OD1-N 3.38Å; N39-S41 PolarHBondContact OD1-OG 2.93Å
40	C	98.1	Very high	95.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.345	C	S	.	.			trans	-117.9	30	175.1	-63	0	0	0	0	111.3	C29 R42 A43 L45 T60 L61 N64	C29-C40 HydrophobicContact CB-CB 4.06Å; C29-C40 WeakPolarHBondContact CB-SG 3.39Å; C29-C40 WeakPolarHBondContact SG-CB 3.38Å; C29-C40 CovalentContact SG-SG 2.03Å; C29-C40 PolarHBondContact SG-SG 2.51Å; C40-R42 PolarHBondContact O-N 3.31Å; C40-A43 HydrophobicContact CB-CB 4.3Å; C40-A43 WeakPolarHBondContact O-CB 3.46Å; C40-A43 PolarHBondContact O-N 3.38Å; C40-L45 HydrophobicContact CB-CD1 3.65Å; C40-T60 CarbonylContact C-O 3.58Å; C40-T60 WeakPolarHBondContact CA-O 3.35Å; C40-T60 PolarHBondContact N-O 3.45Å; C40-L61 HydrophobicContact CB-CD2 3.82Å; C40-N64 PolarHBondContact O-ND2 3.3Å
41	S	98.4	Very high	95.4	Very high	35 Å²	35	60.4 Å²	60.4	25%	0.245	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	136.8	176.6	-67.5	0	0	0	0	110.7	N39 A43 T60 S62	N39-S41 WeakPolarHBondContact OD1-CB 3.5Å; N39-S41 PolarHBondContact OD1-N 3.38Å; N39-S41 PolarHBondContact OD1-OG 2.93Å; S41-A43 PolarHBondContact O-N 3.4Å; S41-T60 VanDerWaalsContact OG-CG2 3.23Å; S41-T60 WeakPolarHBondContact OG-CG2 3.43Å; S41-S62 CarbonylContact C-O 3.49Å; S41-S62 WeakPolarHBondContact CA-O 3.17Å; S41-S62 PolarHBondContact OG-OG 3.44Å
42	R	98.3	Very high	95.3	Very high	179 Å²	179	59.2 Å²	59.2	68%	0.675	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	27.7	176.5	-55	175.3	-178.7	-87.4	-5.6	114.3	C40 G44 S62 H63	C40-R42 PolarHBondContact O-N 3.31Å; R42-G44 VanDerWaalsContact C-N 3.3Å; R42-S62 PolarHBondContact N-O 2.83Å; R42-H63 VanDerWaalsContact CA-O 3.31Å; R42-H63 WeakPolarHBondContact CA-O 3.28Å; R42-H63 HydrophobicContact CG-CB 3.47Å; R42-H63 VanDerWaalsContact CG-CB 3.47Å; R42-H63 PolarHBondContact NH2-CE1 3.14Å; R42-H63 PolarHBondContact NH2-NE2 3.37Å
43	A	97.4	Very high	95.2	Very high	26 Å²	26	56.7 Å²	56.7	22%	0.215	32%	0.321	C	S	.	.	S	Bend	trans	-85.5	0.4	179.6	0	0	0	0	0	113.7	C40 S41 L45 N64	C40-A43 HydrophobicContact CB-CB 4.3Å; C40-A43 WeakPolarHBondContact O-CB 3.46Å; C40-A43 PolarHBondContact O-N 3.38Å; S41-A43 PolarHBondContact O-N 3.4Å; A43-L45 VanDerWaalsContact C-N 3.3Å; A43-L45 HydrophobicContact CB-CD1 4.23Å; A43-L45 HydrophobicContact CB-CD2 4.41Å; A43-L45 HydrophobicContact CB-CG 3.9Å; A43-L45 PolarHBondContact O-N 2.83Å; A43-N64 PolarHBondContact N-OD1 3Å
44	G	97.1	Very high	95.3	Very high	54 Å²	54	54.8 Å²	54.8	56%	0.557	32%	0.316	S	S	*	.			trans	72.2	23.3	-179.4	0	0	0	0	0	113.5	R42 N64	R42-G44 VanDerWaalsContact C-N 3.3Å; G44-N64 PolarHBondContact N-OD1 2.98Å
45	L	96.8	Very high	95.3	Very high	28 Å²	28	52.9 Å²	52.9	15%	0.147	30%	0.297	C	S	.	.			trans	-71.9	135.4	-175.9	-59.9	174.8	0	0	0	111.4	C40 A43 P49 L61 N64 I65 I66	C40-L45 HydrophobicContact CB-CD1 3.65Å; A43-L45 VanDerWaalsContact C-N 3.3Å; A43-L45 HydrophobicContact CB-CD1 4.23Å; A43-L45 HydrophobicContact CB-CD2 4.41Å; A43-L45 HydrophobicContact CB-CG 3.9Å; A43-L45 PolarHBondContact O-N 2.83Å; L45-P49 HydrophobicContact CD1-CG 3.84Å; L45-P49 HydrophobicContact CD2-CG 4.4Å; L45-L61 HydrophobicContact CD1-CD2 3.99Å; L45-N64 HydrophobicContact CB-CB 4.15Å; L45-N64 PolarHBondContact N-OD1 3.02Å; L45-N64 WeakPolarHBondContact O-CB 3.35Å; L45-I65 CarbonylContact O-C 3.49Å; L45-I65 WeakPolarHBondContact O-CG1 3.03Å; L45-I65 PolarHBondContact O-N 3.08Å; L45-I66 PolarHBondContact O-N 3.31Å
46	S	96.3	Very high	95.3	Very high	86 Å²	86	49.2 Å²	49.2	60%	0.601	28%	0.275	S	S	*	.	S	Bend	trans	-97.5	-12	172.9	56.9	0	0	0	0	113.8
47	S	95.3	Very high	95.3	Very high	50 Å²	50	53.3 Å²	53.3	35%	0.35	29%	0.288	S	S	.	.	S	Bend	trans	-151	170.2	177.4	64.3	0	0	0	0	111.1	P49 E73	S47-P49 WeakPolarHBondContact O-CD 3.35Å; S47-E73 WeakPolarHBondContact CB-OE1 3.42Å
48	V	95.4	Very high	95.4	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	28%	0.282	C	S	.	.			trans	-73.3	125.7	175.9	179.1	0	0	0	0	108.8	I50 L59 L61 I66 E73 L74 Y77 M85	V48-I50 PolarHBondContact O-N 3.04Å; V48-L59 HydrophobicContact CG1-CD2 4.34Å; V48-L61 HydrophobicContact CB-CD1 4.24Å; V48-L61 HydrophobicContact CG1-CD1 4.01Å; V48-L61 HydrophobicContact CG2-CD1 3.74Å; V48-I66 HydrophobicContact CG2-CD1 4.43Å; V48-E73 HydrophobicContact CB-CB 3.86Å; V48-E73 VanDerWaalsContact CB-OE2 3.3Å; V48-E73 WeakPolarHBondContact CB-OE2 3.36Å; V48-E73 HydrophobicContact CG1-CB 4.35Å; V48-E73 PolarHBondContact N-OE2 3.37Å; V48-L74 HydrophobicContact CG1-CD2 4.02Å; V48-L74 HydrophobicContact CG2-CD2 4.29Å; V48-L74 HydrophobicContact CG2-CG 4.43Å; V48-Y77 HydrophobicContact CG1-CE2 4.16Å; V48-M85 HydrophobicContact CG2-SD 4.43Å
49	P	93.3	Very high	95.4	Very high	19 Å²	19	52 Å²	52	12%	0.123	28%	0.281	C	S	.	.			trans	-61.1	136.9	176.3	-21.1	32.4	0	0	0	110.7	P26 L45 S47 L52 Y77	P26-P49 HydrophobicContact CG-CB 3.84Å; P26-P49 HydrophobicContact CG-CG 3.98Å; L45-P49 HydrophobicContact CD1-CG 3.84Å; L45-P49 HydrophobicContact CD2-CG 4.4Å; S47-P49 WeakPolarHBondContact O-CD 3.35Å; P49-L52 HydrophobicContact CB-CD1 4.25Å; P49-L52 HydrophobicContact CB-CG 4.21Å; P49-Y77 WeakPolarHBondContact O-CE2 3.49Å; P49-Y77 PolarHBondContact O-OH 3.4Å
50	I	88.2	Confident	95.4	Very high	88 Å²	88	49.8 Å²	49.8	45%	0.451	27%	0.27	S	S	.	.	S	Bend	trans	-103	-2.9	-176.8	61.6	172.4	0	0	0	115	V48 E73 F76 Y77	V48-I50 PolarHBondContact O-N 3.04Å; I50-E73 HydrophobicContact CG2-CB 4.01Å; I50-E73 HydrophobicContact CG2-CG 3.98Å; I50-F76 HydrophobicContact CB-CD2 4.32Å; I50-F76 HydrophobicContact CB-CE2 4.38Å; I50-F76 HydrophobicContact CG2-CD2 4.3Å; I50-F76 HydrophobicContact CG2-CE2 4.34Å; I50-Y77 VanDerWaalsContact C-OH 3.31Å; I50-Y77 WeakPolarHBondContact CA-OH 3.27Å
51	L	86.6	Confident	95.4	Very high	122 Å²	122	49.8 Å²	49.8	64%	0.639	27%	0.27	S	S	*	.	S	Bend	trans	-110.9	18.2	-174	-62.4	178.9	0	0	0	114	F24	F24-L51 HydrophobicContact CB-CB 4.29Å; F24-L51 PolarHBondContact N-O 3.44Å; F24-L51 VanDerWaalsContact N-O 3.15Å
52	L	92.4	Very high	95.5	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.047	26%	0.262	C	S	.	.	S	Bend	trans	-73.8	170.9	173.5	-57	169	0	0	0	110.5	P26 V38 P49 P54 I56 L59 Y77	P26-L52 VanDerWaalsContact CD-CD2 3.5Å; P26-L52 HydrophobicContact CG-CD2 4.14Å; V38-L52 HydrophobicContact CB-CD1 4.47Å; V38-L52 HydrophobicContact CG1-CD1 3.97Å; V38-L52 HydrophobicContact CG1-CD2 4Å; V38-L52 HydrophobicContact CG2-CD1 4.42Å; V38-L52 HydrophobicContact CG2-CD2 4.35Å; P49-L52 HydrophobicContact CB-CD1 4.25Å; P49-L52 HydrophobicContact CB-CG 4.21Å; L52-P54 WeakPolarHBondContact O-CD 3.23Å; L52-I56 HydrophobicContact CB-CD1 4.33Å; L52-I56 HydrophobicContact CD1-CD1 4.1Å; L52-L59 HydrophobicContact CD1-CD1 3.82Å; L52-Y77 HydrophobicContact CB-CE1 3.71Å; L52-Y77 WeakPolarHBondContact CB-OH 3.06Å; L52-Y77 PolarHBondContact N-OH 2.62Å
53	N	92.7	Very high	95.5	Very high	13 Å²	13	43.9 Å²	43.9	7%	0.07	25%	0.247	C	C	.	.			trans	-61.4	121.5	172.3	178.9	-7.3	0	0	0	109.9	C23 Q33 R55 I56	C23-N53 HydrophobicContact CB-CB 4.28Å; C23-N53 WeakPolarHBondContact SG-CA 3.34Å; C23-N53 VanDerWaalsContact SG-CB 3.54Å; Q33-N53 PolarHBondContact OE1-ND2 3.19Å; N53-R55 PolarHBondContact O-N 3.14Å; N53-R55 WeakPolarHBondContact OD1-CB 3.16Å; N53-R55 PolarHBondContact OD1-N 2.79Å; N53-I56 HydrophobicContact CB-CG2 4.06Å; N53-I56 WeakPolarHBondContact O-CG1 3.43Å; N53-I56 VanDerWaalsContact O-CG2 3.24Å; N53-I56 WeakPolarHBondContact O-CG2 3.24Å; N53-I56 PolarHBondContact O-N 2.77Å; N53-I56 VanDerWaalsContact O-N 3.16Å
54	P	93.2	Very high	95.5	Very high	50 Å²	50	43 Å²	43	33%	0.325	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.1	-178.4	26.7	-35.5	0	0	0	114	L52	L52-P54 WeakPolarHBondContact O-CD 3.23Å
55	R	94.5	Very high	95.6	Very high	114 Å²	114	44.1 Å²	44.1	43%	0.43	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	3.3	177.3	-55.8	-173.4	-168.5	171.3	4.5	114.2	L36 N53 R57	L36-R55 HydrophobicContact CD2-CB 4.31Å; N53-R55 PolarHBondContact O-N 3.14Å; N53-R55 WeakPolarHBondContact OD1-CB 3.16Å; N53-R55 PolarHBondContact OD1-N 2.79Å; R55-R57 PolarHBondContact O-N 2.9Å
56	I	96.3	Very high	95.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.224	C	C	.	.			trans	-57.5	141.1	179.3	59.4	175.8	0	0	0	110.7	L36 V38 L52 N53 L59 Y77 E79 L80	L36-I56 CarbonylContact O-C 3.6Å; L36-I56 WeakPolarHBondContact O-CA 3.43Å; V38-I56 HydrophobicContact CG2-CB 4.5Å; V38-I56 HydrophobicContact CG2-CD1 4.27Å; V38-I56 HydrophobicContact CG2-CG2 3.66Å; L52-I56 HydrophobicContact CB-CD1 4.33Å; L52-I56 HydrophobicContact CD1-CD1 4.1Å; N53-I56 HydrophobicContact CB-CG2 4.06Å; N53-I56 WeakPolarHBondContact O-CG1 3.43Å; N53-I56 VanDerWaalsContact O-CG2 3.24Å; N53-I56 WeakPolarHBondContact O-CG2 3.24Å; N53-I56 PolarHBondContact O-N 2.77Å; N53-I56 VanDerWaalsContact O-N 3.16Å; I56-L59 HydrophobicContact CD1-CB 4.13Å; I56-L59 HydrophobicContact CD1-CD1 4.34Å; I56-L59 HydrophobicContact CD1-CD2 4.32Å; I56-Y77 HydrophobicContact CD1-CD1 3.73Å; I56-Y77 HydrophobicContact CD1-CE1 4.04Å; I56-Y77 HydrophobicContact CD1-CG 4.06Å; I56-Y77 HydrophobicContact CG1-CD1 3.82Å; I56-Y77 HydrophobicContact CG1-CE1 4.47Å; I56-Y77 HydrophobicContact CG1-CG 4.26Å; I56-E79 CarbonylContact O-C 3.57Å; I56-L80 HydrophobicContact CD1-CD2 4.18Å; I56-L80 HydrophobicContact CG1-CD2 3.95Å; I56-L80 HydrophobicContact CG1-CG 4.47Å; I56-L80 PolarHBondContact O-N 2.89Å
57	R	98.3	Very high	95.7	Very high	122 Å²	122	41 Å²	41	46%	0.46	21%	0.214	S	C	.	.	S	Bend	trans	-105.7	-22.4	178.3	-62.8	-173.6	-177.8	-163.2	8.2	112.5	L36 R55 E81 Y82	L36-R57 HydrophobicContact CB-CG 4.26Å; L36-R57 HydrophobicContact CD1-CG 4.32Å; L36-R57 PolarHBondContact O-N 2.9Å; R55-R57 PolarHBondContact O-N 2.9Å; R57-E81 HydrophobicContact CB-CG 4.48Å; R57-E81 WeakPolarHBondContact CD-OE1 3.1Å; R57-E81 IonicContact CZ-OE1 3.93Å; R57-E81 IonicContact NE-OE1 3.91Å; R57-E81 IonicContact NH1-OE1 2.62Å; R57-E81 PolarHBondContact NH1-OE1 3.49Å; R57-E81 WeakPolarHBondContact O-CA 3.39Å; R57-E81 PolarHBondContact O-N 2.87Å; R57-Y82 PolarHBondContact O-N 3.16Å
58	S	98.7	Very high	95.7	Very high	27 Å²	27	43.2 Å²	43.2	19%	0.189	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.4	178	-177.8	0	0	0	0	110.4	L36 T37 V38 Y82	L36-S58 PolarHBondContact O-N 3.01Å; T37-S58 WeakPolarHBondContact CA-O 3.03Å; V38-S58 PolarHBondContact N-O 3.45Å; S58-Y82 WeakPolarHBondContact CA-O 3.38Å; S58-Y82 WeakPolarHBondContact OG-CD1 3.09Å
59	L	98.3	Very high	95.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.7	175.4	179.2	59.2	0	0	0	109.6	V38 V48 L52 I56 L61 Y77 L80 Y82 L83 D84	V38-L59 HydrophobicContact CB-CD1 3.81Å; V38-L59 HydrophobicContact CG1-CD1 3.77Å; V38-L59 WeakPolarHBondContact O-CA 3.3Å; V48-L59 HydrophobicContact CG1-CD2 4.34Å; L52-L59 HydrophobicContact CD1-CD1 3.82Å; I56-L59 HydrophobicContact CD1-CB 4.13Å; I56-L59 HydrophobicContact CD1-CD1 4.34Å; I56-L59 HydrophobicContact CD1-CD2 4.32Å; L59-L61 HydrophobicContact CD1-CD2 3.78Å; L59-L61 HydrophobicContact CD1-CG 4.18Å; L59-L61 HydrophobicContact CD2-CD1 4.05Å; L59-L61 HydrophobicContact CD2-CD2 4.42Å; L59-L61 HydrophobicContact CD2-CG 4.24Å; L59-L61 HydrophobicContact CG-CD1 4.28Å; L59-L61 HydrophobicContact CG-CD2 4.09Å; L59-L61 HydrophobicContact CG-CG 3.92Å; L59-Y77 HydrophobicContact CD2-CD2 4.39Å; L59-Y77 HydrophobicContact CD2-CE2 4.48Å; L59-L80 HydrophobicContact CB-CD1 4.44Å; L59-L80 HydrophobicContact CB-CD2 3.7Å; L59-L80 HydrophobicContact CD2-CD1 4.49Å; L59-Y82 PolarHBondContact N-O 3.13Å; L59-L83 HydrophobicContact CB-CD1 4.08Å; L59-L83 HydrophobicContact CD2-CD1 4.06Å; L59-L83 HydrophobicContact CG-CD1 4.09Å; L59-L83 WeakPolarHBondContact O-CA 3.47Å; L59-D84 PolarHBondContact O-N 3.04Å
60	T	98.6	Very high	95.8	Very high	21 Å²	21	44 Å²	44	13%	0.129	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.6	173.9	-54.1	0	0	0	0	109.2	V38 C40 S41 D84	V38-T60 PolarHBondContact O-N 3.26Å; C40-T60 CarbonylContact C-O 3.58Å; C40-T60 WeakPolarHBondContact CA-O 3.35Å; C40-T60 PolarHBondContact N-O 3.45Å; S41-T60 VanDerWaalsContact OG-CG2 3.23Å; S41-T60 WeakPolarHBondContact OG-CG2 3.43Å; T60-D84 HydrophobicContact CG2-CB 4.14Å
61	L	98.5	Very high	95.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.			trans	-121.8	22.4	178.8	-56.9	177	0	0	0	111.1	C40 L45 V48 L59 N64 I66 D84 M85 N88	C40-L61 HydrophobicContact CB-CD2 3.82Å; L45-L61 HydrophobicContact CD1-CD2 3.99Å; V48-L61 HydrophobicContact CB-CD1 4.24Å; V48-L61 HydrophobicContact CG1-CD1 4.01Å; V48-L61 HydrophobicContact CG2-CD1 3.74Å; L59-L61 HydrophobicContact CD1-CD2 3.78Å; L59-L61 HydrophobicContact CD1-CG 4.18Å; L59-L61 HydrophobicContact CD2-CD1 4.05Å; L59-L61 HydrophobicContact CD2-CD2 4.42Å; L59-L61 HydrophobicContact CD2-CG 4.24Å; L59-L61 HydrophobicContact CG-CD1 4.28Å; L59-L61 HydrophobicContact CG-CD2 4.09Å; L59-L61 HydrophobicContact CG-CG 3.92Å; L61-N64 VanDerWaalsContact C-ND2 3.27Å; L61-N64 PolarHBondContact O-ND2 3.15Å; L61-I66 HydrophobicContact CB-CD1 4.13Å; L61-I66 HydrophobicContact CD1-CD1 3.99Å; L61-D84 WeakPolarHBondContact CA-O 3.25Å; L61-D84 PolarHBondContact N-O 2.84Å; L61-M85 HydrophobicContact CB-CG 4.27Å; L61-M85 HydrophobicContact CD1-CG 4.16Å; L61-M85 HydrophobicContact CD1-SD 4.25Å; L61-N88 PolarHBondContact O-ND2 2.85Å
62	S	98.7	Very high	95.8	Very high	10 Å²	10	41.9 Å²	41.9	7%	0.07	22%	0.219	C	C	.	.			trans	-67.3	154.7	-174.7	60.6	0	0	0	0	113.4	S41 R42 N64 S86	S41-S62 CarbonylContact C-O 3.49Å; S41-S62 WeakPolarHBondContact CA-O 3.17Å; S41-S62 PolarHBondContact OG-OG 3.44Å; R42-S62 PolarHBondContact N-O 2.83Å; S62-N64 VanDerWaalsContact C-N 3.33Å; S62-N64 PolarHBondContact O-N 3.36Å; S62-N64 PolarHBondContact O-ND2 3.43Å; S62-S86 CarbonylContact C-O 3.42Å; S62-S86 WeakPolarHBondContact CA-O 3.37Å; S62-S86 VanDerWaalsContact CB-O 3.32Å; S62-S86 WeakPolarHBondContact CB-O 3.48Å
63	H	98.7	Very high	95.5	Very high	79 Å²	79	43.3 Å²	43.3	37%	0.366	23%	0.225	S	C	.	.	S	Bend	trans	57.3	41.4	179.6	-58.4	-74.8	0	0	0	114	R42 S86 S87	R42-H63 VanDerWaalsContact CA-O 3.31Å; R42-H63 WeakPolarHBondContact CA-O 3.28Å; R42-H63 HydrophobicContact CG-CB 3.47Å; R42-H63 VanDerWaalsContact CG-CB 3.47Å; R42-H63 PolarHBondContact NH2-CE1 3.14Å; R42-H63 PolarHBondContact NH2-NE2 3.37Å; H63-S86 PolarHBondContact N-O 2.85Å; H63-S86 VanDerWaalsContact N-O 3.08Å; H63-S87 WeakPolarHBondContact CA-O 3.37Å; H63-S87 PolarHBondContact CE1-OG 3.38Å; H63-S87 PolarHBondContact N-O 3.43Å; H63-S87 VanDerWaalsContact ND1-CB 3.27Å; H63-S87 WeakPolarHBondContact ND1-CB 3.37Å
64	N	98.6	Very high	95.6	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.048	22%	0.222	C	C	.	.	S	Bend	trans	-110	-165.4	172.1	-76.7	-61.9	0	0	0	110.1	C40 A43 G44 L45 L61 S62 I66 N88	C40-N64 PolarHBondContact O-ND2 3.3Å; A43-N64 PolarHBondContact N-OD1 3Å; G44-N64 PolarHBondContact N-OD1 2.98Å; L45-N64 HydrophobicContact CB-CB 4.15Å; L45-N64 PolarHBondContact N-OD1 3.02Å; L45-N64 WeakPolarHBondContact O-CB 3.35Å; L61-N64 VanDerWaalsContact C-ND2 3.27Å; L61-N64 PolarHBondContact O-ND2 3.15Å; S62-N64 VanDerWaalsContact C-N 3.33Å; S62-N64 PolarHBondContact O-N 3.36Å; S62-N64 PolarHBondContact O-ND2 3.43Å; N64-I66 HydrophobicContact CB-CG1 4.29Å; N64-N88 VanDerWaalsContact CA-OD1 3.25Å; N64-N88 WeakPolarHBondContact CA-OD1 3.45Å; N64-N88 WeakPolarHBondContact CB-OD1 3.3Å; N64-N88 PolarHBondContact N-OD1 2.91Å; N64-N88 PolarHBondContact O-OD1 2.72Å
65	I	98.1	Very high	95.5	Very high	77 Å²	77	41 Å²	41	40%	0.395	21%	0.213	S	C	.	.			trans	-119.1	27.5	-179.8	59	169	0	0	0	111.8	L45 A67 N88	L45-I65 CarbonylContact O-C 3.49Å; L45-I65 WeakPolarHBondContact O-CG1 3.03Å; L45-I65 PolarHBondContact O-N 3.08Å; I65-A67 PolarHBondContact O-N 3.41Å; I65-N88 PolarHBondContact N-OD1 3.12Å
66	I	98.1	Very high	95.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.			trans	-64.3	128.5	177.7	-57.8	174.3	0	0	0	108.7	L45 V48 L61 N64 E68 N88 R89 I90	L45-I66 PolarHBondContact O-N 3.31Å; V48-I66 HydrophobicContact CG2-CD1 4.43Å; L61-I66 HydrophobicContact CB-CD1 4.13Å; L61-I66 HydrophobicContact CD1-CD1 3.99Å; N64-I66 HydrophobicContact CB-CG1 4.29Å; I66-E68 WeakPolarHBondContact CG2-O 3.36Å; I66-N88 HydrophobicContact CB-CB 4.35Å; I66-N88 WeakPolarHBondContact CB-OD1 3.45Å; I66-N88 PolarHBondContact N-OD1 2.95Å; I66-N88 VanDerWaalsContact N-OD1 3.15Å; I66-R89 CarbonylContact O-C 3.59Å; I66-R89 WeakPolarHBondContact O-CA 3.49Å; I66-R89 PolarHBondContact O-N 3.26Å; I66-I90 HydrophobicContact CG2-CG1 4.25Å; I66-I90 PolarHBondContact O-N 3.49Å; I66-I90 VanDerWaalsContact O-N 3.15Å
67	A	97.3	Very high	95.3	Very high	47 Å²	47	41.1 Å²	41.1	39%	0.388	22%	0.217	S	C	.	.			trans	-106.9	-20.9	-174.9	0	0	0	0	0	114.1	I65 R89 I90 Q91	I65-A67 PolarHBondContact O-N 3.41Å; A67-R89 WeakPolarHBondContact CA-O 3.04Å; A67-I90 WeakPolarHBondContact O-CA 3.36Å; A67-Q91 PolarHBondContact O-N 3.04Å
68	E	96	Very high	95.1	Very high	98 Å²	98	37.4 Å²	37.4	46%	0.458	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.1	-177.1	-178.3	172.6	-166.5	0	0	109.7	I66 T70	I66-E68 WeakPolarHBondContact CG2-O 3.36Å; E68-T70 HydrophobicContact CG-CG2 4.01Å
69	V	96.2	Very high	95.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.1	171.9	-174.3	0	0	0	0	109.1	L74 M85 I90 S92 I93 A94 A97 F98	V69-L74 HydrophobicContact CG1-CD1 3.39Å; V69-L74 HydrophobicContact CG1-CG 4.41Å; V69-M85 HydrophobicContact CG1-CE 4.05Å; V69-M85 HydrophobicContact CG2-CE 3.69Å; V69-M85 HydrophobicContact CG2-SD 4.25Å; V69-I90 HydrophobicContact CG2-CD1 3.75Å; V69-I90 HydrophobicContact CG2-CG1 4.25Å; V69-I90 HydrophobicContact CG2-CG2 3.93Å; V69-S92 PolarHBondContact N-O 3.16Å; V69-I93 HydrophobicContact CB-CB 4.49Å; V69-I93 HydrophobicContact CB-CG1 4.11Å; V69-I93 HydrophobicContact CB-CG2 4.32Å; V69-I93 HydrophobicContact CG2-CG1 4.14Å; V69-A94 WeakPolarHBondContact O-CB 3.4Å; V69-A94 PolarHBondContact O-N 3.15Å; V69-A97 HydrophobicContact CG1-CB 4.06Å; V69-F98 HydrophobicContact CG1-CE1 3.87Å; V69-F98 HydrophobicContact CG1-CZ 4.09Å
70	T	93.6	Very high	95.1	Very high	37 Å²	37	39.2 Å²	39.2	23%	0.227	22%	0.218	C	C	.	.			trans	-112.9	154.7	-178.6	68.4	0	0	0	0	111.8	E68 D72	E68-T70 HydrophobicContact CG-CG2 4.01Å; T70-D72 VanDerWaalsContact C-N 3.33Å; T70-D72 PolarHBondContact O-N 3.49Å
71	A	90.1	Very high	95.1	Very high	36 Å²	36	41 Å²	41	30%	0.298	22%	0.224	S	C	.	.	H	α-helix	trans	-68.6	-31.2	-178.9	0	0	0	0	0	113.4	G75	A71-G75 WeakPolarHBondContact O-CA 3.49Å; A71-G75 PolarHBondContact O-N 2.95Å
72	D	85.3	Confident	95.1	Very high	129 Å²	129	43.9 Å²	43.9	69%	0.69	24%	0.236	S	C	*	.	H	α-helix	trans	-66.7	-41.2	-175.2	-71.8	-26	0	0	0	111.5	T70 F76	T70-D72 VanDerWaalsContact C-N 3.33Å; T70-D72 PolarHBondContact O-N 3.49Å; D72-F76 WeakPolarHBondContact O-CD2 3.38Å; D72-F76 WeakPolarHBondContact O-CE2 3.41Å
73	E	86.5	Confident	95.1	Very high	40 Å²	40	43.4 Å²	43.4	19%	0.187	23%	0.232	C	C	.	.	H	α-helix	trans	-75.3	-49.4	-175.1	-58.2	177.9	165.4	0	0	112.5	S47 V48 I50 G75	S47-E73 WeakPolarHBondContact CB-OE1 3.42Å; V48-E73 HydrophobicContact CB-CB 3.86Å; V48-E73 VanDerWaalsContact CB-OE2 3.3Å; V48-E73 WeakPolarHBondContact CB-OE2 3.36Å; V48-E73 HydrophobicContact CG1-CB 4.35Å; V48-E73 PolarHBondContact N-OE2 3.37Å; I50-E73 HydrophobicContact CG2-CB 4.01Å; I50-E73 HydrophobicContact CG2-CG 3.98Å; E73-G75 VanDerWaalsContact C-N 3.31Å; E73-G75 PolarHBondContact O-N 3.33Å
74	L	93.2	Very high	95.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-73.4	-26.2	179.9	-74.3	175.9	0	0	0	112.5	V48 V69 F76 Y77 L83 M85 F98 L101	V48-L74 HydrophobicContact CG1-CD2 4.02Å; V48-L74 HydrophobicContact CG2-CD2 4.29Å; V48-L74 HydrophobicContact CG2-CG 4.43Å; V69-L74 HydrophobicContact CG1-CD1 3.39Å; V69-L74 HydrophobicContact CG1-CG 4.41Å; L74-F76 PolarHBondContact O-N 2.98Å; L74-Y77 PolarHBondContact O-N 2.79Å; L74-L83 HydrophobicContact CD1-CD2 3.89Å; L74-L83 HydrophobicContact CD2-CD1 4.33Å; L74-L83 HydrophobicContact CD2-CD2 3.77Å; L74-M85 HydrophobicContact CD1-CE 4.32Å; L74-F98 HydrophobicContact CD1-CD1 3.72Å; L74-F98 HydrophobicContact CD1-CE1 3.53Å; L74-L101 HydrophobicContact CB-CD1 4.35Å; L74-L101 HydrophobicContact CD1-CD1 4.44Å; L74-L101 WeakPolarHBondContact O-CD2 3.07Å
75	G	91.7	Very high	95.1	Very high	13 Å²	13	39.9 Å²	39.9	13%	0.134	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.5	-179.7	0	0	0	0	0	115.1	A71 E73 Y77 K100	A71-G75 WeakPolarHBondContact O-CA 3.49Å; A71-G75 PolarHBondContact O-N 2.95Å; E73-G75 VanDerWaalsContact C-N 3.31Å; E73-G75 PolarHBondContact O-N 3.33Å; G75-Y77 VanDerWaalsContact C-N 3.32Å; G75-K100 WeakPolarHBondContact O-CD 3.32Å
76	F	91.3	Very high	95.1	Very high	118 Å²	118	37.2 Å²	37.2	52%	0.518	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-19.3	173.6	-71.7	-75.9	0	0	0	113.8	I50 D72 L74	I50-F76 HydrophobicContact CB-CD2 4.32Å; I50-F76 HydrophobicContact CB-CE2 4.38Å; I50-F76 HydrophobicContact CG2-CD2 4.3Å; I50-F76 HydrophobicContact CG2-CE2 4.34Å; D72-F76 WeakPolarHBondContact O-CD2 3.38Å; D72-F76 WeakPolarHBondContact O-CE2 3.41Å; L74-F76 PolarHBondContact O-N 2.98Å
77	Y	94.7	Very high	95.2	Very high	1 Å²	1	39 Å²	39	0%	0.004	22%	0.217	C	C	.	.			trans	-111.2	52.3	-169.7	-52.5	-58	0	0	0	112.8	V48 P49 I50 L52 I56 L59 L74 G75 E79 L80 L101	V48-Y77 HydrophobicContact CG1-CE2 4.16Å; P49-Y77 WeakPolarHBondContact O-CE2 3.49Å; P49-Y77 PolarHBondContact O-OH 3.4Å; I50-Y77 VanDerWaalsContact C-OH 3.31Å; I50-Y77 WeakPolarHBondContact CA-OH 3.27Å; L52-Y77 HydrophobicContact CB-CE1 3.71Å; L52-Y77 WeakPolarHBondContact CB-OH 3.06Å; L52-Y77 PolarHBondContact N-OH 2.62Å; I56-Y77 HydrophobicContact CD1-CD1 3.73Å; I56-Y77 HydrophobicContact CD1-CE1 4.04Å; I56-Y77 HydrophobicContact CD1-CG 4.06Å; I56-Y77 HydrophobicContact CG1-CD1 3.82Å; I56-Y77 HydrophobicContact CG1-CE1 4.47Å; I56-Y77 HydrophobicContact CG1-CG 4.26Å; L59-Y77 HydrophobicContact CD2-CD2 4.39Å; L59-Y77 HydrophobicContact CD2-CE2 4.48Å; L74-Y77 PolarHBondContact O-N 2.79Å; G75-Y77 VanDerWaalsContact C-N 3.32Å; Y77-E79 PolarHBondContact O-N 2.94Å; Y77-L80 VanDerWaalsContact CB-CD1 3.41Å; Y77-L80 HydrophobicContact CD2-CD1 4.41Å; Y77-L80 HydrophobicContact CG-CD1 4.24Å; Y77-L80 WeakPolarHBondContact O-CB 3.1Å; Y77-L80 WeakPolarHBondContact O-CG 3.37Å; Y77-L80 PolarHBondContact O-N 3.34Å; Y77-L101 WeakPolarHBondContact O-CD2 3.34Å
78	A	95.2	Very high	95.2	Very high	43 Å²	43	37.3 Å²	37.3	36%	0.355	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-15	-176.5	0	0	0	0	0	114.9
79	E	97.5	Very high	95.4	Very high	65 Å²	65	38.6 Å²	38.6	30%	0.304	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.5	177.1	-63	-62.2	128.3	0	0	113.8	I56 Y77 E81 K103	I56-E79 CarbonylContact O-C 3.57Å; Y77-E79 PolarHBondContact O-N 2.94Å; E79-E81 PolarHBondContact O-N 3.4Å; E79-K103 IonicContact OE1-NZ 3.39Å; E79-K103 PolarHBondContact OE1-NZ 3.1Å; E79-K103 IonicContact OE2-NZ 3.86Å; E79-K103 PolarHBondContact OE2-NZ 3.2Å
80	L	98.3	Very high	95.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.			trans	-61.7	131.5	-179.6	-79.1	172.1	0	0	0	112.2	I56 L59 Y77 L101 K103 L104	I56-L80 HydrophobicContact CD1-CD2 4.18Å; I56-L80 HydrophobicContact CG1-CD2 3.95Å; I56-L80 HydrophobicContact CG1-CG 4.47Å; I56-L80 PolarHBondContact O-N 2.89Å; L59-L80 HydrophobicContact CB-CD1 4.44Å; L59-L80 HydrophobicContact CB-CD2 3.7Å; L59-L80 HydrophobicContact CD2-CD1 4.49Å; Y77-L80 VanDerWaalsContact CB-CD1 3.41Å; Y77-L80 HydrophobicContact CD2-CD1 4.41Å; Y77-L80 HydrophobicContact CG-CD1 4.24Å; Y77-L80 WeakPolarHBondContact O-CB 3.1Å; Y77-L80 WeakPolarHBondContact O-CG 3.37Å; Y77-L80 PolarHBondContact O-N 3.34Å; L80-L101 HydrophobicContact CD1-CD2 4.37Å; L80-K103 CarbonylContact O-C 2.98Å; L80-K103 WeakPolarHBondContact O-CB 3.26Å; L80-L104 HydrophobicContact CB-CD1 3.96Å; L80-L104 VanDerWaalsContact O-CA 3.28Å; L80-L104 WeakPolarHBondContact O-CA 2.94Å; L80-L104 PolarHBondContact O-N 3.03Å
81	E	98.8	Very high	95.7	Very high	58 Å²	58	41.5 Å²	41.5	27%	0.271	21%	0.213	S	C	.	.	S	Bend	trans	-110.7	-25.8	171.7	-62.5	-177.7	-150.2	0	0	111.4	R57 E79 K103 R105 V106	R57-E81 HydrophobicContact CB-CG 4.48Å; R57-E81 WeakPolarHBondContact CD-OE1 3.1Å; R57-E81 IonicContact CZ-OE1 3.93Å; R57-E81 IonicContact NE-OE1 3.91Å; R57-E81 IonicContact NH1-OE1 2.62Å; R57-E81 PolarHBondContact NH1-OE1 3.49Å; R57-E81 WeakPolarHBondContact O-CA 3.39Å; R57-E81 PolarHBondContact O-N 2.87Å; E79-E81 PolarHBondContact O-N 3.4Å; E81-K103 HydrophobicContact CG-CB 4.47Å; E81-R105 WeakPolarHBondContact O-CA 3.4Å; E81-R105 WeakPolarHBondContact O-CB 3.4Å; E81-R105 PolarHBondContact O-N 2.94Å; E81-V106 PolarHBondContact O-N 2.92Å; E81-V106 VanDerWaalsContact O-N 3.12Å
82	Y	98.9	Very high	96	Very high	61 Å²	61	42.3 Å²	42.3	24%	0.239	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.2	179.9	-179.3	-80	0	0	0	110.6	R57 S58 L59 D84 V106 K108	R57-Y82 PolarHBondContact O-N 3.16Å; S58-Y82 WeakPolarHBondContact CA-O 3.38Å; S58-Y82 WeakPolarHBondContact OG-CD1 3.09Å; L59-Y82 PolarHBondContact N-O 3.13Å; Y82-D84 HydrophobicContact CD1-CB 4.45Å; Y82-D84 HydrophobicContact CE1-CB 3.51Å; Y82-D84 PolarHBondContact OH-OD2 3.4Å; Y82-V106 HydrophobicContact CD2-CB 3.67Å; Y82-V106 HydrophobicContact CD2-CG1 3.72Å; Y82-V106 HydrophobicContact CD2-CG2 4.21Å; Y82-V106 HydrophobicContact CE2-CB 4.17Å; Y82-V106 HydrophobicContact CE2-CG1 3.67Å; Y82-V106 HydrophobicContact CG-CB 4.44Å; Y82-K108 WeakPolarHBondContact OH-CE 3.28Å; Y82-K108 PolarHBondContact OH-NZ 3.42Å
83	L	98.8	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.8	174	178.3	59.1	0	0	0	109.8	L59 L74 M85 F98 L101 L104 V106 L107 K108	L59-L83 HydrophobicContact CB-CD1 4.08Å; L59-L83 HydrophobicContact CD2-CD1 4.06Å; L59-L83 HydrophobicContact CG-CD1 4.09Å; L59-L83 WeakPolarHBondContact O-CA 3.47Å; L74-L83 HydrophobicContact CD1-CD2 3.89Å; L74-L83 HydrophobicContact CD2-CD1 4.33Å; L74-L83 HydrophobicContact CD2-CD2 3.77Å; L83-M85 HydrophobicContact CD1-CG 3.82Å; L83-M85 HydrophobicContact CD1-SD 4.17Å; L83-M85 HydrophobicContact CD2-CE 3.83Å; L83-M85 HydrophobicContact CD2-CG 4.43Å; L83-M85 HydrophobicContact CD2-SD 4.07Å; L83-M85 HydrophobicContact CG-CE 4.3Å; L83-M85 HydrophobicContact CG-CG 3.98Å; L83-M85 HydrophobicContact CG-SD 4.27Å; L83-F98 HydrophobicContact CD2-CE1 4.35Å; L83-L101 HydrophobicContact CD2-CD1 4.29Å; L83-L104 HydrophobicContact CB-CD1 3.78Å; L83-L104 HydrophobicContact CB-CD2 4.39Å; L83-V106 PolarHBondContact N-O 2.87Å; L83-L107 HydrophobicContact CB-CD1 4.15Å; L83-L107 HydrophobicContact CD2-CD1 3.92Å; L83-L107 HydrophobicContact CG-CD1 4.04Å; L83-L107 WeakPolarHBondContact O-CA 3.08Å; L83-K108 PolarHBondContact O-N 3.02Å
84	D	98.9	Very high	97	Very high	14 Å²	14	36.7 Å²	36.7	8%	0.075	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.4	176.3	-174.6	-13.6	0	0	0	110.2	L59 T60 L61 Y82 S86 K108	L59-D84 PolarHBondContact O-N 3.04Å; T60-D84 HydrophobicContact CG2-CB 4.14Å; L61-D84 WeakPolarHBondContact CA-O 3.25Å; L61-D84 PolarHBondContact N-O 2.84Å; Y82-D84 HydrophobicContact CD1-CB 4.45Å; Y82-D84 HydrophobicContact CE1-CB 3.51Å; Y82-D84 PolarHBondContact OH-OD2 3.4Å; D84-S86 VanDerWaalsContact OD1-CB 3.26Å; D84-S86 WeakPolarHBondContact OD1-CB 3.22Å; D84-S86 PolarHBondContact OD1-N 3.02Å; D84-S86 PolarHBondContact OD1-OG 3.08Å; D84-K108 HydrophobicContact CB-CB 4.29Å; D84-K108 HydrophobicContact CB-CD 4.35Å
85	M	98.7	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.			trans	-119.1	25.1	175.5	-57.2	-172.5	-63.2	0	0	110.6	V48 L61 V69 L74 L83 N88 I90 F98 L107 K108 L109 N112	V48-M85 HydrophobicContact CG2-SD 4.43Å; L61-M85 HydrophobicContact CB-CG 4.27Å; L61-M85 HydrophobicContact CD1-CG 4.16Å; L61-M85 HydrophobicContact CD1-SD 4.25Å; V69-M85 HydrophobicContact CG1-CE 4.05Å; V69-M85 HydrophobicContact CG2-CE 3.69Å; V69-M85 HydrophobicContact CG2-SD 4.25Å; L74-M85 HydrophobicContact CD1-CE 4.32Å; L83-M85 HydrophobicContact CD1-CG 3.82Å; L83-M85 HydrophobicContact CD1-SD 4.17Å; L83-M85 HydrophobicContact CD2-CE 3.83Å; L83-M85 HydrophobicContact CD2-CG 4.43Å; L83-M85 HydrophobicContact CD2-SD 4.07Å; L83-M85 HydrophobicContact CG-CE 4.3Å; L83-M85 HydrophobicContact CG-CG 3.98Å; L83-M85 HydrophobicContact CG-SD 4.27Å; M85-N88 PolarHBondContact O-ND2 3.03Å; M85-I90 HydrophobicContact CB-CD1 3.97Å; M85-F98 HydrophobicContact CE-CE1 4Å; M85-F98 HydrophobicContact CE-CZ 4.26Å; M85-L107 HydrophobicContact CE-CD1 4.43Å; M85-K108 CarbonylContact C-O 3.15Å; M85-K108 PolarHBondContact N-O 2.99Å; M85-L109 HydrophobicContact CB-CD2 4.29Å; M85-L109 HydrophobicContact CE-CD2 3.6Å; M85-N112 PolarHBondContact O-ND2 3.43Å
86	S	98.9	Very high	97.2	Very high	22 Å²	22	39.8 Å²	39.8	15%	0.154	22%	0.218	C	C	.	.			trans	-64.2	156.9	178.7	61.1	0	0	0	0	112.6	S62 H63 D84 N88 K108 G110	S62-S86 CarbonylContact C-O 3.42Å; S62-S86 WeakPolarHBondContact CA-O 3.37Å; S62-S86 VanDerWaalsContact CB-O 3.32Å; S62-S86 WeakPolarHBondContact CB-O 3.48Å; H63-S86 PolarHBondContact N-O 2.85Å; H63-S86 VanDerWaalsContact N-O 3.08Å; D84-S86 VanDerWaalsContact OD1-CB 3.26Å; D84-S86 WeakPolarHBondContact OD1-CB 3.22Å; D84-S86 PolarHBondContact OD1-N 3.02Å; D84-S86 PolarHBondContact OD1-OG 3.08Å; S86-N88 PolarHBondContact O-N 3Å; S86-N88 PolarHBondContact O-ND2 2.99Å; S86-K108 PolarHBondContact N-O 2.59Å; S86-G110 CarbonylContact C-O 3.18Å; S86-G110 WeakPolarHBondContact CA-O 3.37Å; S86-G110 VanDerWaalsContact CB-O 3.23Å; S86-G110 WeakPolarHBondContact CB-O 3.1Å
87	S	98.8	Very high	97.4	Very high	37 Å²	37	34.3 Å²	34.3	26%	0.259	19%	0.194	S	C	.	.	S	Bend	trans	56.9	45.1	179.3	-59.4	0	0	0	0	113.3	H63 G110 A111	H63-S87 WeakPolarHBondContact CA-O 3.37Å; H63-S87 PolarHBondContact CE1-OG 3.38Å; H63-S87 PolarHBondContact N-O 3.43Å; H63-S87 VanDerWaalsContact ND1-CB 3.27Å; H63-S87 WeakPolarHBondContact ND1-CB 3.37Å; S87-G110 PolarHBondContact N-O 2.99Å; S87-A111 WeakPolarHBondContact CA-O 3.48Å; S87-A111 PolarHBondContact N-O 2.89Å; S87-A111 VanDerWaalsContact N-O 3.13Å
88	N	98.8	Very high	97.5	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.064	19%	0.194	C	C	.	.	S	Bend	trans	-110.2	-157.9	172.7	-86.7	-80.4	0	0	0	109.8	L61 N64 I65 I66 M85 S86 I90 A111 N112	L61-N88 PolarHBondContact O-ND2 2.85Å; N64-N88 VanDerWaalsContact CA-OD1 3.25Å; N64-N88 WeakPolarHBondContact CA-OD1 3.45Å; N64-N88 WeakPolarHBondContact CB-OD1 3.3Å; N64-N88 PolarHBondContact N-OD1 2.91Å; N64-N88 PolarHBondContact O-OD1 2.72Å; I65-N88 PolarHBondContact N-OD1 3.12Å; I66-N88 HydrophobicContact CB-CB 4.35Å; I66-N88 WeakPolarHBondContact CB-OD1 3.45Å; I66-N88 PolarHBondContact N-OD1 2.95Å; I66-N88 VanDerWaalsContact N-OD1 3.15Å; M85-N88 PolarHBondContact O-ND2 3.03Å; S86-N88 PolarHBondContact O-N 3Å; S86-N88 PolarHBondContact O-ND2 2.99Å; N88-I90 HydrophobicContact CB-CD1 4.11Å; N88-I90 HydrophobicContact CB-CG1 3.93Å; N88-A111 PolarHBondContact N-O 3.46Å; N88-N112 WeakPolarHBondContact CA-OD1 3.4Å; N88-N112 WeakPolarHBondContact CB-OD1 3.31Å; N88-N112 PolarHBondContact N-OD1 3.37Å; N88-N112 PolarHBondContact O-OD1 3.23Å
89	R	98.5	Very high	97.6	Very high	125 Å²	125	39 Å²	39	47%	0.472	20%	0.204	S	C	.	.			trans	-119.7	27.3	174.7	-61.3	-178.5	179.6	-179.1	0.2	111.1	I66 A67 Q91 N112	I66-R89 CarbonylContact O-C 3.59Å; I66-R89 WeakPolarHBondContact O-CA 3.49Å; I66-R89 PolarHBondContact O-N 3.26Å; A67-R89 WeakPolarHBondContact CA-O 3.04Å; R89-Q91 PolarHBondContact O-N 3.39Å; R89-Q91 VanDerWaalsContact O-N 3.12Å; R89-N112 PolarHBondContact N-OD1 2.91Å
90	I	98.6	Very high	97.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.			trans	-64.7	115.5	-171.7	-59.3	167.2	0	0	0	108.5	I66 A67 V69 M85 N88 S92 I93 L109 N112 R113 L114	I66-I90 HydrophobicContact CG2-CG1 4.25Å; I66-I90 PolarHBondContact O-N 3.49Å; I66-I90 VanDerWaalsContact O-N 3.15Å; A67-I90 WeakPolarHBondContact O-CA 3.36Å; V69-I90 HydrophobicContact CG2-CD1 3.75Å; V69-I90 HydrophobicContact CG2-CG1 4.25Å; V69-I90 HydrophobicContact CG2-CG2 3.93Å; M85-I90 HydrophobicContact CB-CD1 3.97Å; N88-I90 HydrophobicContact CB-CD1 4.11Å; N88-I90 HydrophobicContact CB-CG1 3.93Å; I90-S92 WeakPolarHBondContact CG2-O 3.35Å; I90-I93 HydrophobicContact CG2-CG1 4.19Å; I90-L109 HydrophobicContact CD1-CD2 4.1Å; I90-N112 HydrophobicContact CB-CB 4.19Å; I90-N112 WeakPolarHBondContact CB-OD1 3.18Å; I90-N112 WeakPolarHBondContact CG1-OD1 3.24Å; I90-N112 PolarHBondContact N-OD1 2.97Å; I90-R113 CarbonylContact O-C 3.02Å; I90-R113 VanDerWaalsContact O-CA 3.31Å; I90-R113 WeakPolarHBondContact O-CA 3.43Å; I90-R113 PolarHBondContact O-N 3.05Å; I90-L114 HydrophobicContact CG2-CD2 3.76Å; I90-L114 HydrophobicContact CG2-CG 4.41Å; I90-L114 PolarHBondContact O-N 3.05Å; I90-L114 VanDerWaalsContact O-N 3.16Å
91	Q	98.1	Very high	97.5	Very high	98 Å²	98	41.3 Å²	41.3	46%	0.458	21%	0.213	S	C	.	.			trans	-98.5	-30.5	177	-75.4	168.2	67.8	0	0	111.8	A67 R89 R113	A67-Q91 PolarHBondContact O-N 3.04Å; R89-Q91 PolarHBondContact O-N 3.39Å; R89-Q91 VanDerWaalsContact O-N 3.12Å; Q91-R113 HydrophobicContact CG-CB 3.83Å
92	S	96	Very high	97.4	Very high	53 Å²	53	43.7 Å²	43.7	37%	0.371	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.1	-178.6	57.2	0	0	0	0	111.7	V69 I90	V69-S92 PolarHBondContact N-O 3.16Å; I90-S92 WeakPolarHBondContact CG2-O 3.35Å
93	I	97.6	Very high	97.4	Very high	19 Å²	19	44.9 Å²	44.9	10%	0.097	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.6	170	-65.6	165.3	0	0	0	106	V69 I90 A97 F98 L109 L114 T121	V69-I93 HydrophobicContact CB-CB 4.49Å; V69-I93 HydrophobicContact CB-CG1 4.11Å; V69-I93 HydrophobicContact CB-CG2 4.32Å; V69-I93 HydrophobicContact CG2-CG1 4.14Å; I90-I93 HydrophobicContact CG2-CG1 4.19Å; I93-A97 HydrophobicContact CG2-CB 3.6Å; I93-F98 HydrophobicContact CD1-CE2 4.18Å; I93-F98 HydrophobicContact CD1-CZ 4.21Å; I93-F98 HydrophobicContact CG2-CD2 4.42Å; I93-F98 HydrophobicContact CG2-CE2 3.65Å; I93-F98 HydrophobicContact CG2-CZ 3.98Å; I93-L109 HydrophobicContact CD1-CD1 3.75Å; I93-L109 HydrophobicContact CD1-CD2 4.34Å; I93-L114 HydrophobicContact CD1-CD1 3.88Å; I93-L114 HydrophobicContact CD1-CD2 3.88Å; I93-L114 HydrophobicContact CG1-CD2 3.87Å; I93-T121 HydrophobicContact CB-CG2 3.93Å; I93-T121 HydrophobicContact CD1-CG2 4.09Å; I93-T121 HydrophobicContact CG2-CG2 3.86Å
94	A	95.7	Very high	97.4	Very high	31 Å²	31	44.9 Å²	44.9	26%	0.256	23%	0.23	S	C	.	.			trans	-60.6	147.3	178.1	0	0	0	0	0	111	V69 G96 A97	V69-A94 WeakPolarHBondContact O-CB 3.4Å; V69-A94 PolarHBondContact O-N 3.15Å; A94-G96 PolarHBondContact O-N 3.35Å; A94-A97 HydrophobicContact CB-CB 4.45Å; A94-A97 WeakPolarHBondContact O-CB 3.5Å; A94-A97 PolarHBondContact O-N 3.12Å
95	A	94.4	Very high	97.4	Very high	63 Å²	63	50.1 Å²	50.1	52%	0.521	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	130.3	173.1	0	0	0	0	0	110.4	A97 E120	A95-A97 PolarHBondContact O-N 2.72Å; A95-E120 HydrophobicContact CB-CB 3.96Å; A95-E120 WeakPolarHBondContact CB-OE2 3.44Å
96	G	94	Very high	97.4	Very high	16 Å²	16	51.7 Å²	51.7	17%	0.165	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	14.7	-178.2	0	0	0	0	0	115.2	A94 F98 Y99 E120 S123	A94-G96 PolarHBondContact O-N 3.35Å; G96-F98 PolarHBondContact O-N 2.95Å; G96-Y99 VanDerWaalsContact O-CB 3.24Å; G96-Y99 WeakPolarHBondContact O-CB 3.05Å; G96-Y99 PolarHBondContact O-N 3.45Å; G96-E120 PolarHBondContact N-O 2.78Å; G96-S123 WeakPolarHBondContact CA-OG 3.47Å
97	A	96.4	Very high	97.4	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.017	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-31.4	178.6	0	0	0	0	0	113.6	V69 I93 A94 A95	V69-A97 HydrophobicContact CG1-CB 4.06Å; I93-A97 HydrophobicContact CG2-CB 3.6Å; A94-A97 HydrophobicContact CB-CB 4.45Å; A94-A97 WeakPolarHBondContact O-CB 3.5Å; A94-A97 PolarHBondContact O-N 3.12Å; A95-A97 PolarHBondContact O-N 2.72Å
98	F	97.3	Very high	97.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	6.7	-179.7	-50	-62.4	0	0	0	114.2	V69 L74 L83 M85 I93 G96 K100 L101 L107 L109 T121 F122 L125	V69-F98 HydrophobicContact CG1-CE1 3.87Å; V69-F98 HydrophobicContact CG1-CZ 4.09Å; L74-F98 HydrophobicContact CD1-CD1 3.72Å; L74-F98 HydrophobicContact CD1-CE1 3.53Å; L83-F98 HydrophobicContact CD2-CE1 4.35Å; M85-F98 HydrophobicContact CE-CE1 4Å; M85-F98 HydrophobicContact CE-CZ 4.26Å; I93-F98 HydrophobicContact CD1-CE2 4.18Å; I93-F98 HydrophobicContact CD1-CZ 4.21Å; I93-F98 HydrophobicContact CG2-CD2 4.42Å; I93-F98 HydrophobicContact CG2-CE2 3.65Å; I93-F98 HydrophobicContact CG2-CZ 3.98Å; G96-F98 PolarHBondContact O-N 2.95Å; F98-K100 PolarHBondContact O-N 3Å; F98-L101 HydrophobicContact CB-CD1 4.35Å; F98-L101 HydrophobicContact CD1-CD1 3.91Å; F98-L101 WeakPolarHBondContact O-CB 3.23Å; F98-L101 PolarHBondContact O-N 3.23Å; F98-L107 HydrophobicContact CD2-CD2 4.28Å; F98-L107 HydrophobicContact CE1-CD1 4.35Å; F98-L107 HydrophobicContact CE1-CD2 4.26Å; F98-L107 HydrophobicContact CE2-CD2 3.96Å; F98-L107 HydrophobicContact CZ-CD1 4.49Å; F98-L107 HydrophobicContact CZ-CD2 3.96Å; F98-L109 HydrophobicContact CZ-CD1 4.36Å; F98-T121 WeakPolarHBondContact CD2-O 3.47Å; F98-F122 HydrophobicContact CD2-CD1 4.25Å; F98-F122 HydrophobicContact CE2-CD1 4.09Å; F98-F122 HydrophobicContact CE2-CE1 4.26Å; F98-L125 HydrophobicContact CB-CD1 4.03Å; F98-L125 HydrophobicContact CB-CD2 3.75Å; F98-L125 HydrophobicContact CB-CG 3.86Å; F98-L125 HydrophobicContact CD2-CD1 4Å; F98-L125 HydrophobicContact CG-CD1 4.16Å; F98-L125 HydrophobicContact CG-CD2 4.5Å
99	Y	96.4	Very high	97.4	Very high	143 Å²	143	51.2 Å²	51.2	56%	0.561	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.4	-168	-177.2	-97.9	0	0	0	113.7	G96 H102 S123	G96-Y99 VanDerWaalsContact O-CB 3.24Å; G96-Y99 WeakPolarHBondContact O-CB 3.05Å; G96-Y99 PolarHBondContact O-N 3.45Å; Y99-H102 PolarHBondContact O-CE1 3.01Å; Y99-H102 PolarHBondContact O-ND1 2.94Å; Y99-H102 PolarHBondContact O-NE2 3.06Å; Y99-S123 WeakPolarHBondContact CA-O 3.47Å
100	K	96.2	Very high	97.4	Very high	112 Å²	112	45.5 Å²	45.5	49%	0.487	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.8	179.7	-65	178.9	-176.7	165.9	0	114.4	G75 F98 H102	G75-K100 WeakPolarHBondContact O-CD 3.32Å; F98-K100 PolarHBondContact O-N 3Å; K100-H102 VanDerWaalsContact C-N 3.25Å; K100-H102 PolarHBondContact O-N 2.93Å; K100-H102 VanDerWaalsContact O-N 3.1Å
101	L	97.3	Very high	97.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.24	C	C	.	.			trans	-88.7	49.8	-173.1	-54.9	-171.2	0	0	0	112.4	L74 Y77 L80 L83 F98 K103 L104 L125	L74-L101 HydrophobicContact CB-CD1 4.35Å; L74-L101 HydrophobicContact CD1-CD1 4.44Å; L74-L101 WeakPolarHBondContact O-CD2 3.07Å; Y77-L101 WeakPolarHBondContact O-CD2 3.34Å; L80-L101 HydrophobicContact CD1-CD2 4.37Å; L83-L101 HydrophobicContact CD2-CD1 4.29Å; F98-L101 HydrophobicContact CB-CD1 4.35Å; F98-L101 HydrophobicContact CD1-CD1 3.91Å; F98-L101 WeakPolarHBondContact O-CB 3.23Å; F98-L101 PolarHBondContact O-N 3.23Å; L101-K103 PolarHBondContact O-N 2.79Å; L101-L104 HydrophobicContact CB-CB 4.09Å; L101-L104 HydrophobicContact CD1-CD2 4.14Å; L101-L104 VanDerWaalsContact O-CB 3.27Å; L101-L104 WeakPolarHBondContact O-CB 3.42Å; L101-L104 PolarHBondContact O-N 3.38Å; L101-L125 HydrophobicContact CB-CD2 4.23Å
102	H	97.2	Very high	97.5	Very high	108 Å²	108	42.8 Å²	42.8	50%	0.5	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.9	-173.5	-54.2	-56.9	0	0	0	114.9	Y99 K100 G124 A127	Y99-H102 PolarHBondContact O-CE1 3.01Å; Y99-H102 PolarHBondContact O-ND1 2.94Å; Y99-H102 PolarHBondContact O-NE2 3.06Å; K100-H102 VanDerWaalsContact C-N 3.25Å; K100-H102 PolarHBondContact O-N 2.93Å; K100-H102 VanDerWaalsContact O-N 3.1Å; H102-G124 PolarHBondContact ND1-O 3.13Å; H102-A127 WeakPolarHBondContact O-CB 3.44Å
103	K	98.5	Very high	97.6	Very high	87 Å²	87	45.5 Å²	45.5	38%	0.378	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-6.2	178.3	-72.2	174.7	173.7	171.8	0	113.2	E79 L80 E81 L101 R105	E79-K103 IonicContact OE1-NZ 3.39Å; E79-K103 PolarHBondContact OE1-NZ 3.1Å; E79-K103 IonicContact OE2-NZ 3.86Å; E79-K103 PolarHBondContact OE2-NZ 3.2Å; L80-K103 CarbonylContact O-C 2.98Å; L80-K103 WeakPolarHBondContact O-CB 3.26Å; E81-K103 HydrophobicContact CG-CB 4.47Å; L101-K103 PolarHBondContact O-N 2.79Å; K103-R105 PolarHBondContact O-N 3.03Å
104	L	98.7	Very high	97.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.			trans	-65.1	128	-174	-161	72.2	0	0	0	110.2	L80 L83 L101 L107 L125 A127 L128	L80-L104 HydrophobicContact CB-CD1 3.96Å; L80-L104 VanDerWaalsContact O-CA 3.28Å; L80-L104 WeakPolarHBondContact O-CA 2.94Å; L80-L104 PolarHBondContact O-N 3.03Å; L83-L104 HydrophobicContact CB-CD1 3.78Å; L83-L104 HydrophobicContact CB-CD2 4.39Å; L101-L104 HydrophobicContact CB-CB 4.09Å; L101-L104 HydrophobicContact CD1-CD2 4.14Å; L101-L104 VanDerWaalsContact O-CB 3.27Å; L101-L104 WeakPolarHBondContact O-CB 3.42Å; L101-L104 PolarHBondContact O-N 3.38Å; L104-L107 HydrophobicContact CD2-CB 3.93Å; L104-L107 HydrophobicContact CD2-CD1 4.29Å; L104-L107 HydrophobicContact CD2-CD2 4.39Å; L104-L107 HydrophobicContact CD2-CG 4.44Å; L104-L125 HydrophobicContact CB-CD2 4.01Å; L104-L125 HydrophobicContact CD2-CD2 3.74Å; L104-L125 HydrophobicContact CG-CD2 4.5Å; L104-A127 CarbonylContact O-C 3.41Å; L104-L128 HydrophobicContact CB-CD1 4.17Å; L104-L128 HydrophobicContact CD2-CD1 3.92Å; L104-L128 HydrophobicContact CG-CD1 3.86Å; L104-L128 VanDerWaalsContact O-CA 3.23Å; L104-L128 WeakPolarHBondContact O-CA 3.3Å; L104-L128 PolarHBondContact O-N 2.98Å; L104-L128 VanDerWaalsContact O-N 3.13Å
105	R	98.9	Very high	97.7	Very high	124 Å²	124	47 Å²	47	47%	0.468	23%	0.228	S	C	.	.			trans	-110.4	-32	-179.8	-63.8	-178.5	174.3	-143.3	-2.3	111.9	E81 K103 K129 L130	E81-R105 WeakPolarHBondContact O-CA 3.4Å; E81-R105 WeakPolarHBondContact O-CB 3.4Å; E81-R105 PolarHBondContact O-N 2.94Å; K103-R105 PolarHBondContact O-N 3.03Å; R105-K129 WeakPolarHBondContact O-CA 3.27Å; R105-K129 PolarHBondContact O-N 2.87Å; R105-L130 PolarHBondContact O-N 3.05Å
106	V	98.9	Very high	97.8	Very high	32 Å²	32	47.4 Å²	47.4	19%	0.194	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.7	-178.3	-179.7	0	0	0	0	109	E81 Y82 L83 K108 L130	E81-V106 PolarHBondContact O-N 2.92Å; E81-V106 VanDerWaalsContact O-N 3.12Å; Y82-V106 HydrophobicContact CD2-CB 3.67Å; Y82-V106 HydrophobicContact CD2-CG1 3.72Å; Y82-V106 HydrophobicContact CD2-CG2 4.21Å; Y82-V106 HydrophobicContact CE2-CB 4.17Å; Y82-V106 HydrophobicContact CE2-CG1 3.67Å; Y82-V106 HydrophobicContact CG-CB 4.44Å; L83-V106 PolarHBondContact N-O 2.87Å; V106-K108 HydrophobicContact CG1-CG 4.21Å; V106-L130 HydrophobicContact CG1-CB 4.45Å; V106-L130 HydrophobicContact CG1-CD2 4.22Å; V106-L130 HydrophobicContact CG2-CB 4.36Å
107	L	98.9	Very high	98	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118	173.2	177.9	55.5	0	0	0	109	L83 M85 F98 L104 L109 F122 L125 L128 L130 L131 D132	L83-L107 HydrophobicContact CB-CD1 4.15Å; L83-L107 HydrophobicContact CD2-CD1 3.92Å; L83-L107 HydrophobicContact CG-CD1 4.04Å; L83-L107 WeakPolarHBondContact O-CA 3.08Å; M85-L107 HydrophobicContact CE-CD1 4.43Å; F98-L107 HydrophobicContact CD2-CD2 4.28Å; F98-L107 HydrophobicContact CE1-CD1 4.35Å; F98-L107 HydrophobicContact CE1-CD2 4.26Å; F98-L107 HydrophobicContact CE2-CD2 3.96Å; F98-L107 HydrophobicContact CZ-CD1 4.49Å; F98-L107 HydrophobicContact CZ-CD2 3.96Å; L104-L107 HydrophobicContact CD2-CB 3.93Å; L104-L107 HydrophobicContact CD2-CD1 4.29Å; L104-L107 HydrophobicContact CD2-CD2 4.39Å; L104-L107 HydrophobicContact CD2-CG 4.44Å; L107-L109 HydrophobicContact CD1-CD1 4.32Å; L107-L109 HydrophobicContact CD1-CG 4.1Å; L107-L109 HydrophobicContact CD2-CD1 3.91Å; L107-L109 HydrophobicContact CG-CD1 3.98Å; L107-L109 HydrophobicContact CG-CG 4.1Å; L107-F122 HydrophobicContact CD2-CD1 4.42Å; L107-F122 HydrophobicContact CD2-CE1 4.49Å; L107-L125 HydrophobicContact CD2-CD1 3.78Å; L107-L128 HydrophobicContact CB-CD1 3.85Å; L107-L128 HydrophobicContact CB-CD2 4.22Å; L107-L130 PolarHBondContact N-O 3.34Å; L107-L131 HydrophobicContact CB-CD1 4.11Å; L107-L131 HydrophobicContact CD2-CD1 3.91Å; L107-L131 HydrophobicContact CG-CD1 3.97Å; L107-D132 PolarHBondContact O-N 3.03Å
108	K	98.9	Very high	98	Very high	61 Å²	61	48.1 Å²	48.1	27%	0.265	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.5	174.8	-61.7	179.3	174.8	175.1	0	110.8	Y82 L83 D84 M85 S86 V106 D132	Y82-K108 WeakPolarHBondContact OH-CE 3.28Å; Y82-K108 PolarHBondContact OH-NZ 3.42Å; L83-K108 PolarHBondContact O-N 3.02Å; D84-K108 HydrophobicContact CB-CB 4.29Å; D84-K108 HydrophobicContact CB-CD 4.35Å; M85-K108 CarbonylContact C-O 3.15Å; M85-K108 PolarHBondContact N-O 2.99Å; S86-K108 PolarHBondContact N-O 2.59Å; V106-K108 HydrophobicContact CG1-CG 4.21Å; K108-D132 HydrophobicContact CB-CB 4.47Å; K108-D132 HydrophobicContact CG-CB 4.25Å
109	L	98.9	Very high	97.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.			trans	-127.4	10.8	179.1	-71.2	166.3	0	0	0	111.1	M85 I90 I93 F98 L107 N112 L114 F122 L131 D132 L133 N136	M85-L109 HydrophobicContact CB-CD2 4.29Å; M85-L109 HydrophobicContact CE-CD2 3.6Å; I90-L109 HydrophobicContact CD1-CD2 4.1Å; I93-L109 HydrophobicContact CD1-CD1 3.75Å; I93-L109 HydrophobicContact CD1-CD2 4.34Å; F98-L109 HydrophobicContact CZ-CD1 4.36Å; L107-L109 HydrophobicContact CD1-CD1 4.32Å; L107-L109 HydrophobicContact CD1-CG 4.1Å; L107-L109 HydrophobicContact CD2-CD1 3.91Å; L107-L109 HydrophobicContact CG-CD1 3.98Å; L107-L109 HydrophobicContact CG-CG 4.1Å; L109-N112 WeakPolarHBondContact O-CB 3.22Å; L109-N112 PolarHBondContact O-ND2 3.28Å; L109-L114 HydrophobicContact CB-CD1 4.35Å; L109-F122 HydrophobicContact CD1-CE1 4.01Å; L109-L131 HydrophobicContact CD1-CD1 4.43Å; L109-D132 CarbonylContact C-O 3.35Å; L109-D132 WeakPolarHBondContact CA-O 3.13Å; L109-D132 WeakPolarHBondContact CB-O 3.38Å; L109-D132 PolarHBondContact N-O 2.8Å; L109-L133 HydrophobicContact CB-CD2 3.88Å; L109-L133 HydrophobicContact CD1-CD2 3.88Å; L109-N136 PolarHBondContact O-ND2 3.1Å
110	G	98.8	Very high	97.7	Very high	5 Å²	5	50 Å²	50	5%	0.052	25%	0.251	C	S	.	.			trans	-66.9	158.9	-178.5	0	0	0	0	0	113.9	S86 S87 N112 D132 G134	S86-G110 CarbonylContact C-O 3.18Å; S86-G110 WeakPolarHBondContact CA-O 3.37Å; S86-G110 VanDerWaalsContact CB-O 3.23Å; S86-G110 WeakPolarHBondContact CB-O 3.1Å; S87-G110 PolarHBondContact N-O 2.99Å; G110-N112 PolarHBondContact O-ND2 3.23Å; G110-D132 PolarHBondContact N-O 3.16Å; G110-G134 CarbonylContact C-O 3.48Å; G110-G134 WeakPolarHBondContact CA-O 3.47Å
111	A	98.8	Very high	97.7	Very high	30 Å²	30	45.2 Å²	45.2	25%	0.248	23%	0.231	C	C	.	.	S	Bend	trans	54.8	54.9	-174.1	0	0	0	0	0	111.9	S87 N88 G134 D135	S87-A111 WeakPolarHBondContact CA-O 3.48Å; S87-A111 PolarHBondContact N-O 2.89Å; S87-A111 VanDerWaalsContact N-O 3.13Å; N88-A111 PolarHBondContact N-O 3.46Å; A111-G134 PolarHBondContact N-O 2.89Å; A111-D135 CarbonylContact C-O 3.18Å; A111-D135 WeakPolarHBondContact CA-O 3.33Å; A111-D135 HydrophobicContact CB-CB 4.4Å; A111-D135 PolarHBondContact N-O 3.01Å
112	N	98.9	Very high	97.7	Very high	12 Å²	12	45.3 Å²	45.3	6%	0.064	23%	0.231	C	C	.	.	S	Bend	trans	-125.5	-160.7	174.3	-86.8	-70.2	0	0	0	109.5	M85 N88 R89 I90 L109 G110 D135 N136	M85-N112 PolarHBondContact O-ND2 3.43Å; N88-N112 WeakPolarHBondContact CA-OD1 3.4Å; N88-N112 WeakPolarHBondContact CB-OD1 3.31Å; N88-N112 PolarHBondContact N-OD1 3.37Å; N88-N112 PolarHBondContact O-OD1 3.23Å; R89-N112 PolarHBondContact N-OD1 2.91Å; I90-N112 HydrophobicContact CB-CB 4.19Å; I90-N112 WeakPolarHBondContact CB-OD1 3.18Å; I90-N112 WeakPolarHBondContact CG1-OD1 3.24Å; I90-N112 PolarHBondContact N-OD1 2.97Å; L109-N112 WeakPolarHBondContact O-CB 3.22Å; L109-N112 PolarHBondContact O-ND2 3.28Å; G110-N112 PolarHBondContact O-ND2 3.23Å; N112-D135 PolarHBondContact N-O 3.32Å; N112-D135 VanDerWaalsContact N-O 3.1Å; N112-N136 WeakPolarHBondContact CA-OD1 3.48Å; N112-N136 WeakPolarHBondContact CB-OD1 3.27Å
113	R	98.7	Very high	97.6	Very high	110 Å²	110	40.9 Å²	40.9	42%	0.415	21%	0.213	S	C	.	.			trans	-125.9	28.8	-178.3	-58.2	-178.8	-175.3	-172.1	-5.2	111.5	I90 Q91 N115 N136	I90-R113 CarbonylContact O-C 3.02Å; I90-R113 VanDerWaalsContact O-CA 3.31Å; I90-R113 WeakPolarHBondContact O-CA 3.43Å; I90-R113 PolarHBondContact O-N 3.05Å; Q91-R113 HydrophobicContact CG-CB 3.83Å; R113-N115 PolarHBondContact O-N 3.29Å; R113-N136 PolarHBondContact N-OD1 3.25Å
114	L	98.6	Very high	97.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.			trans	-66.6	119.7	-179.9	-67.5	170.2	0	0	0	108.6	I90 I93 L109 L133 N136 E137 L138	I90-L114 HydrophobicContact CG2-CD2 3.76Å; I90-L114 HydrophobicContact CG2-CG 4.41Å; I90-L114 PolarHBondContact O-N 3.05Å; I90-L114 VanDerWaalsContact O-N 3.16Å; I93-L114 HydrophobicContact CD1-CD1 3.88Å; I93-L114 HydrophobicContact CD1-CD2 3.88Å; I93-L114 HydrophobicContact CG1-CD2 3.87Å; L109-L114 HydrophobicContact CB-CD1 4.35Å; L114-L133 HydrophobicContact CD1-CD2 3.77Å; L114-N136 HydrophobicContact CB-CB 4.25Å; L114-N136 WeakPolarHBondContact CB-OD1 3.47Å; L114-N136 PolarHBondContact N-OD1 3.01Å; L114-E137 CarbonylContact O-C 3.41Å; L114-E137 VanDerWaalsContact O-CA 3.27Å; L114-E137 WeakPolarHBondContact O-CA 3.28Å; L114-E137 PolarHBondContact O-N 3.12Å; L114-L138 HydrophobicContact CB-CD2 4.13Å; L114-L138 WeakPolarHBondContact O-CD2 3.42Å; L114-L138 PolarHBondContact O-N 2.73Å; L114-L138 VanDerWaalsContact O-N 3.13Å
115	N	97.6	Very high	97.4	Very high	82 Å²	82	37.4 Å²	37.4	44%	0.439	20%	0.201	S	C	.	.			trans	-107.7	-17.1	-179.6	60.3	28	0	0	0	113.8	R113 E137	R113-N115 PolarHBondContact O-N 3.29Å; N115-E137 WeakPolarHBondContact CA-O 3.43Å; N115-E137 HydrophobicContact CB-CB 4.17Å
116	D	96.3	Very high	97.4	Very high	70 Å²	70	33 Å²	33	37%	0.374	19%	0.194	S	C	.	.			trans	-146.1	152.5	174.2	-154.5	7.2	0	0	0	111.2	R140	D116-R140 IonicContact OD1-NE 2.7Å; D116-R140 IonicContact OD2-NH2 2.76Å; D116-R140 PolarHBondContact OD2-NH2 3.03Å
117	I	97.7	Very high	97.4	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	20%	0.197	C	C	.	.			trans	-142.5	142.2	175	48.9	168.4	0	0	0	108.7	T121 F122 L133 L138 L141 P142 V145 F146	I117-T121 HydrophobicContact CB-CG2 4.43Å; I117-T121 HydrophobicContact CG2-CG2 4.12Å; I117-F122 HydrophobicContact CB-CE2 4.17Å; I117-F122 HydrophobicContact CD1-CE2 4.04Å; I117-F122 HydrophobicContact CG2-CE2 4.07Å; I117-F122 HydrophobicContact CG2-CZ 4.06Å; I117-L133 HydrophobicContact CD1-CD1 4.38Å; I117-L138 HydrophobicContact CD1-CD1 4.08Å; I117-L138 HydrophobicContact CG1-CD1 4.48Å; I117-L138 HydrophobicContact CG1-CD2 4.09Å; I117-L138 HydrophobicContact CG2-CD2 4.02Å; I117-L141 HydrophobicContact CD1-CD2 4.19Å; I117-P142 WeakPolarHBondContact O-CG 3.45Å; I117-V145 HydrophobicContact CB-CG2 4.03Å; I117-V145 HydrophobicContact CD1-CG2 3.66Å; I117-V145 HydrophobicContact CG1-CG2 3.74Å; I117-F146 HydrophobicContact CD1-CE1 3.92Å; I117-F146 HydrophobicContact CD1-CZ 3.9Å
118	G	95.6	Very high	97.3	Very high	28 Å²	28	32.9 Å²	32.9	29%	0.289	20%	0.197	S	C	.	.			trans	-124.1	173.4	-177	0	0	0	0	0	113.2	E120 T121	G118-E120 PolarHBondContact O-N 2.8Å; G118-E120 VanDerWaalsContact O-N 3.12Å; G118-T121 PolarHBondContact N-OG1 3.03Å; G118-T121 VanDerWaalsContact O-CB 3.28Å; G118-T121 WeakPolarHBondContact O-CB 3.48Å; G118-T121 PolarHBondContact O-N 3.48Å; G118-T121 PolarHBondContact O-OG1 3.38Å
119	A	92.4	Very high	97.3	Very high	57 Å²	57	33.9 Å²	33.9	47%	0.471	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.9	-178.4	0	0	0	0	0	113.6
120	E	94.9	Very high	97.3	Very high	126 Å²	126	36.8 Å²	36.8	59%	0.589	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.1	-179.6	-61.2	-171.8	160.2	0	0	114	A95 G96 G118 F122 S123	A95-E120 HydrophobicContact CB-CB 3.96Å; A95-E120 WeakPolarHBondContact CB-OE2 3.44Å; G96-E120 PolarHBondContact N-O 2.78Å; G118-E120 PolarHBondContact O-N 2.8Å; G118-E120 VanDerWaalsContact O-N 3.12Å; E120-F122 VanDerWaalsContact C-N 3.31Å; E120-F122 PolarHBondContact O-N 2.83Å; E120-S123 PolarHBondContact O-N 2.78Å; E120-S123 PolarHBondContact O-OG 2.99Å
121	T	97	Very high	97.4	Very high	12 Å²	12	36.5 Å²	36.5	7%	0.074	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-41.6	-176.5	-63.9	0	0	0	0	111.7	I93 F98 I117 G118	I93-T121 HydrophobicContact CB-CG2 3.93Å; I93-T121 HydrophobicContact CD1-CG2 4.09Å; I93-T121 HydrophobicContact CG2-CG2 3.86Å; F98-T121 WeakPolarHBondContact CD2-O 3.47Å; I117-T121 HydrophobicContact CB-CG2 4.43Å; I117-T121 HydrophobicContact CG2-CG2 4.12Å; G118-T121 PolarHBondContact N-OG1 3.03Å; G118-T121 VanDerWaalsContact O-CB 3.28Å; G118-T121 WeakPolarHBondContact O-CB 3.48Å; G118-T121 PolarHBondContact O-N 3.48Å; G118-T121 PolarHBondContact O-OG1 3.38Å
122	F	97.4	Very high	97.4	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.013	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	18.4	-177.7	-56.4	-65.4	0	0	0	113	F98 L107 L109 I117 E120 L125 L131 L133 F146 M149	F98-F122 HydrophobicContact CD2-CD1 4.25Å; F98-F122 HydrophobicContact CE2-CD1 4.09Å; F98-F122 HydrophobicContact CE2-CE1 4.26Å; L107-F122 HydrophobicContact CD2-CD1 4.42Å; L107-F122 HydrophobicContact CD2-CE1 4.49Å; L109-F122 HydrophobicContact CD1-CE1 4.01Å; I117-F122 HydrophobicContact CB-CE2 4.17Å; I117-F122 HydrophobicContact CD1-CE2 4.04Å; I117-F122 HydrophobicContact CG2-CE2 4.07Å; I117-F122 HydrophobicContact CG2-CZ 4.06Å; E120-F122 VanDerWaalsContact C-N 3.31Å; E120-F122 PolarHBondContact O-N 2.83Å; F122-L125 HydrophobicContact CB-CD1 4.11Å; F122-L125 HydrophobicContact CD1-CD1 4.12Å; F122-L125 WeakPolarHBondContact O-CB 3.35Å; F122-L125 PolarHBondContact O-N 3.1Å; F122-L131 HydrophobicContact CD1-CD2 4.3Å; F122-L131 HydrophobicContact CD2-CD2 4.5Å; F122-L131 HydrophobicContact CE1-CD1 4.11Å; F122-L131 HydrophobicContact CE1-CD2 4.13Å; F122-L131 HydrophobicContact CE2-CD2 4.33Å; F122-L131 HydrophobicContact CG-CD2 4.49Å; F122-L131 HydrophobicContact CZ-CD2 4.15Å; F122-L133 HydrophobicContact CE2-CD1 4.24Å; F122-L133 HydrophobicContact CZ-CD1 3.82Å; F122-L133 HydrophobicContact CZ-CD2 4.04Å; F122-L133 HydrophobicContact CZ-CG 4.45Å; F122-F146 HydrophobicContact CD2-CD1 4.05Å; F122-F146 HydrophobicContact CD2-CE1 4.2Å; F122-F146 HydrophobicContact CE2-CD1 4.23Å; F122-F146 AromaticContact CE2-CE1 3.91Å; F122-F146 HydrophobicContact CE2-CE1 3.91Å; F122-M149 HydrophobicContact CB-CE 4.44Å; F122-M149 HydrophobicContact CB-SD 4.24Å
123	S	96	Very high	97.4	Very high	15 Å²	15	36.2 Å²	36.2	11%	0.105	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	141.3	-178.6	57.3	0	0	0	0	112.1	G96 Y99 E120 L125 D148	G96-S123 WeakPolarHBondContact CA-OG 3.47Å; Y99-S123 WeakPolarHBondContact CA-O 3.47Å; E120-S123 PolarHBondContact O-N 2.78Å; E120-S123 PolarHBondContact O-OG 2.99Å; S123-L125 VanDerWaalsContact C-N 3.32Å; S123-L125 PolarHBondContact O-N 3.16Å; S123-D148 WeakPolarHBondContact CA-OD2 3.12Å
124	G	95.2	Very high	97.4	Very high	13 Å²	13	31.2 Å²	31.2	13%	0.134	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-5.7	179.7	0	0	0	0	0	116.2	H102 G126 D148	H102-G124 PolarHBondContact ND1-O 3.13Å; G124-G126 PolarHBondContact O-N 3.35Å; G124-D148 PolarHBondContact N-OD2 2.99Å; G124-D148 VanDerWaalsContact N-OD2 3.15Å
125	L	97.8	Very high	97.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.213	C	C	.	.			trans	-80	41.7	179.8	-66.9	-176.3	0	0	0	114.1	F98 L101 L104 L107 F122 S123 A127 L128 M149	F98-L125 HydrophobicContact CB-CD1 4.03Å; F98-L125 HydrophobicContact CB-CD2 3.75Å; F98-L125 HydrophobicContact CB-CG 3.86Å; F98-L125 HydrophobicContact CD2-CD1 4Å; F98-L125 HydrophobicContact CG-CD1 4.16Å; F98-L125 HydrophobicContact CG-CD2 4.5Å; L101-L125 HydrophobicContact CB-CD2 4.23Å; L104-L125 HydrophobicContact CB-CD2 4.01Å; L104-L125 HydrophobicContact CD2-CD2 3.74Å; L104-L125 HydrophobicContact CG-CD2 4.5Å; L107-L125 HydrophobicContact CD2-CD1 3.78Å; F122-L125 HydrophobicContact CB-CD1 4.11Å; F122-L125 HydrophobicContact CD1-CD1 4.12Å; F122-L125 WeakPolarHBondContact O-CB 3.35Å; F122-L125 PolarHBondContact O-N 3.1Å; S123-L125 VanDerWaalsContact C-N 3.32Å; S123-L125 PolarHBondContact O-N 3.16Å; L125-A127 PolarHBondContact O-N 2.94Å; L125-A127 VanDerWaalsContact O-N 3.16Å; L125-L128 HydrophobicContact CB-CB 4.15Å; L125-L128 HydrophobicContact CD1-CD2 4.13Å; L125-L128 VanDerWaalsContact O-CB 3.3Å; L125-L128 WeakPolarHBondContact O-CB 3.23Å; L125-L128 PolarHBondContact O-N 3Å; L125-L128 VanDerWaalsContact O-N 3.1Å; L125-M149 HydrophobicContact CB-CG 4.07Å
126	G	97.5	Very high	97.4	Very high	32 Å²	32	31.8 Å²	31.8	33%	0.33	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.5	-175.7	0	0	0	0	0	115.5	G124 D148 N151	G124-G126 PolarHBondContact O-N 3.35Å; G126-D148 VanDerWaalsContact CA-O 3.31Å; G126-D148 WeakPolarHBondContact CA-O 3.18Å; G126-N151 WeakPolarHBondContact O-CB 3.36Å; G126-N151 PolarHBondContact O-ND2 3.16Å
127	A	98.5	Very high	97.6	Very high	30 Å²	30	32.4 Å²	32.4	25%	0.248	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.2	178	0	0	0	0	0	114.2	H102 L104 L125	H102-A127 WeakPolarHBondContact O-CB 3.44Å; L104-A127 CarbonylContact O-C 3.41Å; L125-A127 PolarHBondContact O-N 2.94Å; L125-A127 VanDerWaalsContact O-N 3.16Å
128	L	98.8	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.193	C	C	.	.			trans	-66.1	135.8	-173.1	-156.6	77.7	0	0	0	110.8	L104 L107 L125 L131 M149 N151 L152	L104-L128 HydrophobicContact CB-CD1 4.17Å; L104-L128 HydrophobicContact CD2-CD1 3.92Å; L104-L128 HydrophobicContact CG-CD1 3.86Å; L104-L128 VanDerWaalsContact O-CA 3.23Å; L104-L128 WeakPolarHBondContact O-CA 3.3Å; L104-L128 PolarHBondContact O-N 2.98Å; L104-L128 VanDerWaalsContact O-N 3.13Å; L107-L128 HydrophobicContact CB-CD1 3.85Å; L107-L128 HydrophobicContact CB-CD2 4.22Å; L125-L128 HydrophobicContact CB-CB 4.15Å; L125-L128 HydrophobicContact CD1-CD2 4.13Å; L125-L128 VanDerWaalsContact O-CB 3.3Å; L125-L128 WeakPolarHBondContact O-CB 3.23Å; L125-L128 PolarHBondContact O-N 3Å; L125-L128 VanDerWaalsContact O-N 3.1Å; L128-L131 HydrophobicContact CD2-CB 3.85Å; L128-L131 HydrophobicContact CD2-CD1 4.38Å; L128-M149 HydrophobicContact CD2-CG 4.49Å; L128-M149 HydrophobicContact CD2-SD 3.51Å; L128-M149 VanDerWaalsContact CD2-SD 3.51Å; L128-N151 CarbonylContact O-C 3.51Å; L128-N151 VanDerWaalsContact O-O 3.13Å; L128-L152 HydrophobicContact CB-CD1 4.35Å; L128-L152 HydrophobicContact CD2-CD1 3.91Å; L128-L152 HydrophobicContact CG-CD1 4.16Å; L128-L152 VanDerWaalsContact O-CA 3.25Å; L128-L152 WeakPolarHBondContact O-CA 3.45Å; L128-L152 PolarHBondContact O-N 2.97Å
129	K	98.9	Very high	97.7	Very high	82 Å²	82	34.3 Å²	34.3	36%	0.357	20%	0.201	S	C	.	.			trans	-111.9	-31.8	178.3	-70.8	176.1	165.9	-102.9	0	112.3	R105 E153 A154	R105-K129 WeakPolarHBondContact O-CA 3.27Å; R105-K129 PolarHBondContact O-N 2.87Å; K129-E153 IonicContact NZ-OE1 2.72Å; K129-E153 PolarHBondContact NZ-OE1 3.43Å; K129-E153 WeakPolarHBondContact O-CA 3.15Å; K129-E153 PolarHBondContact O-N 3.43Å; K129-A154 PolarHBondContact O-N 3.38Å
130	L	98.9	Very high	98	Very high	60 Å²	60	37.6 Å²	37.6	31%	0.314	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.9	179.6	-170.3	159.6	0	0	0	109.9	R105 V106 L107 D132 A154	R105-L130 PolarHBondContact O-N 3.05Å; V106-L130 HydrophobicContact CG1-CB 4.45Å; V106-L130 HydrophobicContact CG1-CD2 4.22Å; V106-L130 HydrophobicContact CG2-CB 4.36Å; L107-L130 PolarHBondContact N-O 3.34Å; L130-D132 HydrophobicContact CD2-CB 3.98Å; L130-A154 WeakPolarHBondContact CA-O 3.12Å; L130-A154 HydrophobicContact CG-CB 4.32Å
131	L	98.9	Very high	98.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122	168.3	178.4	58.6	0	0	0	109.1	L107 L109 F122 L128 L133 F146 M149 L152 A154 L155 N156	L107-L131 HydrophobicContact CB-CD1 4.11Å; L107-L131 HydrophobicContact CD2-CD1 3.91Å; L107-L131 HydrophobicContact CG-CD1 3.97Å; L109-L131 HydrophobicContact CD1-CD1 4.43Å; F122-L131 HydrophobicContact CD1-CD2 4.3Å; F122-L131 HydrophobicContact CD2-CD2 4.5Å; F122-L131 HydrophobicContact CE1-CD1 4.11Å; F122-L131 HydrophobicContact CE1-CD2 4.13Å; F122-L131 HydrophobicContact CE2-CD2 4.33Å; F122-L131 HydrophobicContact CG-CD2 4.49Å; F122-L131 HydrophobicContact CZ-CD2 4.15Å; L128-L131 HydrophobicContact CD2-CB 3.85Å; L128-L131 HydrophobicContact CD2-CD1 4.38Å; L131-L133 HydrophobicContact CD1-CG 4.18Å; L131-L133 HydrophobicContact CD2-CD1 3.81Å; L131-L133 HydrophobicContact CD2-CG 4.35Å; L131-L133 HydrophobicContact CG-CD1 4.07Å; L131-L133 HydrophobicContact CG-CG 4.07Å; L131-F146 HydrophobicContact CD2-CD1 4.3Å; L131-F146 HydrophobicContact CD2-CE1 4.15Å; L131-M149 HydrophobicContact CD2-CE 3.68Å; L131-M149 HydrophobicContact CD2-SD 3.86Å; L131-L152 HydrophobicContact CB-CD1 3.94Å; L131-L152 HydrophobicContact CB-CD2 4.48Å; L131-A154 PolarHBondContact N-O 2.94Å; L131-A154 VanDerWaalsContact N-O 3.1Å; L131-L155 HydrophobicContact CB-CD1 3.98Å; L131-L155 HydrophobicContact CD2-CD1 3.9Å; L131-L155 HydrophobicContact CG-CD1 4Å; L131-N156 PolarHBondContact O-N 3.06Å
132	D	98.9	Very high	98.1	Very high	36 Å²	36	32.9 Å²	32.9	19%	0.193	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.7	175.8	-177.1	13.4	0	0	0	110.8	L107 K108 L109 G110 L130 G134 N156	L107-D132 PolarHBondContact O-N 3.03Å; K108-D132 HydrophobicContact CB-CB 4.47Å; K108-D132 HydrophobicContact CG-CB 4.25Å; L109-D132 CarbonylContact C-O 3.35Å; L109-D132 WeakPolarHBondContact CA-O 3.13Å; L109-D132 WeakPolarHBondContact CB-O 3.38Å; L109-D132 PolarHBondContact N-O 2.8Å; G110-D132 PolarHBondContact N-O 3.16Å; L130-D132 HydrophobicContact CD2-CB 3.98Å; D132-G134 PolarHBondContact OD1-N 2.85Å; D132-N156 HydrophobicContact CB-CB 4.46Å; D132-N156 WeakPolarHBondContact OD1-CB 3.39Å; D132-N156 PolarHBondContact OD1-ND2 3.21Å
133	L	98.9	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.			trans	-118.3	14.9	175.8	-70.1	165.8	0	0	0	111.1	L109 L114 I117 F122 L131 N136 L138 F146 N156 L157 N160	L109-L133 HydrophobicContact CB-CD2 3.88Å; L109-L133 HydrophobicContact CD1-CD2 3.88Å; L114-L133 HydrophobicContact CD1-CD2 3.77Å; I117-L133 HydrophobicContact CD1-CD1 4.38Å; F122-L133 HydrophobicContact CE2-CD1 4.24Å; F122-L133 HydrophobicContact CZ-CD1 3.82Å; F122-L133 HydrophobicContact CZ-CD2 4.04Å; F122-L133 HydrophobicContact CZ-CG 4.45Å; L131-L133 HydrophobicContact CD1-CG 4.18Å; L131-L133 HydrophobicContact CD2-CD1 3.81Å; L131-L133 HydrophobicContact CD2-CG 4.35Å; L131-L133 HydrophobicContact CG-CD1 4.07Å; L131-L133 HydrophobicContact CG-CG 4.07Å; L133-N136 PolarHBondContact O-ND2 2.91Å; L133-L138 HydrophobicContact CB-CD1 4.45Å; L133-L138 HydrophobicContact CD1-CD1 4.44Å; L133-F146 HydrophobicContact CD1-CE1 4.18Å; L133-N156 CarbonylContact C-O 3.46Å; L133-N156 WeakPolarHBondContact CA-O 3.48Å; L133-N156 WeakPolarHBondContact CB-O 3.19Å; L133-N156 PolarHBondContact N-O 3.13Å; L133-L157 HydrophobicContact CB-CD2 3.87Å; L133-L157 HydrophobicContact CD1-CD2 3.8Å; L133-N160 PolarHBondContact O-ND2 3.41Å
134	G	98.8	Very high	98	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	21%	0.21	C	C	.	.			trans	-63.8	152.1	-178.7	0	0	0	0	0	112.5	G110 A111 D132 N136 N156 S158	G110-G134 CarbonylContact C-O 3.48Å; G110-G134 WeakPolarHBondContact CA-O 3.47Å; A111-G134 PolarHBondContact N-O 2.89Å; D132-G134 PolarHBondContact OD1-N 2.85Å; G134-N136 PolarHBondContact O-ND2 3.15Å; G134-N156 PolarHBondContact N-O 3.36Å; G134-S158 CarbonylContact C-O 3.55Å; G134-S158 WeakPolarHBondContact CA-O 3.27Å
135	D	98.8	Very high	98.2	Very high	89 Å²	89	36.7 Å²	36.7	48%	0.476	20%	0.204	S	C	.	.	S	Bend	trans	57.2	59.7	-179	-165.2	26.4	0	0	0	111.8	A111 N112 S158 T159	A111-D135 CarbonylContact C-O 3.18Å; A111-D135 WeakPolarHBondContact CA-O 3.33Å; A111-D135 HydrophobicContact CB-CB 4.4Å; A111-D135 PolarHBondContact N-O 3.01Å; N112-D135 PolarHBondContact N-O 3.32Å; N112-D135 VanDerWaalsContact N-O 3.1Å; D135-S158 PolarHBondContact N-O 2.84Å; D135-T159 WeakPolarHBondContact CA-O 3.31Å; D135-T159 HydrophobicContact CB-CG2 4.43Å; D135-T159 PolarHBondContact N-O 3.05Å; D135-T159 VanDerWaalsContact N-O 3.16Å
136	N	98.9	Very high	98.2	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.027	21%	0.205	C	C	.	.	S	Bend	trans	-130.6	-171.8	173	-87	-78.8	0	0	0	109	L109 N112 R113 L114 L133 G134 L138 T159 N160	L109-N136 PolarHBondContact O-ND2 3.1Å; N112-N136 WeakPolarHBondContact CA-OD1 3.48Å; N112-N136 WeakPolarHBondContact CB-OD1 3.27Å; R113-N136 PolarHBondContact N-OD1 3.25Å; L114-N136 HydrophobicContact CB-CB 4.25Å; L114-N136 WeakPolarHBondContact CB-OD1 3.47Å; L114-N136 PolarHBondContact N-OD1 3.01Å; L133-N136 PolarHBondContact O-ND2 2.91Å; G134-N136 PolarHBondContact O-ND2 3.15Å; N136-L138 HydrophobicContact CB-CG 4.38Å; N136-T159 PolarHBondContact N-O 2.94Å; N136-N160 WeakPolarHBondContact CA-OD1 3.37Å; N136-N160 WeakPolarHBondContact CB-OD1 3.47Å; N136-N160 PolarHBondContact O-OD1 2.95Å
137	E	98.7	Very high	98.1	Very high	82 Å²	82	37.2 Å²	37.2	38%	0.383	20%	0.203	S	C	.	.			trans	-110	23.4	-176	-57.4	179	-162	0	0	112.1	L114 N115 T139 F161	L114-E137 CarbonylContact O-C 3.41Å; L114-E137 VanDerWaalsContact O-CA 3.27Å; L114-E137 WeakPolarHBondContact O-CA 3.28Å; L114-E137 PolarHBondContact O-N 3.12Å; N115-E137 WeakPolarHBondContact CA-O 3.43Å; N115-E137 HydrophobicContact CB-CB 4.17Å; E137-T139 PolarHBondContact O-N 3.29Å; E137-F161 HydrophobicContact CB-CD2 4.2Å; E137-F161 HydrophobicContact CB-CE2 4.17Å; E137-F161 HydrophobicContact CG-CE2 4.17Å
138	L	98.8	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.			trans	-67	129.3	-174.9	-61.1	176.9	0	0	0	111	L114 I117 L133 N136 L157 N160 F161 V162	L114-L138 HydrophobicContact CB-CD2 4.13Å; L114-L138 WeakPolarHBondContact O-CD2 3.42Å; L114-L138 PolarHBondContact O-N 2.73Å; L114-L138 VanDerWaalsContact O-N 3.13Å; I117-L138 HydrophobicContact CD1-CD1 4.08Å; I117-L138 HydrophobicContact CG1-CD1 4.48Å; I117-L138 HydrophobicContact CG1-CD2 4.09Å; I117-L138 HydrophobicContact CG2-CD2 4.02Å; L133-L138 HydrophobicContact CB-CD1 4.45Å; L133-L138 HydrophobicContact CD1-CD1 4.44Å; N136-L138 HydrophobicContact CB-CG 4.38Å; L138-L157 HydrophobicContact CD1-CD2 3.89Å; L138-N160 HydrophobicContact CB-CB 4.35Å; L138-N160 VanDerWaalsContact CB-OD1 3.27Å; L138-N160 WeakPolarHBondContact CB-OD1 3.25Å; L138-N160 WeakPolarHBondContact CG-OD1 3.39Å; L138-N160 PolarHBondContact N-OD1 3.19Å; L138-F161 CarbonylContact O-C 3.38Å; L138-F161 VanDerWaalsContact O-CA 3.25Å; L138-F161 WeakPolarHBondContact O-CA 3.35Å; L138-F161 PolarHBondContact O-N 2.79Å; L138-V162 HydrophobicContact CB-CG2 4.2Å; L138-V162 PolarHBondContact O-N 2.74Å
139	T	98.3	Very high	97.9	Very high	74 Å²	74	39.3 Å²	39.3	45%	0.454	21%	0.21	S	C	.	.			trans	-103.6	-21.4	-177	56.2	0	0	0	0	114.3	E137 F161 V162 G163	E137-T139 PolarHBondContact O-N 3.29Å; T139-F161 WeakPolarHBondContact CA-O 3.45Å; T139-F161 HydrophobicContact CG2-CB 4.18Å; T139-V162 WeakPolarHBondContact O-CA 3.36Å; T139-G163 PolarHBondContact O-N 2.58Å
140	R	97.3	Very high	97.8	Very high	126 Å²	126	37.8 Å²	37.8	48%	0.475	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.1	-176.8	62.9	-177.5	-178.8	-175.1	-2.2	111.1	D116 S164	D116-R140 IonicContact OD1-NE 2.7Å; D116-R140 IonicContact OD2-NH2 2.76Å; D116-R140 PolarHBondContact OD2-NH2 3.03Å; R140-S164 WeakPolarHBondContact CA-O 3.35Å
141	L	97.7	Very high	97.8	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	109.4	169.8	-57.5	178.7	0	0	0	109.3	I117 F146 L157 V162 S164 I165 A166 A169 F170	I117-L141 HydrophobicContact CD1-CD2 4.19Å; L141-F146 HydrophobicContact CD1-CE2 4.48Å; L141-F146 HydrophobicContact CD2-CE2 4.39Å; L141-F146 HydrophobicContact CD2-CZ 4.2Å; L141-L157 HydrophobicContact CD1-CD1 3.77Å; L141-L157 HydrophobicContact CD2-CD1 4.22Å; L141-L157 HydrophobicContact CD2-CD2 4.2Å; L141-V162 HydrophobicContact CD1-CG1 4.38Å; L141-V162 HydrophobicContact CD2-CG2 4.45Å; L141-V162 HydrophobicContact CG-CG1 4.04Å; L141-V162 HydrophobicContact CG-CG2 4.47Å; L141-S164 PolarHBondContact N-O 3.05Å; L141-I165 HydrophobicContact CB-CG2 4.39Å; L141-I165 HydrophobicContact CD1-CD1 4.35Å; L141-I165 HydrophobicContact CD1-CG1 4.09Å; L141-I165 HydrophobicContact CD1-CG2 4.45Å; L141-A166 VanDerWaalsContact O-CB 3.26Å; L141-A166 WeakPolarHBondContact O-CB 3.49Å; L141-A166 PolarHBondContact O-N 2.81Å; L141-A169 HydrophobicContact CB-CB 4Å; L141-F170 HydrophobicContact CD1-CE1 3.97Å; L141-F170 HydrophobicContact CD1-CZ 3.67Å
142	P	96.8	Very high	97.8	Very high	36 Å²	36	38 Å²	38	23%	0.234	21%	0.214	C	C	.	.			trans	-75	162.6	-179.8	24.8	-24.9	0	0	0	112.4	I117 A144 V145 A169	I117-P142 WeakPolarHBondContact O-CG 3.45Å; P142-A144 PolarHBondContact O-N 3Å; P142-V145 HydrophobicContact CG-CB 3.96Å; P142-V145 HydrophobicContact CG-CG2 4.05Å; P142-V145 WeakPolarHBondContact O-CB 3.45Å; P142-V145 WeakPolarHBondContact O-CG1 3.31Å; P142-V145 PolarHBondContact O-N 3.48Å; P142-A169 WeakPolarHBondContact O-CA 3.27Å; P142-A169 WeakPolarHBondContact O-CB 3.38Å
143	T	96.4	Very high	97.8	Very high	82 Å²	82	38.9 Å²	38.9	50%	0.503	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	137.1	177.8	-60.5	0	0	0	0	111	V145 P167	T143-V145 PolarHBondContact O-N 3.3Å; T143-V145 VanDerWaalsContact O-N 3.09Å; T143-P167 WeakPolarHBondContact CB-O 3.48Å; T143-P167 WeakPolarHBondContact CG2-O 3.13Å; T143-P167 PolarHBondContact OG1-O 3.19Å
144	A	96	Very high	97.8	Very high	27 Å²	27	39.8 Å²	39.8	22%	0.223	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	19	176	0	0	0	0	0	115.7	P142 F146 S147 G168	P142-A144 PolarHBondContact O-N 3Å; A144-F146 PolarHBondContact O-N 3.05Å; A144-S147 WeakPolarHBondContact O-CB 3.42Å; A144-S147 PolarHBondContact O-N 2.96Å; A144-S147 VanDerWaalsContact O-N 3.15Å; A144-S147 PolarHBondContact O-OG 2.62Å; A144-G168 PolarHBondContact N-O 3.32Å
145	V	97.8	Very high	97.8	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.2	-179.5	68.2	0	0	0	0	113.9	I117 P142 T143	I117-V145 HydrophobicContact CB-CG2 4.03Å; I117-V145 HydrophobicContact CD1-CG2 3.66Å; I117-V145 HydrophobicContact CG1-CG2 3.74Å; P142-V145 HydrophobicContact CG-CB 3.96Å; P142-V145 HydrophobicContact CG-CG2 4.05Å; P142-V145 WeakPolarHBondContact O-CB 3.45Å; P142-V145 WeakPolarHBondContact O-CG1 3.31Å; P142-V145 PolarHBondContact O-N 3.48Å; T143-V145 PolarHBondContact O-N 3.3Å; T143-V145 VanDerWaalsContact O-N 3.09Å
146	F	98	Very high	97.8	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	14.1	-178.5	-55	-54.4	0	0	0	114.1	I117 F122 L131 L133 L141 A144 D148 M149 L155 L157 F170 L173	I117-F146 HydrophobicContact CD1-CE1 3.92Å; I117-F146 HydrophobicContact CD1-CZ 3.9Å; F122-F146 HydrophobicContact CD2-CD1 4.05Å; F122-F146 HydrophobicContact CD2-CE1 4.2Å; F122-F146 HydrophobicContact CE2-CD1 4.23Å; F122-F146 AromaticContact CE2-CE1 3.91Å; F122-F146 HydrophobicContact CE2-CE1 3.91Å; L131-F146 HydrophobicContact CD2-CD1 4.3Å; L131-F146 HydrophobicContact CD2-CE1 4.15Å; L133-F146 HydrophobicContact CD1-CE1 4.18Å; L141-F146 HydrophobicContact CD1-CE2 4.48Å; L141-F146 HydrophobicContact CD2-CE2 4.39Å; L141-F146 HydrophobicContact CD2-CZ 4.2Å; A144-F146 PolarHBondContact O-N 3.05Å; F146-D148 VanDerWaalsContact C-N 3.29Å; F146-D148 PolarHBondContact O-N 2.86Å; F146-M149 HydrophobicContact CB-CE 3.47Å; F146-M149 VanDerWaalsContact CB-CE 3.47Å; F146-M149 HydrophobicContact CD1-CE 3.33Å; F146-M149 HydrophobicContact CE1-CE 4.37Å; F146-M149 HydrophobicContact CG-CE 3.75Å; F146-M149 PolarHBondContact O-N 3.1Å; F146-L155 HydrophobicContact CD2-CD2 4.07Å; F146-L155 HydrophobicContact CE2-CD2 3.87Å; F146-L155 HydrophobicContact CZ-CD2 4.15Å; F146-L157 HydrophobicContact CE2-CD1 4.22Å; F146-L157 HydrophobicContact CZ-CD1 4.09Å; F146-L157 HydrophobicContact CZ-CD2 4.32Å; F146-F170 AromaticContact CD2-CD1 3.84Å; F146-F170 HydrophobicContact CD2-CD1 3.84Å; F146-F170 HydrophobicContact CD2-CE1 4.18Å; F146-F170 HydrophobicContact CE2-CD1 4.02Å; F146-F170 AromaticContact CE2-CE1 3.87Å; F146-F170 HydrophobicContact CE2-CE1 3.87Å; F146-L173 HydrophobicContact CB-CD1 3.81Å; F146-L173 HydrophobicContact CB-CD2 3.93Å; F146-L173 HydrophobicContact CB-CG 4.02Å; F146-L173 HydrophobicContact CD2-CD1 4.06Å; F146-L173 HydrophobicContact CG-CD1 4.22Å
147	S	96.7	Very high	97.8	Very high	42 Å²	42	36.9 Å²	36.9	29%	0.294	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.6	-166.2	58.7	0	0	0	0	115.6	A144 M149 T171	A144-S147 WeakPolarHBondContact O-CB 3.42Å; A144-S147 PolarHBondContact O-N 2.96Å; A144-S147 VanDerWaalsContact O-N 3.15Å; A144-S147 PolarHBondContact O-OG 2.62Å; S147-M149 VanDerWaalsContact C-N 3.29Å; S147-M149 PolarHBondContact O-N 3.4Å; S147-T171 WeakPolarHBondContact CA-O 3.46Å
148	D	95.9	Very high	97.8	Very high	73 Å²	73	33.5 Å²	33.5	39%	0.39	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.4	-176.3	-80.7	18.6	0	0	0	113.2	S123 G124 G126 F146 A150	S123-D148 WeakPolarHBondContact CA-OD2 3.12Å; G124-D148 PolarHBondContact N-OD2 2.99Å; G124-D148 VanDerWaalsContact N-OD2 3.15Å; G126-D148 VanDerWaalsContact CA-O 3.31Å; G126-D148 WeakPolarHBondContact CA-O 3.18Å; F146-D148 VanDerWaalsContact C-N 3.29Å; F146-D148 PolarHBondContact O-N 2.86Å; D148-A150 VanDerWaalsContact C-N 3.32Å; D148-A150 PolarHBondContact O-N 2.95Å; D148-A150 VanDerWaalsContact O-N 3.16Å
149	M	97.3	Very high	97.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.212	C	C	.	.			trans	-93	55.6	-174.7	-58.2	-175.6	-69.7	0	0	112.2	F122 L125 L128 L131 F146 S147 N151 L152 L173	F122-M149 HydrophobicContact CB-CE 4.44Å; F122-M149 HydrophobicContact CB-SD 4.24Å; L125-M149 HydrophobicContact CB-CG 4.07Å; L128-M149 HydrophobicContact CD2-CG 4.49Å; L128-M149 HydrophobicContact CD2-SD 3.51Å; L128-M149 VanDerWaalsContact CD2-SD 3.51Å; L131-M149 HydrophobicContact CD2-CE 3.68Å; L131-M149 HydrophobicContact CD2-SD 3.86Å; F146-M149 HydrophobicContact CB-CE 3.47Å; F146-M149 VanDerWaalsContact CB-CE 3.47Å; F146-M149 HydrophobicContact CD1-CE 3.33Å; F146-M149 HydrophobicContact CE1-CE 4.37Å; F146-M149 HydrophobicContact CG-CE 3.75Å; F146-M149 PolarHBondContact O-N 3.1Å; S147-M149 VanDerWaalsContact C-N 3.29Å; S147-M149 PolarHBondContact O-N 3.4Å; M149-N151 PolarHBondContact O-N 3.04Å; M149-L152 HydrophobicContact CB-CB 4.03Å; M149-L152 HydrophobicContact CE-CD2 4.02Å; M149-L152 VanDerWaalsContact O-CB 3.32Å; M149-L152 WeakPolarHBondContact O-CB 3.4Å; M149-L152 PolarHBondContact O-N 3.18Å; M149-L152 HydrophobicContact SD-CD1 4.23Å; M149-L152 HydrophobicContact SD-CD2 4.4Å; M149-L173 HydrophobicContact CB-CD2 4.22Å
150	A	96.6	Very high	97.8	Very high	51 Å²	51	33.3 Å²	33.3	42%	0.421	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14	-176.5	0	0	0	0	0	115	D148	D148-A150 VanDerWaalsContact C-N 3.32Å; D148-A150 PolarHBondContact O-N 2.95Å; D148-A150 VanDerWaalsContact O-N 3.16Å
151	N	98.5	Very high	97.9	Very high	63 Å²	63	32 Å²	32	34%	0.337	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	5.5	176.9	-70.4	-60.1	0	0	0	114.6	G126 L128 M149 E153 K175	G126-N151 WeakPolarHBondContact O-CB 3.36Å; G126-N151 PolarHBondContact O-ND2 3.16Å; L128-N151 CarbonylContact O-C 3.51Å; L128-N151 VanDerWaalsContact O-O 3.13Å; M149-N151 PolarHBondContact O-N 3.04Å; N151-E153 PolarHBondContact O-N 2.76Å; N151-K175 PolarHBondContact OD1-NZ 3.38Å
152	L	98.8	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.19	C	C	.	.			trans	-63.2	131.8	-177.9	-159.6	71.3	0	0	0	110.5	L128 L131 M149 L155 L173 K175 V176	L128-L152 HydrophobicContact CB-CD1 4.35Å; L128-L152 HydrophobicContact CD2-CD1 3.91Å; L128-L152 HydrophobicContact CG-CD1 4.16Å; L128-L152 VanDerWaalsContact O-CA 3.25Å; L128-L152 WeakPolarHBondContact O-CA 3.45Å; L128-L152 PolarHBondContact O-N 2.97Å; L131-L152 HydrophobicContact CB-CD1 3.94Å; L131-L152 HydrophobicContact CB-CD2 4.48Å; M149-L152 HydrophobicContact CB-CB 4.03Å; M149-L152 HydrophobicContact CE-CD2 4.02Å; M149-L152 VanDerWaalsContact O-CB 3.32Å; M149-L152 WeakPolarHBondContact O-CB 3.4Å; M149-L152 PolarHBondContact O-N 3.18Å; M149-L152 HydrophobicContact SD-CD1 4.23Å; M149-L152 HydrophobicContact SD-CD2 4.4Å; L152-L155 HydrophobicContact CD2-CB 3.96Å; L152-L155 HydrophobicContact CD2-CD1 4.37Å; L152-L155 HydrophobicContact CD2-CD2 4.44Å; L152-L155 HydrophobicContact CD2-CG 4.49Å; L152-L173 HydrophobicContact CB-CD2 4.05Å; L152-L173 HydrophobicContact CD2-CD1 4.37Å; L152-L173 HydrophobicContact CD2-CD2 3.93Å; L152-K175 CarbonylContact O-C 3.29Å; L152-K175 WeakPolarHBondContact O-CB 3.32Å; L152-V176 HydrophobicContact CB-CG2 3.87Å; L152-V176 HydrophobicContact CD2-CG2 4Å; L152-V176 HydrophobicContact CG-CG2 4.06Å; L152-V176 WeakPolarHBondContact O-CA 3.32Å; L152-V176 WeakPolarHBondContact O-CG2 3.36Å; L152-V176 PolarHBondContact O-N 3.01Å
153	E	98.9	Very high	97.9	Very high	55 Å²	55	32 Å²	32	26%	0.257	20%	0.196	S	C	.	.			trans	-111.8	-32.9	179.8	-59.2	-169.6	-141.3	0	0	111.5	K129 N151 K177 E178	K129-E153 IonicContact NZ-OE1 2.72Å; K129-E153 PolarHBondContact NZ-OE1 3.43Å; K129-E153 WeakPolarHBondContact O-CA 3.15Å; K129-E153 PolarHBondContact O-N 3.43Å; N151-E153 PolarHBondContact O-N 2.76Å; E153-K177 PolarHBondContact O-N 3.29Å; E153-K177 IonicContact OE2-NZ 3.29Å; E153-K177 PolarHBondContact OE2-NZ 3.48Å; E153-E178 PolarHBondContact O-N 2.97Å
154	A	98.9	Very high	97.9	Very high	19 Å²	19	31.2 Å²	31.2	16%	0.157	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.1	179.2	0	0	0	0	0	111.5	K129 L130 L131 E178	K129-A154 PolarHBondContact O-N 3.38Å; L130-A154 WeakPolarHBondContact CA-O 3.12Å; L130-A154 HydrophobicContact CG-CB 4.32Å; L131-A154 PolarHBondContact N-O 2.94Å; L131-A154 VanDerWaalsContact N-O 3.1Å; A154-E178 WeakPolarHBondContact CA-O 3.25Å; A154-E178 HydrophobicContact CB-CB 4.3Å
155	L	98.9	Very high	97.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117	176.9	178.3	55.7	0	0	0	109.7	L131 F146 L152 L157 F170 L173 E178 L179 H180	L131-L155 HydrophobicContact CB-CD1 3.98Å; L131-L155 HydrophobicContact CD2-CD1 3.9Å; L131-L155 HydrophobicContact CG-CD1 4Å; F146-L155 HydrophobicContact CD2-CD2 4.07Å; F146-L155 HydrophobicContact CE2-CD2 3.87Å; F146-L155 HydrophobicContact CZ-CD2 4.15Å; L152-L155 HydrophobicContact CD2-CB 3.96Å; L152-L155 HydrophobicContact CD2-CD1 4.37Å; L152-L155 HydrophobicContact CD2-CD2 4.44Å; L152-L155 HydrophobicContact CD2-CG 4.49Å; L155-L157 HydrophobicContact CD1-CD1 4.34Å; L155-L157 HydrophobicContact CD1-CG 4.17Å; L155-L157 HydrophobicContact CD2-CD1 3.85Å; L155-L157 HydrophobicContact CG-CD1 3.95Å; L155-L157 HydrophobicContact CG-CG 4.13Å; L155-F170 HydrophobicContact CD2-CD1 4.27Å; L155-F170 HydrophobicContact CD2-CE1 4.03Å; L155-L173 HydrophobicContact CD2-CD1 4.03Å; L155-E178 PolarHBondContact N-O 3.3Å; L155-L179 HydrophobicContact CB-CD1 4.08Å; L155-L179 HydrophobicContact CD2-CD1 3.95Å; L155-L179 HydrophobicContact CG-CD1 3.97Å; L155-H180 PolarHBondContact O-N 3.18Å
156	N	98.9	Very high	97.8	Very high	37 Å²	37	32.4 Å²	32.4	20%	0.198	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.3	173.7	-175.3	24.5	0	0	0	111.3	L131 D132 L133 G134 S158 H180	L131-N156 PolarHBondContact O-N 3.06Å; D132-N156 HydrophobicContact CB-CB 4.46Å; D132-N156 WeakPolarHBondContact OD1-CB 3.39Å; D132-N156 PolarHBondContact OD1-ND2 3.21Å; L133-N156 CarbonylContact C-O 3.46Å; L133-N156 WeakPolarHBondContact CA-O 3.48Å; L133-N156 WeakPolarHBondContact CB-O 3.19Å; L133-N156 PolarHBondContact N-O 3.13Å; G134-N156 PolarHBondContact N-O 3.36Å; N156-S158 PolarHBondContact ND2-OG 3.18Å; N156-S158 VanDerWaalsContact OD1-CB 3.31Å; N156-S158 WeakPolarHBondContact OD1-CB 3.23Å; N156-S158 PolarHBondContact OD1-N 2.9Å; N156-S158 PolarHBondContact OD1-OG 3.16Å; N156-H180 HydrophobicContact CB-CB 4.49Å; N156-H180 WeakPolarHBondContact OD1-CB 3.13Å
157	L	98.9	Very high	97.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.226	C	C	.	.			trans	-126.9	17.6	175	-71.8	162.5	0	0	0	110.8	L133 L138 L141 F146 L155 N160 F170 L179 H180 L181 N184	L133-L157 HydrophobicContact CB-CD2 3.87Å; L133-L157 HydrophobicContact CD1-CD2 3.8Å; L138-L157 HydrophobicContact CD1-CD2 3.89Å; L141-L157 HydrophobicContact CD1-CD1 3.77Å; L141-L157 HydrophobicContact CD2-CD1 4.22Å; L141-L157 HydrophobicContact CD2-CD2 4.2Å; F146-L157 HydrophobicContact CE2-CD1 4.22Å; F146-L157 HydrophobicContact CZ-CD1 4.09Å; F146-L157 HydrophobicContact CZ-CD2 4.32Å; L155-L157 HydrophobicContact CD1-CD1 4.34Å; L155-L157 HydrophobicContact CD1-CG 4.17Å; L155-L157 HydrophobicContact CD2-CD1 3.85Å; L155-L157 HydrophobicContact CG-CD1 3.95Å; L155-L157 HydrophobicContact CG-CG 4.13Å; L157-N160 PolarHBondContact O-ND2 3.03Å; L157-F170 HydrophobicContact CD1-CE1 4.28Å; L157-L179 HydrophobicContact CD1-CD1 4.37Å; L157-H180 CarbonylContact C-O 3.54Å; L157-H180 WeakPolarHBondContact CA-O 3.44Å; L157-H180 WeakPolarHBondContact CB-O 3.36Å; L157-H180 PolarHBondContact N-O 3.27Å; L157-L181 HydrophobicContact CB-CD2 3.81Å; L157-L181 HydrophobicContact CD1-CD2 4.08Å; L157-N184 PolarHBondContact O-ND2 3.44Å
158	S	98.8	Very high	97.6	Very high	12 Å²	12	35.2 Å²	35.2	8%	0.084	22%	0.221	C	C	.	.			trans	-64.2	157	-179.4	57.4	0	0	0	0	112.5	G134 D135 N156 N160 H180 Q182	G134-S158 CarbonylContact C-O 3.55Å; G134-S158 WeakPolarHBondContact CA-O 3.27Å; D135-S158 PolarHBondContact N-O 2.84Å; N156-S158 PolarHBondContact ND2-OG 3.18Å; N156-S158 VanDerWaalsContact OD1-CB 3.31Å; N156-S158 WeakPolarHBondContact OD1-CB 3.23Å; N156-S158 PolarHBondContact OD1-N 2.9Å; N156-S158 PolarHBondContact OD1-OG 3.16Å; S158-N160 PolarHBondContact O-N 2.88Å; S158-N160 PolarHBondContact O-ND2 2.76Å; S158-H180 PolarHBondContact N-O 3.44Å; S158-Q182 CarbonylContact C-O 3.13Å; S158-Q182 WeakPolarHBondContact CA-O 3.42Å; S158-Q182 WeakPolarHBondContact CB-O 3.34Å
159	T	98.8	Very high	97.6	Very high	63 Å²	63	31.7 Å²	31.7	39%	0.387	20%	0.202	S	C	.	.	S	Bend	trans	54.3	57.7	176	-44.5	0	0	0	0	111	D135 N136 Q182 D183	D135-T159 WeakPolarHBondContact CA-O 3.31Å; D135-T159 HydrophobicContact CB-CG2 4.43Å; D135-T159 PolarHBondContact N-O 3.05Å; D135-T159 VanDerWaalsContact N-O 3.16Å; N136-T159 PolarHBondContact N-O 2.94Å; T159-Q182 PolarHBondContact N-O 2.96Å; T159-D183 WeakPolarHBondContact CA-O 3.27Å; T159-D183 PolarHBondContact N-O 3.14Å
160	N	98.8	Very high	97.6	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.032	20%	0.202	C	C	.	.	S	Bend	trans	-129.9	-171.7	174	-87.8	-92.2	0	0	0	108.2	L133 N136 L138 L157 S158 V162 D183 N184	L133-N160 PolarHBondContact O-ND2 3.41Å; N136-N160 WeakPolarHBondContact CA-OD1 3.37Å; N136-N160 WeakPolarHBondContact CB-OD1 3.47Å; N136-N160 PolarHBondContact O-OD1 2.95Å; L138-N160 HydrophobicContact CB-CB 4.35Å; L138-N160 VanDerWaalsContact CB-OD1 3.27Å; L138-N160 WeakPolarHBondContact CB-OD1 3.25Å; L138-N160 WeakPolarHBondContact CG-OD1 3.39Å; L138-N160 PolarHBondContact N-OD1 3.19Å; L157-N160 PolarHBondContact O-ND2 3.03Å; S158-N160 PolarHBondContact O-N 2.88Å; S158-N160 PolarHBondContact O-ND2 2.76Å; N160-V162 HydrophobicContact CB-CG2 4.07Å; N160-D183 PolarHBondContact N-O 3Å; N160-N184 WeakPolarHBondContact CA-OD1 3.45Å; N160-N184 WeakPolarHBondContact CB-OD1 3.36Å; N160-N184 PolarHBondContact O-OD1 3.15Å
161	F	98.6	Very high	97.6	Very high	100 Å²	100	32 Å²	32	44%	0.439	20%	0.199	S	C	.	.			trans	-108.6	28.1	176.1	-56.5	-63.8	0	0	0	112.2	E137 L138 T139 G163	E137-F161 HydrophobicContact CB-CD2 4.2Å; E137-F161 HydrophobicContact CB-CE2 4.17Å; E137-F161 HydrophobicContact CG-CE2 4.17Å; L138-F161 CarbonylContact O-C 3.38Å; L138-F161 VanDerWaalsContact O-CA 3.25Å; L138-F161 WeakPolarHBondContact O-CA 3.35Å; L138-F161 PolarHBondContact O-N 2.79Å; T139-F161 WeakPolarHBondContact CA-O 3.45Å; T139-F161 HydrophobicContact CG2-CB 4.18Å; F161-G163 PolarHBondContact O-N 3.29Å
162	V	98.4	Very high	97.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.199	C	C	.	.			trans	-66.9	106.2	-172.3	-178.2	0	0	0	0	109.7	L138 T139 L141 N160 I165 N184 Q185 L186	L138-V162 HydrophobicContact CB-CG2 4.2Å; L138-V162 PolarHBondContact O-N 2.74Å; T139-V162 WeakPolarHBondContact O-CA 3.36Å; L141-V162 HydrophobicContact CD1-CG1 4.38Å; L141-V162 HydrophobicContact CD2-CG2 4.45Å; L141-V162 HydrophobicContact CG-CG1 4.04Å; L141-V162 HydrophobicContact CG-CG2 4.47Å; N160-V162 HydrophobicContact CB-CG2 4.07Å; V162-I165 HydrophobicContact CG1-CG1 4.21Å; V162-N184 HydrophobicContact CB-CB 4.35Å; V162-N184 VanDerWaalsContact CB-OD1 3.23Å; V162-N184 WeakPolarHBondContact CB-OD1 3.45Å; V162-N184 WeakPolarHBondContact CG2-OD1 3.46Å; V162-N184 PolarHBondContact N-OD1 3.09Å; V162-Q185 CarbonylContact O-C 3.2Å; V162-Q185 VanDerWaalsContact O-C 3.29Å; V162-Q185 WeakPolarHBondContact O-CA 3.28Å; V162-Q185 PolarHBondContact O-N 3.41Å; V162-L186 HydrophobicContact CG1-CD2 4.02Å; V162-L186 PolarHBondContact O-N 3.06Å
163	G	97.2	Very high	97.4	Very high	36 Å²	36	30.6 Å²	30.6	37%	0.371	20%	0.199	S	C	.	.			trans	-95.6	-20.1	175.5	0	0	0	0	0	113.4	T139 F161	T139-G163 PolarHBondContact O-N 2.58Å; F161-G163 PolarHBondContact O-N 3.29Å
164	S	95.3	Very high	97.2	Very high	67 Å²	67	30.8 Å²	30.8	47%	0.469	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	141.4	-177.1	63.2	0	0	0	0	113	R140 L141	R140-S164 WeakPolarHBondContact CA-O 3.35Å; L141-S164 PolarHBondContact N-O 3.05Å
165	I	97	Very high	97.2	Very high	27 Å²	27	34.8 Å²	34.8	14%	0.138	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.6	173.8	-55.9	179.8	0	0	0	106.7	L141 V162 A169 F170 L181 L186 P193 F194	L141-I165 HydrophobicContact CB-CG2 4.39Å; L141-I165 HydrophobicContact CD1-CD1 4.35Å; L141-I165 HydrophobicContact CD1-CG1 4.09Å; L141-I165 HydrophobicContact CD1-CG2 4.45Å; V162-I165 HydrophobicContact CG1-CG1 4.21Å; I165-A169 HydrophobicContact CG2-CB 3.64Å; I165-F170 HydrophobicContact CD1-CE2 4.06Å; I165-F170 HydrophobicContact CD1-CZ 4.21Å; I165-F170 HydrophobicContact CG2-CD2 4.34Å; I165-F170 HydrophobicContact CG2-CE2 3.74Å; I165-F170 HydrophobicContact CG2-CZ 4.29Å; I165-L181 HydrophobicContact CD1-CD1 4.1Å; I165-L186 HydrophobicContact CD1-CD1 4.13Å; I165-L186 HydrophobicContact CD1-CD2 3.91Å; I165-L186 HydrophobicContact CG1-CD2 3.79Å; I165-P193 HydrophobicContact CB-CB 4.19Å; I165-P193 HydrophobicContact CG2-CB 3.89Å; I165-F194 HydrophobicContact CD1-CE1 4.21Å; I165-F194 HydrophobicContact CD1-CZ 4.44Å
166	A	95.4	Very high	97.2	Very high	27 Å²	27	34.8 Å²	34.8	22%	0.223	22%	0.224	C	C	.	.			trans	-66.4	150.4	179.1	0	0	0	0	0	110.9	L141 G168 A169	L141-A166 VanDerWaalsContact O-CB 3.26Å; L141-A166 WeakPolarHBondContact O-CB 3.49Å; L141-A166 PolarHBondContact O-N 2.81Å; A166-G168 PolarHBondContact O-N 2.98Å; A166-A169 VanDerWaalsContact O-CB 3.28Å; A166-A169 WeakPolarHBondContact O-CB 3.1Å; A166-A169 PolarHBondContact O-N 2.84Å
167	P	94	Very high	97.2	Very high	83 Å²	83	37 Å²	37	54%	0.539	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	129.6	170.6	-25.9	35.1	0	0	0	111	T143 A169	T143-P167 WeakPolarHBondContact CB-O 3.48Å; T143-P167 WeakPolarHBondContact CG2-O 3.13Å; T143-P167 PolarHBondContact OG1-O 3.19Å; P167-A169 VanDerWaalsContact C-N 3.3Å; P167-A169 PolarHBondContact O-N 3.29Å
168	G	94.9	Very high	97.1	Very high	18 Å²	18	41.2 Å²	41.2	19%	0.186	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	17.1	-178.6	0	0	0	0	0	115	A144 A166 F170 T171	A144-G168 PolarHBondContact N-O 3.32Å; A166-G168 PolarHBondContact O-N 2.98Å; G168-F170 PolarHBondContact O-N 2.91Å; G168-T171 VanDerWaalsContact CA-OG1 3.26Å; G168-T171 WeakPolarHBondContact CA-OG1 3.37Å; G168-T171 VanDerWaalsContact O-CB 3.3Å; G168-T171 WeakPolarHBondContact O-CB 3.35Å; G168-T171 PolarHBondContact O-N 2.99Å; G168-T171 VanDerWaalsContact O-N 3.08Å; G168-T171 PolarHBondContact O-OG1 3.06Å
169	A	97.2	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-37.4	173.1	0	0	0	0	0	112.6	L141 P142 I165 A166 P167	L141-A169 HydrophobicContact CB-CB 4Å; P142-A169 WeakPolarHBondContact O-CA 3.27Å; P142-A169 WeakPolarHBondContact O-CB 3.38Å; I165-A169 HydrophobicContact CG2-CB 3.64Å; A166-A169 VanDerWaalsContact O-CB 3.28Å; A166-A169 WeakPolarHBondContact O-CB 3.1Å; A166-A169 PolarHBondContact O-N 2.84Å; P167-A169 VanDerWaalsContact C-N 3.3Å; P167-A169 PolarHBondContact O-N 3.29Å
170	F	97.7	Very high	97.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	17.1	178	-55.3	-63.5	0	0	0	114.1	L141 F146 L155 L157 I165 G168 G172 L173 L179 L181 P193 F194 L197	L141-F170 HydrophobicContact CD1-CE1 3.97Å; L141-F170 HydrophobicContact CD1-CZ 3.67Å; F146-F170 AromaticContact CD2-CD1 3.84Å; F146-F170 HydrophobicContact CD2-CD1 3.84Å; F146-F170 HydrophobicContact CD2-CE1 4.18Å; F146-F170 HydrophobicContact CE2-CD1 4.02Å; F146-F170 AromaticContact CE2-CE1 3.87Å; F146-F170 HydrophobicContact CE2-CE1 3.87Å; L155-F170 HydrophobicContact CD2-CD1 4.27Å; L155-F170 HydrophobicContact CD2-CE1 4.03Å; L157-F170 HydrophobicContact CD1-CE1 4.28Å; I165-F170 HydrophobicContact CD1-CE2 4.06Å; I165-F170 HydrophobicContact CD1-CZ 4.21Å; I165-F170 HydrophobicContact CG2-CD2 4.34Å; I165-F170 HydrophobicContact CG2-CE2 3.74Å; I165-F170 HydrophobicContact CG2-CZ 4.29Å; G168-F170 PolarHBondContact O-N 2.91Å; F170-G172 PolarHBondContact O-N 3.04Å; F170-L173 HydrophobicContact CB-CD1 4.11Å; F170-L173 HydrophobicContact CD1-CD1 3.85Å; F170-L173 HydrophobicContact CG-CD1 4.45Å; F170-L173 WeakPolarHBondContact O-CB 3.42Å; F170-L173 PolarHBondContact O-N 2.98Å; F170-L179 HydrophobicContact CE1-CD1 4.29Å; F170-L179 HydrophobicContact CE1-CD2 4.24Å; F170-L179 HydrophobicContact CE2-CD2 4.22Å; F170-L179 HydrophobicContact CZ-CD1 4.49Å; F170-L179 HydrophobicContact CZ-CD2 3.93Å; F170-L181 HydrophobicContact CZ-CD1 4.38Å; F170-P193 WeakPolarHBondContact CD2-O 3.4Å; F170-F194 HydrophobicContact CD2-CD1 4.23Å; F170-F194 AromaticContact CE2-CD1 3.86Å; F170-F194 HydrophobicContact CE2-CD1 3.86Å; F170-F194 AromaticContact CE2-CE1 3.89Å; F170-F194 HydrophobicContact CE2-CE1 3.89Å; F170-L197 HydrophobicContact CB-CD2 3.98Å; F170-L197 HydrophobicContact CB-CG 4.2Å; F170-L197 HydrophobicContact CD2-CD1 4.22Å; F170-L197 HydrophobicContact CG-CD1 4.31Å; F170-L197 HydrophobicContact CG-CD2 4.42Å
171	T	96.5	Very high	97.1	Very high	57 Å²	57	39.5 Å²	39.5	35%	0.35	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	135.5	175.2	-59.4	0	0	0	0	109.8	S147 G168	S147-T171 WeakPolarHBondContact CA-O 3.46Å; G168-T171 VanDerWaalsContact CA-OG1 3.26Å; G168-T171 WeakPolarHBondContact CA-OG1 3.37Å; G168-T171 VanDerWaalsContact O-CB 3.3Å; G168-T171 WeakPolarHBondContact O-CB 3.35Å; G168-T171 PolarHBondContact O-N 2.99Å; G168-T171 VanDerWaalsContact O-N 3.08Å; G168-T171 PolarHBondContact O-OG1 3.06Å
172	G	94.8	Very high	97	Very high	33 Å²	33	36.4 Å²	36.4	34%	0.34	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-15.2	179.3	0	0	0	0	0	115.1	F170 A174	F170-G172 PolarHBondContact O-N 3.04Å; G172-A174 PolarHBondContact O-N 3.31Å
173	L	97.7	Very high	97	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	25%	0.245	C	C	.	.			trans	-83.3	46.2	-176.1	-61.8	-169.6	0	0	0	114.3	F146 M149 L152 L155 F170 K175 V176 L197	F146-L173 HydrophobicContact CB-CD1 3.81Å; F146-L173 HydrophobicContact CB-CD2 3.93Å; F146-L173 HydrophobicContact CB-CG 4.02Å; F146-L173 HydrophobicContact CD2-CD1 4.06Å; F146-L173 HydrophobicContact CG-CD1 4.22Å; M149-L173 HydrophobicContact CB-CD2 4.22Å; L152-L173 HydrophobicContact CB-CD2 4.05Å; L152-L173 HydrophobicContact CD2-CD1 4.37Å; L152-L173 HydrophobicContact CD2-CD2 3.93Å; L155-L173 HydrophobicContact CD2-CD1 4.03Å; F170-L173 HydrophobicContact CB-CD1 4.11Å; F170-L173 HydrophobicContact CD1-CD1 3.85Å; F170-L173 HydrophobicContact CG-CD1 4.45Å; F170-L173 WeakPolarHBondContact O-CB 3.42Å; F170-L173 PolarHBondContact O-N 2.98Å; L173-K175 PolarHBondContact O-N 2.98Å; L173-K175 VanDerWaalsContact O-N 3.11Å; L173-V176 HydrophobicContact CB-CB 4.41Å; L173-V176 HydrophobicContact CB-CG2 3.74Å; L173-V176 HydrophobicContact CD1-CG2 4.11Å; L173-V176 HydrophobicContact CD2-CG2 4.24Å; L173-V176 HydrophobicContact CG-CG2 4.26Å; L173-V176 PolarHBondContact O-N 3.45Å; L173-L197 HydrophobicContact CB-CD2 3.7Å; L173-L197 HydrophobicContact CD1-CD2 4.39Å
174	A	95	Very high	97.1	Very high	60 Å²	60	38.7 Å²	38.7	50%	0.496	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.9	-174.4	0	0	0	0	0	114.6	G172 A199	G172-A174 PolarHBondContact O-N 3.31Å; A174-A199 VanDerWaalsContact O-CB 3.28Å; A174-A199 WeakPolarHBondContact O-CB 3.26Å
175	K	98.4	Very high	97.2	Very high	103 Å²	103	39.7 Å²	39.7	45%	0.448	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-2.2	-177.8	-65.3	-168.4	-171.5	173.1	0	114.5	N151 L152 L173 K177	N151-K175 PolarHBondContact OD1-NZ 3.38Å; L152-K175 CarbonylContact O-C 3.29Å; L152-K175 WeakPolarHBondContact O-CB 3.32Å; L173-K175 PolarHBondContact O-N 2.98Å; L173-K175 VanDerWaalsContact O-N 3.11Å; K175-K177 PolarHBondContact O-N 2.86Å
176	V	98.7	Very high	97.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	22%	0.22	C	C	.	.			trans	-66.6	125.7	-179.3	172.3	0	0	0	0	109.3	L152 L173 E178 L197 A199 L200	L152-V176 HydrophobicContact CB-CG2 3.87Å; L152-V176 HydrophobicContact CD2-CG2 4Å; L152-V176 HydrophobicContact CG-CG2 4.06Å; L152-V176 WeakPolarHBondContact O-CA 3.32Å; L152-V176 WeakPolarHBondContact O-CG2 3.36Å; L152-V176 PolarHBondContact O-N 3.01Å; L173-V176 HydrophobicContact CB-CB 4.41Å; L173-V176 HydrophobicContact CB-CG2 3.74Å; L173-V176 HydrophobicContact CD1-CG2 4.11Å; L173-V176 HydrophobicContact CD2-CG2 4.24Å; L173-V176 HydrophobicContact CG-CG2 4.26Å; L173-V176 PolarHBondContact O-N 3.45Å; V176-E178 WeakPolarHBondContact CG1-O 3.47Å; V176-L197 HydrophobicContact CB-CD2 4.05Å; V176-L197 HydrophobicContact CG1-CD2 4.35Å; V176-A199 CarbonylContact O-C 3.43Å; V176-L200 HydrophobicContact CG1-CD1 3.88Å; V176-L200 WeakPolarHBondContact O-CA 3.49Å; V176-L200 PolarHBondContact O-N 2.88Å
177	K	98.5	Very high	97.2	Very high	82 Å²	82	38.7 Å²	38.7	36%	0.357	22%	0.224	S	C	.	.			trans	-103.6	-31	178.6	-64.4	168.4	-171.7	161.4	0	111.2	E153 K175 K201 L202	E153-K177 PolarHBondContact O-N 3.29Å; E153-K177 IonicContact OE2-NZ 3.29Å; E153-K177 PolarHBondContact OE2-NZ 3.48Å; K175-K177 PolarHBondContact O-N 2.86Å; K177-K201 HydrophobicContact CB-CD 4.39Å; K177-K201 HydrophobicContact CG-CD 4.43Å; K177-K201 WeakPolarHBondContact O-CA 3.41Å; K177-K201 PolarHBondContact O-N 3.3Å; K177-L202 PolarHBondContact O-N 2.79Å
178	E	98.4	Very high	96.9	Very high	90 Å²	90	37 Å²	37	42%	0.421	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.7	-175.4	-61	179.1	-172.4	0	0	109.9	E153 A154 L155 V176 L202	E153-E178 PolarHBondContact O-N 2.97Å; A154-E178 WeakPolarHBondContact CA-O 3.25Å; A154-E178 HydrophobicContact CB-CB 4.3Å; L155-E178 PolarHBondContact N-O 3.3Å; V176-E178 WeakPolarHBondContact CG1-O 3.47Å; E178-L202 HydrophobicContact CG-CB 4.22Å
179	L	98.7	Very high	96.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.2	173.6	177.5	57.8	0	0	0	109.4	L155 L157 F170 L181 F194 L197 L200 L202 L203 D204	L155-L179 HydrophobicContact CB-CD1 4.08Å; L155-L179 HydrophobicContact CD2-CD1 3.95Å; L155-L179 HydrophobicContact CG-CD1 3.97Å; L157-L179 HydrophobicContact CD1-CD1 4.37Å; F170-L179 HydrophobicContact CE1-CD1 4.29Å; F170-L179 HydrophobicContact CE1-CD2 4.24Å; F170-L179 HydrophobicContact CE2-CD2 4.22Å; F170-L179 HydrophobicContact CZ-CD1 4.49Å; F170-L179 HydrophobicContact CZ-CD2 3.93Å; L179-L181 HydrophobicContact CD1-CD1 4.32Å; L179-L181 HydrophobicContact CD1-CG 4.2Å; L179-L181 HydrophobicContact CD2-CD1 3.84Å; L179-L181 HydrophobicContact CG-CD1 3.98Å; L179-L181 HydrophobicContact CG-CG 4.19Å; L179-F194 HydrophobicContact CD2-CD1 4.05Å; L179-F194 HydrophobicContact CD2-CE1 4.06Å; L179-L197 HydrophobicContact CD2-CD1 3.51Å; L179-L200 HydrophobicContact CB-CD1 3.77Å; L179-L202 PolarHBondContact N-O 3.01Å; L179-L203 HydrophobicContact CB-CD1 4.14Å; L179-L203 HydrophobicContact CD2-CD1 3.91Å; L179-L203 HydrophobicContact CG-CD1 4.02Å; L179-D204 PolarHBondContact O-N 3.19Å
180	H	98.6	Very high	96.1	Very high	44 Å²	44	41 Å²	41	20%	0.204	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.2	177.6	-62.6	-83.1	0	0	0	109.8	L155 N156 L157 S158 Q182	L155-H180 PolarHBondContact O-N 3.18Å; N156-H180 HydrophobicContact CB-CB 4.49Å; N156-H180 WeakPolarHBondContact OD1-CB 3.13Å; L157-H180 CarbonylContact C-O 3.54Å; L157-H180 WeakPolarHBondContact CA-O 3.44Å; L157-H180 WeakPolarHBondContact CB-O 3.36Å; L157-H180 PolarHBondContact N-O 3.27Å; S158-H180 PolarHBondContact N-O 3.44Å; H180-Q182 VanDerWaalsContact CB-OE1 3.3Å
181	L	98.6	Very high	95.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.261	C	S	.	.			trans	-128.6	13.5	177.6	-78.9	164.9	0	0	0	111	L157 I165 F170 L179 N184 L186 F194 D204 L205 N208	L157-L181 HydrophobicContact CB-CD2 3.81Å; L157-L181 HydrophobicContact CD1-CD2 4.08Å; I165-L181 HydrophobicContact CD1-CD1 4.1Å; F170-L181 HydrophobicContact CZ-CD1 4.38Å; L179-L181 HydrophobicContact CD1-CD1 4.32Å; L179-L181 HydrophobicContact CD1-CG 4.2Å; L179-L181 HydrophobicContact CD2-CD1 3.84Å; L179-L181 HydrophobicContact CG-CD1 3.98Å; L179-L181 HydrophobicContact CG-CG 4.19Å; L181-N184 WeakPolarHBondContact O-CB 3.38Å; L181-N184 PolarHBondContact O-ND2 2.98Å; L181-L186 HydrophobicContact CB-CD1 4.48Å; L181-L186 HydrophobicContact CD1-CD1 4.37Å; L181-F194 HydrophobicContact CD1-CE1 3.81Å; L181-F194 HydrophobicContact CD1-CZ 4.24Å; L181-D204 CarbonylContact C-O 3.42Å; L181-D204 WeakPolarHBondContact CA-O 3.49Å; L181-D204 WeakPolarHBondContact CB-O 3.45Å; L181-D204 PolarHBondContact N-O 3.33Å; L181-L205 HydrophobicContact CB-CD2 3.88Å; L181-L205 HydrophobicContact CD1-CD2 3.92Å; L181-N208 PolarHBondContact O-ND2 3.38Å
182	Q	97.2	Very high	95	Very high	35 Å²	35	45.9 Å²	45.9	16%	0.164	26%	0.259	C	S	.	.			trans	-63.1	155.4	178.6	71.8	-80.9	6.6	0	0	112.5	S158 T159 H180 N184 D204 S206	S158-Q182 CarbonylContact C-O 3.13Å; S158-Q182 WeakPolarHBondContact CA-O 3.42Å; S158-Q182 WeakPolarHBondContact CB-O 3.34Å; T159-Q182 PolarHBondContact N-O 2.96Å; H180-Q182 VanDerWaalsContact CB-OE1 3.3Å; Q182-N184 PolarHBondContact O-ND2 3.19Å; Q182-D204 PolarHBondContact N-O 2.88Å; Q182-S206 CarbonylContact C-O 3.56Å; Q182-S206 WeakPolarHBondContact CA-O 3.34Å; Q182-S206 WeakPolarHBondContact CB-O 3.28Å; Q182-S206 VanDerWaalsContact CB-OG 3.27Å; Q182-S206 WeakPolarHBondContact CB-OG 3.34Å
183	D	98.3	Very high	94.9	Very high	78 Å²	78	44.7 Å²	44.7	42%	0.417	25%	0.245	S	C	.	.	S	Bend	trans	55.6	55.3	-177.3	-60.6	-73.3	0	0	0	111.8	T159 N160 S206 D207	T159-D183 WeakPolarHBondContact CA-O 3.27Å; T159-D183 PolarHBondContact N-O 3.14Å; N160-D183 PolarHBondContact N-O 3Å; D183-S206 PolarHBondContact N-O 3.11Å; D183-D207 WeakPolarHBondContact CA-O 3.08Å; D183-D207 WeakPolarHBondContact OD1-CB 3.12Å
184	N	98.6	Very high	94.7	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.027	25%	0.245	C	C	.	.	S	Bend	trans	-128.3	-169.8	174.1	-86.3	-80.1	0	0	0	110	L157 N160 V162 L181 Q182 D207 N208	L157-N184 PolarHBondContact O-ND2 3.44Å; N160-N184 WeakPolarHBondContact CA-OD1 3.45Å; N160-N184 WeakPolarHBondContact CB-OD1 3.36Å; N160-N184 PolarHBondContact O-OD1 3.15Å; V162-N184 HydrophobicContact CB-CB 4.35Å; V162-N184 VanDerWaalsContact CB-OD1 3.23Å; V162-N184 WeakPolarHBondContact CB-OD1 3.45Å; V162-N184 WeakPolarHBondContact CG2-OD1 3.46Å; V162-N184 PolarHBondContact N-OD1 3.09Å; L181-N184 WeakPolarHBondContact O-CB 3.38Å; L181-N184 PolarHBondContact O-ND2 2.98Å; Q182-N184 PolarHBondContact O-ND2 3.19Å; N184-D207 PolarHBondContact N-O 3.12Å; N184-N208 WeakPolarHBondContact CA-OD1 3.31Å; N184-N208 WeakPolarHBondContact CB-OD1 3.4Å; N184-N208 PolarHBondContact O-OD1 3.14Å
185	Q	98.1	Very high	94.7	Very high	89 Å²	89	48.4 Å²	48.4	42%	0.416	25%	0.247	S	C	.	.			trans	-115.2	23.4	-174.5	-61.7	-176.9	-7.4	0	0	112.9	V162 G187 N208	V162-Q185 CarbonylContact O-C 3.2Å; V162-Q185 VanDerWaalsContact O-C 3.29Å; V162-Q185 WeakPolarHBondContact O-CA 3.28Å; V162-Q185 PolarHBondContact O-N 3.41Å; Q185-G187 PolarHBondContact O-N 3.18Å; Q185-G187 VanDerWaalsContact O-N 3.14Å; Q185-N208 PolarHBondContact N-OD1 3.28Å
186	L	97	Very high	94.5	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	24%	0.237	C	C	.	.			trans	-64.7	115.9	-175.7	-64.2	172.9	0	0	0	110.8	V162 I165 L181 L205 N208 H209 V210	V162-L186 HydrophobicContact CG1-CD2 4.02Å; V162-L186 PolarHBondContact O-N 3.06Å; I165-L186 HydrophobicContact CD1-CD1 4.13Å; I165-L186 HydrophobicContact CD1-CD2 3.91Å; I165-L186 HydrophobicContact CG1-CD2 3.79Å; L181-L186 HydrophobicContact CB-CD1 4.48Å; L181-L186 HydrophobicContact CD1-CD1 4.37Å; L186-L205 HydrophobicContact CD1-CD2 3.76Å; L186-N208 HydrophobicContact CB-CB 4.29Å; L186-N208 VanDerWaalsContact CB-OD1 3.27Å; L186-N208 WeakPolarHBondContact CB-OD1 3.21Å; L186-N208 WeakPolarHBondContact CG-OD1 3.38Å; L186-N208 PolarHBondContact N-OD1 3.41Å; L186-H209 CarbonylContact O-C 3.42Å; L186-H209 WeakPolarHBondContact O-CA 3.15Å; L186-H209 PolarHBondContact O-N 3Å; L186-V210 HydrophobicContact CB-CG2 4.31Å; L186-V210 WeakPolarHBondContact O-CG2 3.3Å; L186-V210 PolarHBondContact O-N 3.08Å
187	G	93.5	Very high	94.4	Very high	30 Å²	30	45.8 Å²	45.8	31%	0.309	24%	0.237	S	C	.	.			trans	-87.8	-26.6	179	0	0	0	0	0	114.7	Q185 V210 S211	Q185-G187 PolarHBondContact O-N 3.18Å; Q185-G187 VanDerWaalsContact O-N 3.14Å; G187-V210 WeakPolarHBondContact O-CA 3.47Å; G187-S211 PolarHBondContact O-N 2.93Å
188	S	88.6	Confident	94.2	Very high	47 Å²	47	49.8 Å²	49.8	33%	0.329	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-154.2	153.7	-177.3	67.1	0	0	0	0	112.2
189	I	88.8	Confident	94.1	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.236	C	C	.	.			trans	-106.8	65.9	175.1	-51	-58.2	0	0	0	108.8	P193 F194 L205 V210 L213 P214 C217 F218	I189-P193 HydrophobicContact CG2-CG 3.83Å; I189-F194 HydrophobicContact CD1-CE2 4.04Å; I189-F194 HydrophobicContact CD1-CZ 4.22Å; I189-F194 HydrophobicContact CG2-CD2 4.14Å; I189-F194 HydrophobicContact CG2-CE2 3.68Å; I189-L205 HydrophobicContact CD1-CD1 4.24Å; I189-V210 HydrophobicContact CD1-CG2 4.06Å; I189-V210 HydrophobicContact CG1-CG1 4.07Å; I189-V210 HydrophobicContact CG1-CG2 4.25Å; I189-L213 HydrophobicContact CG1-CD2 4.19Å; I189-P214 VanDerWaalsContact O-CG 3.26Å; I189-P214 WeakPolarHBondContact O-CG 3.42Å; I189-C217 HydrophobicContact CG2-CB 4.11Å; I189-F218 HydrophobicContact CG2-CE1 4.28Å; I189-F218 HydrophobicContact CG2-CZ 4.45Å
190	I	85.8	Confident	94	Very high	101 Å²	101	46.2 Å²	46.2	52%	0.518	24%	0.236	S	C	.	.			trans	-92.9	157.1	-179.5	59.9	171.1	0	0	0	112.1	Q192 P193	I190-Q192 VanDerWaalsContact C-N 3.25Å; I190-Q192 PolarHBondContact O-N 2.89Å; I190-P193 WeakPolarHBondContact O-CD 3.33Å
191	S	84.2	Confident	93.7	Very high	91 Å²	91	47.8 Å²	47.8	64%	0.636	24%	0.242	S	C	*	.	S	Bend	trans	62.8	23.8	175	-55.4	0	0	0	0	115.7
192	Q	88.6	Confident	93.5	Very high	67 Å²	67	49.7 Å²	49.7	31%	0.313	25%	0.252	S	S	.	.			trans	51.4	59.3	177	-54.8	-177.5	-45	0	0	112.3	I190 F194 R195	I190-Q192 VanDerWaalsContact C-N 3.25Å; I190-Q192 PolarHBondContact O-N 2.89Å; Q192-F194 PolarHBondContact O-N 3.48Å; Q192-F194 VanDerWaalsContact O-N 3.08Å; Q192-R195 HydrophobicContact CB-CB 4.1Å; Q192-R195 WeakPolarHBondContact O-CB 3.46Å; Q192-R195 PolarHBondContact O-N 3.19Å
193	P	91.4	Very high	93.4	Very high	9 Å²	9	48 Å²	48	6%	0.058	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.9	-170.5	26.7	-30.7	0	0	0	111.4	I165 F170 I189 I190 R195	I165-P193 HydrophobicContact CB-CB 4.19Å; I165-P193 HydrophobicContact CG2-CB 3.89Å; F170-P193 WeakPolarHBondContact CD2-O 3.4Å; I189-P193 HydrophobicContact CG2-CG 3.83Å; I190-P193 WeakPolarHBondContact O-CD 3.33Å; P193-R195 VanDerWaalsContact C-N 3.34Å; P193-R195 PolarHBondContact O-N 3.11Å
194	F	94.4	Very high	93.3	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	10.9	-178.8	-47.1	-57.9	0	0	0	114.1	I165 F170 L179 L181 I189 Q192 D196 L197 L203 L205 F218 L221	I165-F194 HydrophobicContact CD1-CE1 4.21Å; I165-F194 HydrophobicContact CD1-CZ 4.44Å; F170-F194 HydrophobicContact CD2-CD1 4.23Å; F170-F194 AromaticContact CE2-CD1 3.86Å; F170-F194 HydrophobicContact CE2-CD1 3.86Å; F170-F194 AromaticContact CE2-CE1 3.89Å; F170-F194 HydrophobicContact CE2-CE1 3.89Å; L179-F194 HydrophobicContact CD2-CD1 4.05Å; L179-F194 HydrophobicContact CD2-CE1 4.06Å; L181-F194 HydrophobicContact CD1-CE1 3.81Å; L181-F194 HydrophobicContact CD1-CZ 4.24Å; I189-F194 HydrophobicContact CD1-CE2 4.04Å; I189-F194 HydrophobicContact CD1-CZ 4.22Å; I189-F194 HydrophobicContact CG2-CD2 4.14Å; I189-F194 HydrophobicContact CG2-CE2 3.68Å; Q192-F194 PolarHBondContact O-N 3.48Å; Q192-F194 VanDerWaalsContact O-N 3.08Å; F194-D196 PolarHBondContact O-N 2.7Å; F194-D196 VanDerWaalsContact O-N 3.09Å; F194-L197 HydrophobicContact CB-CD1 4.09Å; F194-L197 HydrophobicContact CD1-CD1 3.96Å; F194-L197 HydrophobicContact CG-CD1 4.49Å; F194-L197 PolarHBondContact O-N 2.97Å; F194-L197 VanDerWaalsContact O-N 3.12Å; F194-L203 HydrophobicContact CD2-CD2 3.95Å; F194-L203 HydrophobicContact CE1-CD1 4.31Å; F194-L203 HydrophobicContact CE2-CD2 3.98Å; F194-L203 HydrophobicContact CG-CD2 4.25Å; F194-L203 HydrophobicContact CZ-CD1 4.46Å; F194-L203 HydrophobicContact CZ-CD2 4.33Å; F194-L205 HydrophobicContact CE2-CD1 4.13Å; F194-L205 HydrophobicContact CZ-CD1 4.23Å; F194-L205 HydrophobicContact CZ-CD2 3.95Å; F194-F218 HydrophobicContact CD2-CD1 4.17Å; F194-F218 AromaticContact CD2-CE1 3.9Å; F194-F218 HydrophobicContact CD2-CE1 3.9Å; F194-F218 AromaticContact CE2-CE1 3.93Å; F194-F218 HydrophobicContact CE2-CE1 3.93Å; F194-L221 HydrophobicContact CB-CD1 4.23Å; F194-L221 HydrophobicContact CB-CD2 4.09Å; F194-L221 WeakPolarHBondContact O-CD2 3.36Å
195	R	93.9	Very high	93.1	Very high	138 Å²	138	45.3 Å²	45.3	52%	0.521	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-38.1	-172.1	178.5	170.8	178.5	-174.7	-2	114.1	Q192 P193 T220	Q192-R195 HydrophobicContact CB-CB 4.1Å; Q192-R195 WeakPolarHBondContact O-CB 3.46Å; Q192-R195 PolarHBondContact O-N 3.19Å; P193-R195 VanDerWaalsContact C-N 3.34Å; P193-R195 PolarHBondContact O-N 3.11Å; R195-T220 WeakPolarHBondContact CA-OG1 3.33Å; R195-T220 HydrophobicContact CG-CG2 4.14Å; R195-T220 PolarHBondContact O-OG1 3.09Å
196	D	94.5	Very high	92.8	Very high	47 Å²	47	41.5 Å²	41.5	25%	0.251	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-11.4	-172.5	-60.6	-48.5	0	0	0	114	F194 R198	F194-D196 PolarHBondContact O-N 2.7Å; F194-D196 VanDerWaalsContact O-N 3.09Å; D196-R198 PolarHBondContact O-N 2.96Å
197	L	96.5	Very high	92.8	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.232	C	C	.	.			trans	-82.9	57.9	-175.3	-58	175	0	0	0	112	F170 L173 V176 L179 F194 A199 L200 L221	F170-L197 HydrophobicContact CB-CD2 3.98Å; F170-L197 HydrophobicContact CB-CG 4.2Å; F170-L197 HydrophobicContact CD2-CD1 4.22Å; F170-L197 HydrophobicContact CG-CD1 4.31Å; F170-L197 HydrophobicContact CG-CD2 4.42Å; L173-L197 HydrophobicContact CB-CD2 3.7Å; L173-L197 HydrophobicContact CD1-CD2 4.39Å; V176-L197 HydrophobicContact CB-CD2 4.05Å; V176-L197 HydrophobicContact CG1-CD2 4.35Å; L179-L197 HydrophobicContact CD2-CD1 3.51Å; F194-L197 HydrophobicContact CB-CD1 4.09Å; F194-L197 HydrophobicContact CD1-CD1 3.96Å; F194-L197 HydrophobicContact CG-CD1 4.49Å; F194-L197 PolarHBondContact O-N 2.97Å; F194-L197 VanDerWaalsContact O-N 3.12Å; L197-A199 PolarHBondContact O-N 2.88Å; L197-L200 HydrophobicContact CB-CB 3.99Å; L197-L200 HydrophobicContact CB-CD1 4.49Å; L197-L200 HydrophobicContact CB-CD2 4.19Å; L197-L200 HydrophobicContact CB-CG 4.48Å; L197-L200 HydrophobicContact CD1-CD1 4.43Å; L197-L200 HydrophobicContact CD1-CD2 4.01Å; L197-L200 WeakPolarHBondContact O-CB 3.27Å; L197-L200 PolarHBondContact O-N 2.82Å; L197-L200 VanDerWaalsContact O-N 3.11Å; L197-L221 HydrophobicContact CB-CD2 4.08Å; L197-L221 WeakPolarHBondContact O-CD2 3.3Å
198	R	93.5	Very high	92.9	Very high	166 Å²	166	43.7 Å²	43.7	63%	0.626	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.8	-171.3	-62.5	-175.9	-175.7	163.5	3.7	114.9	D196	D196-R198 PolarHBondContact O-N 2.96Å
199	A	96.8	Very high	93.2	Very high	16 Å²	16	44.7 Å²	44.7	13%	0.132	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	5.6	177.4	0	0	0	0	0	113.4	A174 V176 L197 K201	A174-A199 VanDerWaalsContact O-CB 3.28Å; A174-A199 WeakPolarHBondContact O-CB 3.26Å; V176-A199 CarbonylContact O-C 3.43Å; L197-A199 PolarHBondContact O-N 2.88Å; A199-K201 PolarHBondContact O-N 3.14Å
200	L	96.6	Very high	93.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.			trans	-66.8	124.3	-172.5	-160.7	69.8	0	0	0	111	V176 L179 L197 L202 L203 L221 Q223 L224	V176-L200 HydrophobicContact CG1-CD1 3.88Å; V176-L200 WeakPolarHBondContact O-CA 3.49Å; V176-L200 PolarHBondContact O-N 2.88Å; L179-L200 HydrophobicContact CB-CD1 3.77Å; L197-L200 HydrophobicContact CB-CB 3.99Å; L197-L200 HydrophobicContact CB-CD1 4.49Å; L197-L200 HydrophobicContact CB-CD2 4.19Å; L197-L200 HydrophobicContact CB-CG 4.48Å; L197-L200 HydrophobicContact CD1-CD1 4.43Å; L197-L200 HydrophobicContact CD1-CD2 4.01Å; L197-L200 WeakPolarHBondContact O-CB 3.27Å; L197-L200 PolarHBondContact O-N 2.82Å; L197-L200 VanDerWaalsContact O-N 3.11Å; L200-L202 WeakPolarHBondContact CD1-O 3.39Å; L200-L203 HydrophobicContact CD2-CB 3.83Å; L200-L203 HydrophobicContact CD2-CD1 4.33Å; L200-L203 HydrophobicContact CD2-CD2 4.27Å; L200-L203 HydrophobicContact CD2-CG 4.36Å; L200-L221 HydrophobicContact CB-CD2 4.21Å; L200-L221 HydrophobicContact CD2-CD1 4.17Å; L200-L221 HydrophobicContact CD2-CD2 4.12Å; L200-Q223 CarbonylContact O-C 3.17Å; L200-L224 HydrophobicContact CD2-CD1 4.17Å; L200-L224 HydrophobicContact CG-CD1 4.18Å; L200-L224 VanDerWaalsContact O-CA 3.3Å; L200-L224 WeakPolarHBondContact O-CA 3.32Å; L200-L224 PolarHBondContact O-N 2.8Å; L200-L224 VanDerWaalsContact O-N 3.16Å
201	K	93.5	Very high	93.8	Very high	77 Å²	77	41.5 Å²	41.5	34%	0.335	20%	0.204	S	C	.	.			trans	-104.3	-38.4	175.9	-71	171.1	169	-99.9	0	111.2	K177 A199 E225 V226	K177-K201 HydrophobicContact CB-CD 4.39Å; K177-K201 HydrophobicContact CG-CD 4.43Å; K177-K201 WeakPolarHBondContact O-CA 3.41Å; K177-K201 PolarHBondContact O-N 3.3Å; A199-K201 PolarHBondContact O-N 3.14Å; K201-E225 IonicContact NZ-OE1 2.73Å; K201-E225 PolarHBondContact NZ-OE1 3.4Å; K201-E225 CarbonylContact O-C 3.09Å; K201-E225 WeakPolarHBondContact O-CA 3.49Å; K201-E225 PolarHBondContact O-N 2.93Å; K201-V226 PolarHBondContact O-N 3.17Å
202	L	94	Very high	93.9	Very high	40 Å²	40	39.5 Å²	39.5	21%	0.209	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.9	-179.6	-174.7	155.1	0	0	0	109.9	K177 E178 L179 L200 D204 V226	K177-L202 PolarHBondContact O-N 2.79Å; E178-L202 HydrophobicContact CG-CB 4.22Å; L179-L202 PolarHBondContact N-O 3.01Å; L200-L202 WeakPolarHBondContact CD1-O 3.39Å; L202-D204 HydrophobicContact CD2-CB 4.18Å; L202-V226 WeakPolarHBondContact CA-O 3.47Å; L202-V226 HydrophobicContact CB-CB 4.29Å; L202-V226 HydrophobicContact CD1-CB 4.31Å; L202-V226 HydrophobicContact CD1-CG1 4.42Å; L202-V226 HydrophobicContact CG-CB 4Å; L202-V226 HydrophobicContact CG-CG1 4.23Å
203	L	95.4	Very high	94	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	114.9	168.5	-180	52.8	0	0	0	108.8	L179 F194 L200 L205 F218 L221 L224 V226 L227 N228	L179-L203 HydrophobicContact CB-CD1 4.14Å; L179-L203 HydrophobicContact CD2-CD1 3.91Å; L179-L203 HydrophobicContact CG-CD1 4.02Å; F194-L203 HydrophobicContact CD2-CD2 3.95Å; F194-L203 HydrophobicContact CE1-CD1 4.31Å; F194-L203 HydrophobicContact CE2-CD2 3.98Å; F194-L203 HydrophobicContact CG-CD2 4.25Å; F194-L203 HydrophobicContact CZ-CD1 4.46Å; F194-L203 HydrophobicContact CZ-CD2 4.33Å; L200-L203 HydrophobicContact CD2-CB 3.83Å; L200-L203 HydrophobicContact CD2-CD1 4.33Å; L200-L203 HydrophobicContact CD2-CD2 4.27Å; L200-L203 HydrophobicContact CD2-CG 4.36Å; L203-L205 HydrophobicContact CD1-CD1 4.47Å; L203-L205 HydrophobicContact CD1-CD2 4.31Å; L203-L205 HydrophobicContact CD1-CG 4.06Å; L203-L205 HydrophobicContact CD2-CD1 3.95Å; L203-L205 HydrophobicContact CD2-CG 4.41Å; L203-L205 HydrophobicContact CG-CD1 4.05Å; L203-L205 HydrophobicContact CG-CG 3.99Å; L203-F218 HydrophobicContact CD2-CD1 4.34Å; L203-F218 HydrophobicContact CD2-CE1 3.98Å; L203-L221 HydrophobicContact CD2-CD1 4.07Å; L203-L224 HydrophobicContact CB-CD1 3.91Å; L203-V226 PolarHBondContact N-O 2.81Å; L203-L227 HydrophobicContact CB-CD1 4.1Å; L203-L227 HydrophobicContact CD2-CD1 3.99Å; L203-L227 HydrophobicContact CG-CD1 4Å; L203-L227 WeakPolarHBondContact O-CA 3.39Å; L203-N228 PolarHBondContact O-N 3.05Å
204	D	94.5	Very high	93.9	Very high	26 Å²	26	37.3 Å²	37.3	14%	0.139	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.6	172.7	-156.1	-30.1	0	0	0	110.6	L179 L181 Q182 L202 S206 N228	L179-D204 PolarHBondContact O-N 3.19Å; L181-D204 CarbonylContact C-O 3.42Å; L181-D204 WeakPolarHBondContact CA-O 3.49Å; L181-D204 WeakPolarHBondContact CB-O 3.45Å; L181-D204 PolarHBondContact N-O 3.33Å; Q182-D204 PolarHBondContact N-O 2.88Å; L202-D204 HydrophobicContact CD2-CB 4.18Å; D204-S206 VanDerWaalsContact OD1-CB 3.31Å; D204-S206 WeakPolarHBondContact OD1-CB 3.49Å; D204-S206 PolarHBondContact OD1-N 3.11Å; D204-S206 PolarHBondContact OD1-OG 2.9Å; D204-N228 HydrophobicContact CB-CB 4.4Å; D204-N228 WeakPolarHBondContact OD1-CB 3.39Å; D204-N228 PolarHBondContact OD1-ND2 3.49Å; D204-N228 VanDerWaalsContact OD1-ND2 3.09Å; D204-N228 PolarHBondContact OD2-ND2 3.26Å
205	L	95.5	Very high	93.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.191	C	C	.	.			trans	-119.2	19.2	175.8	-66.9	168.4	0	0	0	110.5	L181 L186 I189 F194 L203 N208 F218 L227 N228 M229 N232	L181-L205 HydrophobicContact CB-CD2 3.88Å; L181-L205 HydrophobicContact CD1-CD2 3.92Å; L186-L205 HydrophobicContact CD1-CD2 3.76Å; I189-L205 HydrophobicContact CD1-CD1 4.24Å; F194-L205 HydrophobicContact CE2-CD1 4.13Å; F194-L205 HydrophobicContact CZ-CD1 4.23Å; F194-L205 HydrophobicContact CZ-CD2 3.95Å; L203-L205 HydrophobicContact CD1-CD1 4.47Å; L203-L205 HydrophobicContact CD1-CD2 4.31Å; L203-L205 HydrophobicContact CD1-CG 4.06Å; L203-L205 HydrophobicContact CD2-CD1 3.95Å; L203-L205 HydrophobicContact CD2-CG 4.41Å; L203-L205 HydrophobicContact CG-CD1 4.05Å; L203-L205 HydrophobicContact CG-CG 3.99Å; L205-N208 PolarHBondContact O-ND2 2.8Å; L205-F218 HydrophobicContact CD1-CE1 4.29Å; L205-F218 HydrophobicContact CD1-CZ 4.29Å; L205-L227 HydrophobicContact CD1-CD1 4.36Å; L205-N228 CarbonylContact C-O 3.01Å; L205-N228 WeakPolarHBondContact CA-O 3.34Å; L205-N228 PolarHBondContact N-O 3.01Å; L205-M229 HydrophobicContact CB-CG 4.34Å; L205-N232 PolarHBondContact O-ND2 3.25Å
206	S	92.3	Very high	93.1	Very high	8 Å²	8	37.5 Å²	37.5	6%	0.056	19%	0.187	C	C	.	.			trans	-62.1	155.4	-179.6	49.4	0	0	0	0	112.4	Q182 D183 D204 N208 N228 A230	Q182-S206 CarbonylContact C-O 3.56Å; Q182-S206 WeakPolarHBondContact CA-O 3.34Å; Q182-S206 WeakPolarHBondContact CB-O 3.28Å; Q182-S206 VanDerWaalsContact CB-OG 3.27Å; Q182-S206 WeakPolarHBondContact CB-OG 3.34Å; D183-S206 PolarHBondContact N-O 3.11Å; D204-S206 VanDerWaalsContact OD1-CB 3.31Å; D204-S206 WeakPolarHBondContact OD1-CB 3.49Å; D204-S206 PolarHBondContact OD1-N 3.11Å; D204-S206 PolarHBondContact OD1-OG 2.9Å; S206-N208 VanDerWaalsContact C-N 3.28Å; S206-N208 PolarHBondContact O-N 3Å; S206-N208 PolarHBondContact O-ND2 2.96Å; S206-N228 WeakPolarHBondContact CB-ND2 3.3Å; S206-N228 PolarHBondContact N-O 3.2Å; S206-N228 PolarHBondContact OG-ND2 3.09Å; S206-N228 VanDerWaalsContact OG-ND2 3.11Å; S206-A230 CarbonylContact C-O 3.05Å; S206-A230 WeakPolarHBondContact CA-O 3.43Å; S206-A230 WeakPolarHBondContact CB-O 3.28Å
207	D	95.7	Very high	92.8	Very high	77 Å²	77	35.4 Å²	35.4	41%	0.412	18%	0.177	S	C	.	.	S	Bend	trans	54.5	44.7	174.6	-57.4	-60	0	0	0	112.8	D183 N184 A230	D183-D207 WeakPolarHBondContact CA-O 3.08Å; D183-D207 WeakPolarHBondContact OD1-CB 3.12Å; N184-D207 PolarHBondContact N-O 3.12Å; D207-A230 PolarHBondContact N-O 3.28Å
208	N	96	Very high	92.5	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.011	18%	0.176	C	C	.	.	S	Bend	trans	-111.9	-165.6	172.2	-87.2	-91.6	0	0	0	110.6	L181 N184 Q185 L186 L205 S206 V210 N232	L181-N208 PolarHBondContact O-ND2 3.38Å; N184-N208 WeakPolarHBondContact CA-OD1 3.31Å; N184-N208 WeakPolarHBondContact CB-OD1 3.4Å; N184-N208 PolarHBondContact O-OD1 3.14Å; Q185-N208 PolarHBondContact N-OD1 3.28Å; L186-N208 HydrophobicContact CB-CB 4.29Å; L186-N208 VanDerWaalsContact CB-OD1 3.27Å; L186-N208 WeakPolarHBondContact CB-OD1 3.21Å; L186-N208 WeakPolarHBondContact CG-OD1 3.38Å; L186-N208 PolarHBondContact N-OD1 3.41Å; L205-N208 PolarHBondContact O-ND2 2.8Å; S206-N208 VanDerWaalsContact C-N 3.28Å; S206-N208 PolarHBondContact O-N 3Å; S206-N208 PolarHBondContact O-ND2 2.96Å; N208-V210 HydrophobicContact CB-CG2 4.34Å; N208-N232 VanDerWaalsContact C-OD1 3.22Å; N208-N232 WeakPolarHBondContact CA-OD1 3.35Å; N208-N232 WeakPolarHBondContact CB-OD1 3.43Å
209	H	96.2	Very high	92.1	Very high	68 Å²	68	28.5 Å²	28.5	32%	0.315	15%	0.153	S	C	.	.			trans	-115.5	20.9	-178.9	-59.7	-18.1	0	0	0	112.8	L186 S211	L186-H209 CarbonylContact O-C 3.42Å; L186-H209 WeakPolarHBondContact O-CA 3.15Å; L186-H209 PolarHBondContact O-N 3Å; H209-S211 PolarHBondContact O-N 2.68Å; H209-S211 VanDerWaalsContact O-N 3.14Å
210	V	94.3	Very high	91.8	Very high	3 Å²	3	29 Å²	29	2%	0.018	16%	0.155	C	C	.	.			trans	-64.9	117.7	-172.7	-178.4	0	0	0	0	109.6	L186 G187 I189 N208 L213 N232 R233 L234	L186-V210 HydrophobicContact CB-CG2 4.31Å; L186-V210 WeakPolarHBondContact O-CG2 3.3Å; L186-V210 PolarHBondContact O-N 3.08Å; G187-V210 WeakPolarHBondContact O-CA 3.47Å; I189-V210 HydrophobicContact CD1-CG2 4.06Å; I189-V210 HydrophobicContact CG1-CG1 4.07Å; I189-V210 HydrophobicContact CG1-CG2 4.25Å; N208-V210 HydrophobicContact CB-CG2 4.34Å; V210-L213 HydrophobicContact CG1-CD2 3.93Å; V210-N232 HydrophobicContact CB-CB 4.32Å; V210-N232 VanDerWaalsContact CB-OD1 3.3Å; V210-N232 WeakPolarHBondContact CB-OD1 3.26Å; V210-N232 WeakPolarHBondContact CG2-OD1 3.33Å; V210-N232 PolarHBondContact N-OD1 2.98Å; V210-R233 CarbonylContact O-C 3.56Å; V210-R233 PolarHBondContact O-N 3.02Å; V210-L234 HydrophobicContact CG1-CD2 3.93Å; V210-L234 PolarHBondContact O-N 3.17Å
211	S	91	Very high	91.5	Very high	34 Å²	34	29 Å²	29	24%	0.238	16%	0.155	C	C	.	.			trans	-103.8	-26.2	178.5	60.6	0	0	0	0	114.1	G187 H209 R233 E235 S236	G187-S211 PolarHBondContact O-N 2.93Å; H209-S211 PolarHBondContact O-N 2.68Å; H209-S211 VanDerWaalsContact O-N 3.14Å; S211-R233 VanDerWaalsContact CA-O 3.28Å; S211-R233 WeakPolarHBondContact CA-O 3.22Å; S211-E235 PolarHBondContact O-N 2.96Å; S211-S236 PolarHBondContact O-N 3.26Å
212	T	88	Confident	91.3	Very high	48 Å²	48	31.8 Å²	31.8	29%	0.294	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.8	-177.6	65.7	0	0	0	0	112.1	S236	T212-S236 WeakPolarHBondContact CA-O 3.45Å; T212-S236 WeakPolarHBondContact CG2-OG 3.04Å
213	L	89.8	Confident	91.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	103.6	170.5	-65.8	179.8	0	0	0	109.6	I189 V210 F218 M229 L234 S236 I237 E238 A241 F242	I189-L213 HydrophobicContact CG1-CD2 4.19Å; V210-L213 HydrophobicContact CG1-CD2 3.93Å; L213-F218 HydrophobicContact CD1-CE2 4.37Å; L213-F218 HydrophobicContact CD2-CE2 3.93Å; L213-F218 HydrophobicContact CD2-CZ 4.1Å; L213-M229 HydrophobicContact CD1-CE 3.79Å; L213-M229 HydrophobicContact CD1-SD 3.99Å; L213-M229 HydrophobicContact CD2-SD 4.28Å; L213-L234 HydrophobicContact CD1-CD1 4.46Å; L213-L234 HydrophobicContact CD1-CD2 4.06Å; L213-L234 HydrophobicContact CD2-CD2 4.4Å; L213-L234 HydrophobicContact CG-CD2 3.8Å; L213-S236 PolarHBondContact N-O 3.04Å; L213-I237 HydrophobicContact CB-CG1 4.39Å; L213-I237 HydrophobicContact CB-CG2 4.21Å; L213-I237 HydrophobicContact CD1-CD1 4.19Å; L213-I237 HydrophobicContact CD1-CG1 4.15Å; L213-I237 HydrophobicContact CD1-CG2 4.46Å; L213-E238 PolarHBondContact O-N 3.25Å; L213-A241 HydrophobicContact CB-CB 4.21Å; L213-F242 HydrophobicContact CD1-CE1 4.31Å; L213-F242 HydrophobicContact CD1-CE2 4.45Å; L213-F242 HydrophobicContact CD1-CZ 3.68Å
214	P	89.3	Confident	91	Very high	29 Å²	29	35.1 Å²	35.1	19%	0.188	18%	0.184	C	C	.	.			trans	-73.1	162	-179.9	27.1	-29.3	0	0	0	111.8	I189 Y216 C217 A241	I189-P214 VanDerWaalsContact O-CG 3.26Å; I189-P214 WeakPolarHBondContact O-CG 3.42Å; P214-Y216 PolarHBondContact O-N 2.77Å; P214-C217 HydrophobicContact CG-CB 4.02Å; P214-C217 WeakPolarHBondContact O-CB 3.44Å; P214-C217 PolarHBondContact O-N 3.26Å; P214-C217 PolarHBondContact O-SG 2.68Å; P214-A241 WeakPolarHBondContact O-CA 3.37Å; P214-A241 WeakPolarHBondContact O-CB 3.22Å
215	A	86.1	Confident	90.7	Very high	30 Å²	30	37.2 Å²	37.2	25%	0.248	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	140.2	178.6	0	0	0	0	0	110.4	C217 E238 E239	A215-C217 PolarHBondContact O-N 3.07Å; A215-E238 HydrophobicContact CB-CB 4.2Å; A215-E238 WeakPolarHBondContact CB-OE2 3.43Å; A215-E238 PolarHBondContact N-OE2 3.24Å; A215-E239 WeakPolarHBondContact CA-O 3.36Å; A215-E239 WeakPolarHBondContact CB-O 3.42Å
216	Y	86.3	Confident	90.3	Very high	113 Å²	113	39.1 Å²	39.1	44%	0.443	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	13.2	175.4	-45.3	-78.6	0	0	0	115.9	P214 F218 S219 D240 S243	P214-Y216 PolarHBondContact O-N 2.77Å; Y216-F218 PolarHBondContact O-N 2.84Å; Y216-F218 VanDerWaalsContact O-N 3.17Å; Y216-S219 VanDerWaalsContact O-CB 3.24Å; Y216-S219 WeakPolarHBondContact O-CB 3.26Å; Y216-S219 PolarHBondContact O-N 3.46Å; Y216-S219 PolarHBondContact O-OG 3.16Å; Y216-D240 HydrophobicContact CD1-CB 4.22Å; Y216-D240 HydrophobicContact CE1-CB 3.68Å; Y216-D240 HydrophobicContact CE2-CB 4.42Å; Y216-D240 PolarHBondContact N-O 3.12Å; Y216-D240 PolarHBondContact OH-OD2 3.17Å; Y216-S243 VanDerWaalsContact CD1-OG 3.23Å; Y216-S243 WeakPolarHBondContact CD1-OG 3.47Å
217	C	87.5	Confident	90.2	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.027	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.6	-178.3	58.7	0	0	0	0	113.9	I189 P214 A215	I189-C217 HydrophobicContact CG2-CB 4.11Å; P214-C217 HydrophobicContact CG-CB 4.02Å; P214-C217 WeakPolarHBondContact O-CB 3.44Å; P214-C217 PolarHBondContact O-N 3.26Å; P214-C217 PolarHBondContact O-SG 2.68Å; A215-C217 PolarHBondContact O-N 3.07Å
218	F	89.4	Confident	89.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	16.4	174.5	-54.2	-62	0	0	0	113.3	I189 F194 L203 L205 L213 Y216 T220 L221 L227 M229 F242 A245	I189-F218 HydrophobicContact CG2-CE1 4.28Å; I189-F218 HydrophobicContact CG2-CZ 4.45Å; F194-F218 HydrophobicContact CD2-CD1 4.17Å; F194-F218 AromaticContact CD2-CE1 3.9Å; F194-F218 HydrophobicContact CD2-CE1 3.9Å; F194-F218 AromaticContact CE2-CE1 3.93Å; F194-F218 HydrophobicContact CE2-CE1 3.93Å; L203-F218 HydrophobicContact CD2-CD1 4.34Å; L203-F218 HydrophobicContact CD2-CE1 3.98Å; L205-F218 HydrophobicContact CD1-CE1 4.29Å; L205-F218 HydrophobicContact CD1-CZ 4.29Å; L213-F218 HydrophobicContact CD1-CE2 4.37Å; L213-F218 HydrophobicContact CD2-CE2 3.93Å; L213-F218 HydrophobicContact CD2-CZ 4.1Å; Y216-F218 PolarHBondContact O-N 2.84Å; Y216-F218 VanDerWaalsContact O-N 3.17Å; F218-T220 PolarHBondContact O-N 3.06Å; F218-L221 HydrophobicContact CB-CD1 4.25Å; F218-L221 HydrophobicContact CD1-CD1 3.85Å; F218-L221 PolarHBondContact O-N 2.75Å; F218-L227 HydrophobicContact CD2-CD2 4.23Å; F218-L227 HydrophobicContact CE2-CD2 4.05Å; F218-L227 HydrophobicContact CZ-CD1 4.48Å; F218-L227 HydrophobicContact CZ-CD2 4.36Å; F218-M229 HydrophobicContact CE2-SD 4.26Å; F218-M229 HydrophobicContact CZ-SD 4.19Å; F218-F242 HydrophobicContact CD2-CD1 4.01Å; F218-F242 AromaticContact CD2-CE1 3.94Å; F218-F242 HydrophobicContact CD2-CE1 3.94Å; F218-F242 HydrophobicContact CE2-CE1 4.03Å; F218-A245 HydrophobicContact CB-CB 4.09Å
219	S	86.7	Confident	89.5	Confident	21 Å²	21	37 Å²	37	15%	0.147	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.3	-172.3	60.8	0	0	0	0	115.3	Y216 H222 A244	Y216-S219 VanDerWaalsContact O-CB 3.24Å; Y216-S219 WeakPolarHBondContact O-CB 3.26Å; Y216-S219 PolarHBondContact O-N 3.46Å; Y216-S219 PolarHBondContact O-OG 3.16Å; S219-H222 PolarHBondContact O-CE1 2.78Å; S219-A244 WeakPolarHBondContact O-CB 3.3Å
220	T	89.4	Confident	89.2	Confident	28 Å²	28	34.8 Å²	34.8	17%	0.172	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-7.3	179.8	58.9	0	0	0	0	113.5	R195 F218 H222	R195-T220 WeakPolarHBondContact CA-OG1 3.33Å; R195-T220 HydrophobicContact CG-CG2 4.14Å; R195-T220 PolarHBondContact O-OG1 3.09Å; F218-T220 PolarHBondContact O-N 3.06Å; T220-H222 VanDerWaalsContact C-N 3.26Å; T220-H222 PolarHBondContact O-CD2 3.16Å; T220-H222 PolarHBondContact O-N 3.28Å
221	L	91.4	Very high	88.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.			trans	-87.1	61.2	-176.2	-53.9	-177.8	0	0	0	111	F194 L197 L200 L203 F218 Q223 L224	F194-L221 HydrophobicContact CB-CD1 4.23Å; F194-L221 HydrophobicContact CB-CD2 4.09Å; F194-L221 WeakPolarHBondContact O-CD2 3.36Å; L197-L221 HydrophobicContact CB-CD2 4.08Å; L197-L221 WeakPolarHBondContact O-CD2 3.3Å; L200-L221 HydrophobicContact CB-CD2 4.21Å; L200-L221 HydrophobicContact CD2-CD1 4.17Å; L200-L221 HydrophobicContact CD2-CD2 4.12Å; L203-L221 HydrophobicContact CD2-CD1 4.07Å; F218-L221 HydrophobicContact CB-CD1 4.25Å; F218-L221 HydrophobicContact CD1-CD1 3.85Å; F218-L221 PolarHBondContact O-N 2.75Å; L221-Q223 PolarHBondContact O-N 3.18Å; L221-Q223 VanDerWaalsContact O-N 3.17Å; L221-L224 HydrophobicContact CB-CB 4.04Å; L221-L224 HydrophobicContact CB-CD2 4.29Å; L221-L224 HydrophobicContact CD1-CD1 4.4Å; L221-L224 HydrophobicContact CD1-CD2 4.03Å; L221-L224 WeakPolarHBondContact O-CB 3.3Å; L221-L224 PolarHBondContact O-N 3.21Å
222	H	89.2	Confident	88.9	Confident	135 Å²	135	35.8 Å²	35.8	63%	0.625	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.3	-173.7	-56.5	-61.9	0	0	0	114.5	S219 T220	S219-H222 PolarHBondContact O-CE1 2.78Å; T220-H222 VanDerWaalsContact C-N 3.26Å; T220-H222 PolarHBondContact O-CD2 3.16Å; T220-H222 PolarHBondContact O-N 3.28Å
223	Q	91.9	Very high	89.1	Confident	102 Å²	102	40.8 Å²	40.8	48%	0.477	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	7.1	179.8	-60	-167.8	5.8	0	0	113.4	L200 L221 E225	L200-Q223 CarbonylContact O-C 3.17Å; L221-Q223 PolarHBondContact O-N 3.18Å; L221-Q223 VanDerWaalsContact O-N 3.17Å; Q223-E225 PolarHBondContact O-N 3.17Å
224	L	90	Very high	89	Confident	8 Å²	8	43.5 Å²	43.5	4%	0.042	23%	0.225	C	C	.	.			trans	-67.8	121.7	-172.2	-160.8	68.5	0	0	0	111.9	L200 L203 L221 L227 A245 L273	L200-L224 HydrophobicContact CD2-CD1 4.17Å; L200-L224 HydrophobicContact CG-CD1 4.18Å; L200-L224 VanDerWaalsContact O-CA 3.3Å; L200-L224 WeakPolarHBondContact O-CA 3.32Å; L200-L224 PolarHBondContact O-N 2.8Å; L200-L224 VanDerWaalsContact O-N 3.16Å; L203-L224 HydrophobicContact CB-CD1 3.91Å; L221-L224 HydrophobicContact CB-CB 4.04Å; L221-L224 HydrophobicContact CB-CD2 4.29Å; L221-L224 HydrophobicContact CD1-CD1 4.4Å; L221-L224 HydrophobicContact CD1-CD2 4.03Å; L221-L224 WeakPolarHBondContact O-CB 3.3Å; L221-L224 PolarHBondContact O-N 3.21Å; L224-L227 HydrophobicContact CD2-CB 3.99Å; L224-A245 HydrophobicContact CD2-CB 4.38Å; L224-L273 HydrophobicContact CD2-CD1 4.34Å; L224-L273 HydrophobicContact CG-CD1 4.05Å
225	E	88.1	Confident	89	Confident	70 Å²	70	50.2 Å²	50.2	33%	0.327	25%	0.254	S	S	.	.			trans	-114.6	-17.6	-179.1	-66.5	174.4	-155.1	0	0	112.7	K201 Q223 L273 T275	K201-E225 IonicContact NZ-OE1 2.73Å; K201-E225 PolarHBondContact NZ-OE1 3.4Å; K201-E225 CarbonylContact O-C 3.09Å; K201-E225 WeakPolarHBondContact O-CA 3.49Å; K201-E225 PolarHBondContact O-N 2.93Å; Q223-E225 PolarHBondContact O-N 3.17Å; E225-L273 CarbonylContact O-C 3.45Å; E225-L273 VanDerWaalsContact O-CA 3.3Å; E225-L273 WeakPolarHBondContact O-CA 3.19Å; E225-L273 WeakPolarHBondContact O-CB 3.08Å; E225-L273 PolarHBondContact O-N 2.91Å; E225-L273 VanDerWaalsContact O-N 3.16Å; E225-T275 HydrophobicContact CG-CG2 4.07Å
226	V	87.8	Confident	89	Confident	41 Å²	41	51.5 Å²	51.5	25%	0.248	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	123.1	173.6	-176.8	0	0	0	0	109	K201 L202 L203	K201-V226 PolarHBondContact O-N 3.17Å; L202-V226 WeakPolarHBondContact CA-O 3.47Å; L202-V226 HydrophobicContact CB-CB 4.29Å; L202-V226 HydrophobicContact CD1-CB 4.31Å; L202-V226 HydrophobicContact CD1-CG1 4.42Å; L202-V226 HydrophobicContact CG-CB 4Å; L202-V226 HydrophobicContact CG-CG1 4.23Å; L203-V226 PolarHBondContact N-O 2.81Å
227	L	90.6	Very high	88.9	Confident	7 Å²	7	48.7 Å²	48.7	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	109.2	168.6	176.4	58.7	0	0	0	107.7	L203 L205 F218 L224 M229 F242 L271 L273	L203-L227 HydrophobicContact CB-CD1 4.1Å; L203-L227 HydrophobicContact CD2-CD1 3.99Å; L203-L227 HydrophobicContact CG-CD1 4Å; L203-L227 WeakPolarHBondContact O-CA 3.39Å; L205-L227 HydrophobicContact CD1-CD1 4.36Å; F218-L227 HydrophobicContact CD2-CD2 4.23Å; F218-L227 HydrophobicContact CE2-CD2 4.05Å; F218-L227 HydrophobicContact CZ-CD1 4.48Å; F218-L227 HydrophobicContact CZ-CD2 4.36Å; L224-L227 HydrophobicContact CD2-CB 3.99Å; L227-M229 HydrophobicContact CD1-CG 3.95Å; L227-M229 HydrophobicContact CD1-SD 4.3Å; L227-M229 HydrophobicContact CD2-CE 3.94Å; L227-M229 HydrophobicContact CD2-CG 4.48Å; L227-M229 HydrophobicContact CD2-SD 4.07Å; L227-M229 HydrophobicContact CG-CE 4.35Å; L227-M229 HydrophobicContact CG-CG 4.01Å; L227-M229 HydrophobicContact CG-SD 4.25Å; L227-F242 HydrophobicContact CD2-CD1 4.42Å; L227-F242 HydrophobicContact CD2-CE1 3.89Å; L227-L271 VanDerWaalsContact O-O 3.09Å; L227-L273 HydrophobicContact CB-CD1 4.04Å
228	N	87.8	Confident	88.8	Confident	15 Å²	15	53.4 Å²	53.4	8%	0.08	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.3	175.9	-174.8	14.7	0	0	0	109.4	L203 D204 L205 S206 A230	L203-N228 PolarHBondContact O-N 3.05Å; D204-N228 HydrophobicContact CB-CB 4.4Å; D204-N228 WeakPolarHBondContact OD1-CB 3.39Å; D204-N228 PolarHBondContact OD1-ND2 3.49Å; D204-N228 VanDerWaalsContact OD1-ND2 3.09Å; D204-N228 PolarHBondContact OD2-ND2 3.26Å; L205-N228 CarbonylContact C-O 3.01Å; L205-N228 WeakPolarHBondContact CA-O 3.34Å; L205-N228 PolarHBondContact N-O 3.01Å; S206-N228 WeakPolarHBondContact CB-ND2 3.3Å; S206-N228 PolarHBondContact N-O 3.2Å; S206-N228 PolarHBondContact OG-ND2 3.09Å; S206-N228 VanDerWaalsContact OG-ND2 3.11Å; N228-A230 WeakPolarHBondContact OD1-CB 3.34Å; N228-A230 PolarHBondContact OD1-N 3.08Å
229	M	88.8	Confident	88.4	Confident	20 Å²	20	61 Å²	61	10%	0.099	31%	0.31	C	S	.	.			trans	-130	22.6	176.1	-62.1	-173.5	-59.6	0	0	110.9	L205 L213 F218 L227 N232 L234 F242	L205-M229 HydrophobicContact CB-CG 4.34Å; L213-M229 HydrophobicContact CD1-CE 3.79Å; L213-M229 HydrophobicContact CD1-SD 3.99Å; L213-M229 HydrophobicContact CD2-SD 4.28Å; F218-M229 HydrophobicContact CE2-SD 4.26Å; F218-M229 HydrophobicContact CZ-SD 4.19Å; L227-M229 HydrophobicContact CD1-CG 3.95Å; L227-M229 HydrophobicContact CD1-SD 4.3Å; L227-M229 HydrophobicContact CD2-CE 3.94Å; L227-M229 HydrophobicContact CD2-CG 4.48Å; L227-M229 HydrophobicContact CD2-SD 4.07Å; L227-M229 HydrophobicContact CG-CE 4.35Å; L227-M229 HydrophobicContact CG-CG 4.01Å; L227-M229 HydrophobicContact CG-SD 4.25Å; M229-N232 PolarHBondContact O-ND2 3.48Å; M229-L234 HydrophobicContact CE-CD1 4.46Å; M229-F242 HydrophobicContact CE-CE1 4.04Å; M229-F242 HydrophobicContact CE-CZ 3.94Å
230	A	88.7	Confident	88.1	Confident	22 Å²	22	62.3 Å²	62.3	18%	0.182	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	152.6	174.4	0	0	0	0	0	110.9	S206 D207 N228 N232 S268	S206-A230 CarbonylContact C-O 3.05Å; S206-A230 WeakPolarHBondContact CA-O 3.43Å; S206-A230 WeakPolarHBondContact CB-O 3.28Å; D207-A230 PolarHBondContact N-O 3.28Å; N228-A230 WeakPolarHBondContact OD1-CB 3.34Å; N228-A230 PolarHBondContact OD1-N 3.08Å; A230-N232 PolarHBondContact O-N 3.23Å; A230-N232 VanDerWaalsContact O-N 3.14Å; A230-N232 PolarHBondContact O-ND2 2.95Å; A230-S268 VanDerWaalsContact CB-O 3.27Å; A230-S268 WeakPolarHBondContact CB-O 3.37Å
231	G	89.4	Confident	87.6	Confident	40 Å²	40	61 Å²	61	41%	0.412	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	8.1	176.4	0	0	0	0	0	116.6
232	N	90.5	Very high	87	Confident	17 Å²	17	61.8 Å²	61.8	9%	0.091	31%	0.311	C	S	.	.			trans	-85	177.2	173.6	-79.1	-80.1	0	0	0	113.2	L205 N208 V210 M229 A230 L234	L205-N232 PolarHBondContact O-ND2 3.25Å; N208-N232 VanDerWaalsContact C-OD1 3.22Å; N208-N232 WeakPolarHBondContact CA-OD1 3.35Å; N208-N232 WeakPolarHBondContact CB-OD1 3.43Å; V210-N232 HydrophobicContact CB-CB 4.32Å; V210-N232 VanDerWaalsContact CB-OD1 3.3Å; V210-N232 WeakPolarHBondContact CB-OD1 3.26Å; V210-N232 WeakPolarHBondContact CG2-OD1 3.33Å; V210-N232 PolarHBondContact N-OD1 2.98Å; M229-N232 PolarHBondContact O-ND2 3.48Å; A230-N232 PolarHBondContact O-N 3.23Å; A230-N232 VanDerWaalsContact O-N 3.14Å; A230-N232 PolarHBondContact O-ND2 2.95Å; N232-L234 HydrophobicContact CB-CG 4.35Å
233	R	92.5	Very high	85.9	Confident	153 Å²	153	56.4 Å²	56.4	58%	0.577	29%	0.289	S	S	*	.			trans	-111.3	37.9	-175.5	-57.8	-178	-175	179.6	4.2	112.5	V210 S211 E235	V210-R233 CarbonylContact O-C 3.56Å; V210-R233 PolarHBondContact O-N 3.02Å; S211-R233 VanDerWaalsContact CA-O 3.28Å; S211-R233 WeakPolarHBondContact CA-O 3.22Å; R233-E235 PolarHBondContact O-N 2.86Å
234	L	87.1	Confident	84.3	Confident	58 Å²	58	52.3 Å²	52.3	30%	0.304	27%	0.272	S	S	.	.			trans	-59.2	117.9	-171.8	-68.3	174.4	0	0	0	112.1	V210 L213 M229 N232	V210-L234 HydrophobicContact CG1-CD2 3.93Å; V210-L234 PolarHBondContact O-N 3.17Å; L213-L234 HydrophobicContact CD1-CD1 4.46Å; L213-L234 HydrophobicContact CD1-CD2 4.06Å; L213-L234 HydrophobicContact CD2-CD2 4.4Å; L213-L234 HydrophobicContact CG-CD2 3.8Å; M229-L234 HydrophobicContact CE-CD1 4.46Å; N232-L234 HydrophobicContact CB-CG 4.35Å
235	E	88.8	Confident	82.6	Confident	171 Å²	171	52.2 Å²	52.2	80%	0.799	27%	0.273	S	S	*	.			trans	-108.1	-34.7	175.7	-70.4	175.8	-169.1	0	0	111.4	S211 R233	S211-E235 PolarHBondContact O-N 2.96Å; R233-E235 PolarHBondContact O-N 2.86Å
236	S	86	Confident	80.7	Confident	56 Å²	56	49.8 Å²	49.8	39%	0.392	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.6	179.6	71.8	0	0	0	0	113.3	S211 T212 L213	S211-S236 PolarHBondContact O-N 3.26Å; T212-S236 WeakPolarHBondContact CA-O 3.45Å; T212-S236 WeakPolarHBondContact CG2-OG 3.04Å; L213-S236 PolarHBondContact N-O 3.04Å
237	I	85.8	Confident	78.8	Confident	54 Å²	54	55.8 Å²	55.8	28%	0.277	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.2	173.3	-55.8	-176.3	0	0	0	106.4	L213 A241 F242 C259	L213-I237 HydrophobicContact CB-CG1 4.39Å; L213-I237 HydrophobicContact CB-CG2 4.21Å; L213-I237 HydrophobicContact CD1-CD1 4.19Å; L213-I237 HydrophobicContact CD1-CG1 4.15Å; L213-I237 HydrophobicContact CD1-CG2 4.46Å; I237-A241 HydrophobicContact CG2-CB 3.82Å; I237-F242 HydrophobicContact CD1-CE2 4.34Å; I237-F242 HydrophobicContact CG2-CD2 4.49Å; I237-F242 HydrophobicContact CG2-CE2 3.83Å; I237-C259 HydrophobicContact CD1-CB 4.36Å; I237-C259 WeakPolarHBondContact CD1-SG 3.18Å
238	E	84.9	Confident	76.5	Confident	104 Å²	104	58.2 Å²	58.2	49%	0.486	32%	0.317	S	S	.	.			trans	-69.7	156.1	176.3	-71.5	-178.3	-162.1	0	0	111.4	L213 A215 A241	L213-E238 PolarHBondContact O-N 3.25Å; A215-E238 HydrophobicContact CB-CB 4.2Å; A215-E238 WeakPolarHBondContact CB-OE2 3.43Å; A215-E238 PolarHBondContact N-OE2 3.24Å; E238-A241 WeakPolarHBondContact O-CB 2.92Å; E238-A241 PolarHBondContact O-N 3.35Å
239	E	80.3	Confident	74.6	Confident	158 Å²	158	58 Å²	58	74%	0.738	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	143.6	170.6	-170.1	166.9	-162.2	0	0	109.8	A215 A241	A215-E239 WeakPolarHBondContact CA-O 3.36Å; A215-E239 WeakPolarHBondContact CB-O 3.42Å; E239-A241 PolarHBondContact O-N 2.81Å
240	D	81.5	Confident	72.3	Confident	50 Å²	50	62.8 Å²	62.8	27%	0.267	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	11.9	179.1	-66	-36.7	0	0	0	116.9	Y216 F242 S243	Y216-D240 HydrophobicContact CD1-CB 4.22Å; Y216-D240 HydrophobicContact CE1-CB 3.68Å; Y216-D240 HydrophobicContact CE2-CB 4.42Å; Y216-D240 PolarHBondContact N-O 3.12Å; Y216-D240 PolarHBondContact OH-OD2 3.17Å; D240-F242 PolarHBondContact O-N 3.06Å; D240-F242 VanDerWaalsContact O-N 3.08Å; D240-S243 WeakPolarHBondContact O-CB 3.43Å; D240-S243 PolarHBondContact O-N 3.14Å; D240-S243 PolarHBondContact O-OG 3.32Å
241	A	79	Confident	70.1	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.008	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-35.5	169.1	0	0	0	0	0	112.2	L213 P214 I237 E238 E239	L213-A241 HydrophobicContact CB-CB 4.21Å; P214-A241 WeakPolarHBondContact O-CA 3.37Å; P214-A241 WeakPolarHBondContact O-CB 3.22Å; I237-A241 HydrophobicContact CG2-CB 3.82Å; E238-A241 WeakPolarHBondContact O-CB 2.92Å; E238-A241 PolarHBondContact O-N 3.35Å; E239-A241 PolarHBondContact O-N 2.81Å
242	F	77.4	Confident	68	Low	16 Å²	16	60.3 Å²	60.3	7%	0.07	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	7.3	177.2	-54.2	-72.2	0	0	0	114.5	L213 F218 L227 M229 I237 D240 A244 A245 A246 A252 L255	L213-F242 HydrophobicContact CD1-CE1 4.31Å; L213-F242 HydrophobicContact CD1-CE2 4.45Å; L213-F242 HydrophobicContact CD1-CZ 3.68Å; F218-F242 HydrophobicContact CD2-CD1 4.01Å; F218-F242 AromaticContact CD2-CE1 3.94Å; F218-F242 HydrophobicContact CD2-CE1 3.94Å; F218-F242 HydrophobicContact CE2-CE1 4.03Å; L227-F242 HydrophobicContact CD2-CD1 4.42Å; L227-F242 HydrophobicContact CD2-CE1 3.89Å; M229-F242 HydrophobicContact CE-CE1 4.04Å; M229-F242 HydrophobicContact CE-CZ 3.94Å; I237-F242 HydrophobicContact CD1-CE2 4.34Å; I237-F242 HydrophobicContact CG2-CD2 4.49Å; I237-F242 HydrophobicContact CG2-CE2 3.83Å; D240-F242 PolarHBondContact O-N 3.06Å; D240-F242 VanDerWaalsContact O-N 3.08Å; F242-A244 PolarHBondContact O-N 2.88Å; F242-A245 PolarHBondContact O-N 3.17Å; F242-A246 HydrophobicContact CB-CB 4.34Å; F242-A246 WeakPolarHBondContact O-CA 3.5Å; F242-A246 WeakPolarHBondContact O-CB 3.4Å; F242-A246 PolarHBondContact O-N 3.04Å; F242-A252 HydrophobicContact CB-CB 4.35Å; F242-L255 HydrophobicContact CD1-CD1 4.28Å; F242-L255 HydrophobicContact CD2-CB 4.48Å; F242-L255 HydrophobicContact CE1-CD1 3.89Å; F242-L255 HydrophobicContact CE2-CB 4.19Å; F242-L255 HydrophobicContact CE2-CD1 4.25Å; F242-L255 HydrophobicContact CE2-CD2 4.16Å; F242-L255 HydrophobicContact CE2-CG 4.44Å; F242-L255 HydrophobicContact CZ-CD1 3.87Å; F242-L255 HydrophobicContact CZ-CD2 3.91Å; F242-L255 HydrophobicContact CZ-CG 4.34Å
243	S	67.2	Low	65.8	Low	22 Å²	22	67.7 Å²	67.7	15%	0.154	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-30.2	-165.1	53.1	0	0	0	0	116.5	Y216 D240 Q247	Y216-S243 VanDerWaalsContact CD1-OG 3.23Å; Y216-S243 WeakPolarHBondContact CD1-OG 3.47Å; D240-S243 WeakPolarHBondContact O-CB 3.43Å; D240-S243 PolarHBondContact O-N 3.14Å; D240-S243 PolarHBondContact O-OG 3.32Å; S243-Q247 WeakPolarHBondContact O-CG 3.24Å; S243-Q247 PolarHBondContact O-NE2 3.46Å
244	A	58.1	Low	63.3	Low	15 Å²	15	67.3 Å²	67.3	12%	0.124	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-36.9	176	0	0	0	0	0	114.2	S219 F242 A246 Q247	S219-A244 WeakPolarHBondContact O-CB 3.3Å; F242-A244 PolarHBondContact O-N 2.88Å; A244-A246 PolarHBondContact O-N 2.71Å; A244-A246 VanDerWaalsContact O-N 3.14Å; A244-Q247 PolarHBondContact O-N 3.22Å
245	A	54.5	Low	61.2	Low	7 Å²	7	65.1 Å²	65.1	6%	0.058	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22	171.6	0	0	0	0	0	111.8	F218 L224 F242	F218-A245 HydrophobicContact CB-CB 4.09Å; L224-A245 HydrophobicContact CD2-CB 4.38Å; F242-A245 PolarHBondContact O-N 3.17Å
246	A	48.4	Very low	58.9	Low	19 Å²	19	63.5 Å²	63.5	16%	0.157	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-28.9	179.7	0	0	0	0	0	115.9	F242 A244 G248 S249 A252	F242-A246 HydrophobicContact CB-CB 4.34Å; F242-A246 WeakPolarHBondContact O-CA 3.5Å; F242-A246 WeakPolarHBondContact O-CB 3.4Å; F242-A246 PolarHBondContact O-N 3.04Å; A244-A246 PolarHBondContact O-N 2.71Å; A244-A246 VanDerWaalsContact O-N 3.14Å; A246-G248 PolarHBondContact O-N 3.01Å; A246-S249 PolarHBondContact O-N 2.82Å; A246-S249 VanDerWaalsContact O-N 3.15Å; A246-A252 HydrophobicContact CB-CB 3.08Å
247	Q	47.7	Very low	56.7	Low	167 Å²	167	64.3 Å²	64.3	78%	0.78	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-24	-167.1	-65.9	-180	33.4	0	0	112	S243 A244	S243-Q247 WeakPolarHBondContact O-CG 3.24Å; S243-Q247 PolarHBondContact O-NE2 3.46Å; A244-Q247 PolarHBondContact O-N 3.22Å
248	G	43.2	Very low	54.5	Low	58 Å²	58	66.1 Å²	66.1	60%	0.598	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-7.7	175.4	0	0	0	0	0	115.9	A246	A246-G248 PolarHBondContact O-N 3.01Å
249	S	46.5	Very low	52.4	Low	9 Å²	9	64.6 Å²	64.6	6%	0.063	33%	0.328	C	S	.	.			trans	-141.4	130	-168.1	179.2	0	0	0	0	115.8	A246 T251 A252 L273	A246-S249 PolarHBondContact O-N 2.82Å; A246-S249 VanDerWaalsContact O-N 3.15Å; S249-T251 PolarHBondContact O-N 3.16Å; S249-T251 WeakPolarHBondContact OG-CB 3.47Å; S249-T251 PolarHBondContact OG-N 3.36Å; S249-A252 PolarHBondContact O-N 2.71Å; S249-L273 WeakPolarHBondContact OG-CA 3.46Å; S249-L273 WeakPolarHBondContact OG-CB 3.45Å; S249-L273 WeakPolarHBondContact OG-CD2 3.35Å
250	R	40.5	Very low	50.2	Low	121 Å²	121	61.6 Å²	61.6	46%	0.457	33%	0.325	S	S	.	.	H	α-helix	trans	-51.4	-22.4	167.7	-78.8	-177.7	169.5	167	4.2	113.7	K253 R254 S277 I279	R250-K253 PolarHBondContact O-N 3.47Å; R250-R254 PolarHBondContact O-N 3.15Å; R250-R254 VanDerWaalsContact O-N 3.16Å; R250-S277 VanDerWaalsContact CZ-O 3.28Å; R250-S277 PolarHBondContact NH2-O 3.16Å; R250-I279 VanDerWaalsContact NH2-CD1 3.31Å
251	T	42.6	Very low	47.6	Very low	8 Å²	8	65.3 Å²	65.3	5%	0.049	34%	0.341	C	S	.	.	H	α-helix	trans	-76.5	-23.4	-174.9	-56.1	0	0	0	0	113	S249 R254 L255 L271 R272 L273	S249-T251 PolarHBondContact O-N 3.16Å; S249-T251 WeakPolarHBondContact OG-CB 3.47Å; S249-T251 PolarHBondContact OG-N 3.36Å; T251-R254 CarbonylContact O-C 3.13Å; T251-R254 WeakPolarHBondContact O-CA 3.37Å; T251-R254 WeakPolarHBondContact O-CB 3.48Å; T251-R254 PolarHBondContact O-N 3.5Å; T251-R254 VanDerWaalsContact O-N 3.16Å; T251-L255 PolarHBondContact O-N 3.21Å; T251-L271 HydrophobicContact CG2-CB 3.85Å; T251-L271 HydrophobicContact CG2-CD2 3.51Å; T251-L271 HydrophobicContact CG2-CG 4.3Å; T251-R272 WeakPolarHBondContact CG2-O 3.34Å; T251-R272 PolarHBondContact OG1-O 2.99Å; T251-L273 HydrophobicContact CG2-CD2 4.33Å; T251-L273 HydrophobicContact CG2-CG 4.24Å; T251-L273 VanDerWaalsContact OG1-CA 3.3Å; T251-L273 WeakPolarHBondContact OG1-CA 3.23Å
252	A	46.2	Very low	45.2	Very low	2 Å²	2	71.4 Å²	71.4	2%	0.017	38%	0.38	C	S	.	.	H	α-helix	trans	-75.1	-31	170.8	0	0	0	0	0	113.3	F242 A246 S249 R254 L255 R256	F242-A252 HydrophobicContact CB-CB 4.35Å; A246-A252 HydrophobicContact CB-CB 3.08Å; S249-A252 PolarHBondContact O-N 2.71Å; A252-R254 PolarHBondContact O-N 3.2Å; A252-L255 PolarHBondContact O-N 3Å; A252-R256 PolarHBondContact O-N 3.23Å
253	K	43.1	Very low	43.1	Very low	173 Å²	173	74.1 Å²	74.1	75%	0.752	40%	0.398	S	S	*	.	H	α-helix	trans	-61.8	-36	164.8	-87	-174.1	175.5	-177.5	0	111	R250 S257	R250-K253 PolarHBondContact O-N 3.47Å; K253-S257 PolarHBondContact O-N 3.18Å
254	R	39.7	Very low	41.3	Very low	145 Å²	145	78.8 Å²	78.8	55%	0.547	43%	0.428	S	S	.	.	H	α-helix	trans	-71	-36.9	177.8	-162.2	171.1	171.9	-151.7	-3.7	113.1	R250 T251 A252 S257 L258 L271	R250-R254 PolarHBondContact O-N 3.15Å; R250-R254 VanDerWaalsContact O-N 3.16Å; T251-R254 CarbonylContact O-C 3.13Å; T251-R254 WeakPolarHBondContact O-CA 3.37Å; T251-R254 WeakPolarHBondContact O-CB 3.48Å; T251-R254 PolarHBondContact O-N 3.5Å; T251-R254 VanDerWaalsContact O-N 3.16Å; A252-R254 PolarHBondContact O-N 3.2Å; R254-S257 WeakPolarHBondContact CA-OG 2.96Å; R254-S257 PolarHBondContact O-N 3.49Å; R254-S257 PolarHBondContact O-OG 3.46Å; R254-L258 HydrophobicContact CG-CD1 4.42Å; R254-L258 WeakPolarHBondContact O-CG 3.5Å; R254-L258 PolarHBondContact O-N 3.28Å; R254-L271 HydrophobicContact CG-CD2 4.49Å
255	L	43.3	Very low	40.3	Very low	12 Å²	12	83 Å²	83	6%	0.063	45%	0.452	C	S	.	.	H	α-helix	trans	-62	-44.3	171.8	-93.6	151.7	0	0	0	112.1	F242 T251 A252 S257 L258 C259 L271	F242-L255 HydrophobicContact CD1-CD1 4.28Å; F242-L255 HydrophobicContact CD2-CB 4.48Å; F242-L255 HydrophobicContact CE1-CD1 3.89Å; F242-L255 HydrophobicContact CE2-CB 4.19Å; F242-L255 HydrophobicContact CE2-CD1 4.25Å; F242-L255 HydrophobicContact CE2-CD2 4.16Å; F242-L255 HydrophobicContact CE2-CG 4.44Å; F242-L255 HydrophobicContact CZ-CD1 3.87Å; F242-L255 HydrophobicContact CZ-CD2 3.91Å; F242-L255 HydrophobicContact CZ-CG 4.34Å; T251-L255 PolarHBondContact O-N 3.21Å; A252-L255 PolarHBondContact O-N 3Å; L255-S257 VanDerWaalsContact C-N 3.26Å; L255-S257 PolarHBondContact O-N 3.22Å; L255-L258 PolarHBondContact O-N 3.21Å; L255-C259 PolarHBondContact O-N 3.31Å; L255-C259 PolarHBondContact O-SG 3.2Å; L255-L271 HydrophobicContact CD1-CD1 4.16Å; L255-L271 HydrophobicContact CD2-CD1 3.58Å; L255-L271 HydrophobicContact CG-CD1 3.67Å; L255-L271 HydrophobicContact CG-CD2 4.27Å
256	R	40.5	Very low	39.2	Very low	136 Å²	136	94.6 Å²	94.6	51%	0.513	49%	0.494	S	S	.	.	H	α-helix	trans	-56	-42.5	172.1	-66.6	-173.8	-155.4	-141.2	1.8	111.3	A252 L258 S260	A252-R256 PolarHBondContact O-N 3.23Å; R256-L258 PolarHBondContact O-N 2.82Å; R256-S260 PolarHBondContact O-N 3.08Å; R256-S260 PolarHBondContact O-OG 3.29Å; R256-S260 VanDerWaalsContact O-OG 3.08Å
257	S	40.8	Very low	38.5	Very low	74 Å²	74	98.2 Å²	98.2	52%	0.517	52%	0.518	S	S	.	.	H	α-helix	trans	-71.5	-26.7	179.9	71.2	0	0	0	0	115.2	K253 R254 L255	K253-S257 PolarHBondContact O-N 3.18Å; R254-S257 WeakPolarHBondContact CA-OG 2.96Å; R254-S257 PolarHBondContact O-N 3.49Å; R254-S257 PolarHBondContact O-OG 3.46Å; L255-S257 VanDerWaalsContact C-N 3.26Å; L255-S257 PolarHBondContact O-N 3.22Å
258	L	38.9	Very low	38.2	Very low	91 Å²	91	92.9 Å²	92.9	48%	0.476	50%	0.499	S	S	.	.	H	α-helix	trans	-79.8	-26.6	178.7	-75.1	165.3	0	0	0	112.4	R254 L255 R256 L271	R254-L258 HydrophobicContact CG-CD1 4.42Å; R254-L258 WeakPolarHBondContact O-CG 3.5Å; R254-L258 PolarHBondContact O-N 3.28Å; L255-L258 PolarHBondContact O-N 3.21Å; R256-L258 PolarHBondContact O-N 2.82Å; L258-L271 HydrophobicContact CD1-CD1 4.34Å; L258-L271 HydrophobicContact CD1-CD2 3.93Å
259	C	41	Very low	37.9	Very low	72 Å²	72	92.6 Å²	92.6	49%	0.486	50%	0.496	S	S	.	.	H	α-helix	trans	-96.6	-18	-175.9	-62.3	0	0	0	0	114.2	I237 L255 Q261	I237-C259 HydrophobicContact CD1-CB 4.36Å; I237-C259 WeakPolarHBondContact CD1-SG 3.18Å; L255-C259 PolarHBondContact O-N 3.31Å; L255-C259 PolarHBondContact O-SG 3.2Å; C259-Q261 PolarHBondContact O-N 3.14Å
260	S	33.8	Very low	37.3	Very low	96 Å²	96	97.7 Å²	97.7	67%	0.671	52%	0.519	S	S	*	.	S	Bend	trans	-78.2	5.4	173.7	-55.5	0	0	0	0	114.2	R256	R256-S260 PolarHBondContact O-N 3.08Å; R256-S260 PolarHBondContact O-OG 3.29Å; R256-S260 VanDerWaalsContact O-OG 3.08Å
261	Q	26.4	Very low	37.3	Very low	128 Å²	128	93.3 Å²	93.3	60%	0.598	50%	0.504	S	S	*	.	S	Bend	trans	-120.2	131.5	171.7	-66.2	-65.1	-28.2	0	0	108.2	C259 V263	C259-Q261 PolarHBondContact O-N 3.14Å; Q261-V263 HydrophobicContact CB-CG2 3.82Å; Q261-V263 PolarHBondContact O-N 2.77Å
262	P	30.4	Very low	36.8	Very low	129 Å²	129	100.3 Å²	100.3	84%	0.838	53%	0.53	S	S	*	.			trans	-70.5	78	167.8	29.6	-30.3	0	0	0	108.1
263	V	32.7	Very low	36.2	Very low	73 Å²	73	100.9 Å²	100.9	44%	0.442	53%	0.533	S	S	.	.			trans	-85.3	130.5	170.5	-178	0	0	0	0	107.1	Q261 V265	Q261-V263 HydrophobicContact CB-CG2 3.82Å; Q261-V263 PolarHBondContact O-N 2.77Å; V263-V265 WeakPolarHBondContact O-CG2 3.35Å; V263-V265 PolarHBondContact O-N 3.29Å
264	P	29.5	Very low	35.5	Very low	119 Å²	119	100.7 Å²	100.7	77%	0.773	53%	0.532	S	S	*	.			trans	-59.7	110	169.3	-15.9	28.6	0	0	0	108.4	R266	P264-R266 VanDerWaalsContact C-N 3.3Å; P264-R266 PolarHBondContact O-N 3.08Å
265	V	37.1	Very low	34.9	Very low	104 Å²	104	97.5 Å²	97.5	63%	0.63	53%	0.529	S	S	*	.	S	Bend	trans	-71.8	80.1	-169	-173.8	0	0	0	0	110.5	V263 S268	V263-V265 WeakPolarHBondContact O-CG2 3.35Å; V263-V265 PolarHBondContact O-N 3.29Å; V265-S268 WeakPolarHBondContact CG1-OG 3.42Å
266	R	30.5	Very low	34	Very low	251 Å²	251	99.5 Å²	99.5	95%	0.947	55%	0.552	S	S	*	*	S	Bend	trans	-117.5	12	162	-91.8	-170.8	172.1	-169.9	-1.6	112.9	P264	P264-R266 VanDerWaalsContact C-N 3.3Å; P264-R266 PolarHBondContact O-N 3.08Å
267	S	34.9	Very low	33.2	Very low	95 Å²	95	98.1 Å²	98.1	66%	0.664	56%	0.563	S	S	*	*			trans	-133.7	57.3	176.6	63.5	0	0	0	0	112.6	G269	S267-G269 PolarHBondContact O-N 2.95Å
268	S	39.8	Very low	32.4	Very low	54 Å²	54	99.1 Å²	99.1	38%	0.378	58%	0.576	S	S	.	*			trans	-75	70.6	167.8	-45.8	0	0	0	0	109.3	A230 V265	A230-S268 VanDerWaalsContact CB-O 3.27Å; A230-S268 WeakPolarHBondContact CB-O 3.37Å; V265-S268 WeakPolarHBondContact CG1-OG 3.42Å
269	G	37.5	Very low	31.6	Very low	52 Å²	52	101 Å²	101	54%	0.536	59%	0.585	S	S	.	*			trans	-65.8	147	176.7	0	0	0	0	0	111.8	S267 L271	S267-G269 PolarHBondContact O-N 2.95Å; G269-L271 PolarHBondContact O-N 2.95Å
270	Q	34.5	Very low	30.6	Very low	117 Å²	117	103.2 Å²	103.2	55%	0.547	60%	0.596	S	S	.	*			trans	-45.1	109.9	174.3	-152.4	177.7	43.2	0	0	111.5	R272	Q270-R272 HydrophobicContact CG-CG 4.5Å; Q270-R272 PolarHBondContact O-N 2.98Å
271	L	40.1	Very low	30.2	Very low	28 Å²	28	104 Å²	104	15%	0.147	60%	0.602	C	S	.	*			trans	-89.2	83.3	176.7	-83.4	153.7	0	0	0	109.9	L227 T251 R254 L255 L258 G269 L273	L227-L271 VanDerWaalsContact O-O 3.09Å; T251-L271 HydrophobicContact CG2-CB 3.85Å; T251-L271 HydrophobicContact CG2-CD2 3.51Å; T251-L271 HydrophobicContact CG2-CG 4.3Å; R254-L271 HydrophobicContact CG-CD2 4.49Å; L255-L271 HydrophobicContact CD1-CD1 4.16Å; L255-L271 HydrophobicContact CD2-CD1 3.58Å; L255-L271 HydrophobicContact CG-CD1 3.67Å; L255-L271 HydrophobicContact CG-CD2 4.27Å; L258-L271 HydrophobicContact CD1-CD1 4.34Å; L258-L271 HydrophobicContact CD1-CD2 3.93Å; G269-L271 PolarHBondContact O-N 2.95Å; L271-L273 PolarHBondContact O-N 3.06Å
272	R	31.8	Very low	29.9	Very low	155 Å²	155	104.5 Å²	104.5	59%	0.585	61%	0.614	S	S	*	*	B	Isolated β-bridge	trans	-71.6	123.7	171.1	-69.8	-174.5	177.8	-140.3	-0.2	110.3	T251 Q270 K274	T251-R272 WeakPolarHBondContact CG2-O 3.34Å; T251-R272 PolarHBondContact OG1-O 2.99Å; Q270-R272 HydrophobicContact CG-CG 4.5Å; Q270-R272 PolarHBondContact O-N 2.98Å; R272-K274 PolarHBondContact O-N 3.27Å; R272-K274 VanDerWaalsContact O-N 3.07Å
273	L	34.8	Very low	29.7	Very low	14 Å²	14	102 Å²	102	7%	0.073	61%	0.611	C	S	.	*			trans	-76.4	87.2	170.1	-55.4	134.1	0	0	0	107.8	L224 E225 L227 S249 T251 L271 T275	L224-L273 HydrophobicContact CD2-CD1 4.34Å; L224-L273 HydrophobicContact CG-CD1 4.05Å; E225-L273 CarbonylContact O-C 3.45Å; E225-L273 VanDerWaalsContact O-CA 3.3Å; E225-L273 WeakPolarHBondContact O-CA 3.19Å; E225-L273 WeakPolarHBondContact O-CB 3.08Å; E225-L273 PolarHBondContact O-N 2.91Å; E225-L273 VanDerWaalsContact O-N 3.16Å; L227-L273 HydrophobicContact CB-CD1 4.04Å; S249-L273 WeakPolarHBondContact OG-CA 3.46Å; S249-L273 WeakPolarHBondContact OG-CB 3.45Å; S249-L273 WeakPolarHBondContact OG-CD2 3.35Å; T251-L273 HydrophobicContact CG2-CD2 4.33Å; T251-L273 HydrophobicContact CG2-CG 4.24Å; T251-L273 VanDerWaalsContact OG1-CA 3.3Å; T251-L273 WeakPolarHBondContact OG1-CA 3.23Å; L271-L273 PolarHBondContact O-N 3.06Å; L273-T275 PolarHBondContact O-N 2.82Å
274	K	26.9	Very low	29.1	Very low	170 Å²	170	109.8 Å²	109.8	74%	0.739	63%	0.633	S	S	*	*			trans	-70.2	99.7	169.3	-84.7	-168.9	176.7	-176.5	0	108.6	R272 G276	R272-K274 PolarHBondContact O-N 3.27Å; R272-K274 VanDerWaalsContact O-N 3.07Å; K274-G276 PolarHBondContact O-N 3.44Å
275	T	27.5	Very low	29.8	Very low	78 Å²	78	113 Å²	113	48%	0.479	65%	0.654	S	S	.	*			trans	-68.5	117.2	160.4	53.5	0	0	0	0	106.9	E225 L273	E225-T275 HydrophobicContact CG-CG2 4.07Å; L273-T275 PolarHBondContact O-N 2.82Å
276	G	24.8	Very low	29.4	Very low	53 Å²	53	113.5 Å²	113.5	55%	0.546	66%	0.655	S	S	.	*			trans	162.7	103.5	-176.7	0	0	0	0	0	114.7	K274	K274-G276 PolarHBondContact O-N 3.44Å
277	S	23.6	Very low	29.4	Very low	108 Å²	108	106.3 Å²	106.3	76%	0.755	64%	0.64	S	S	*	*			trans	62.1	115.3	158.8	-59.2	0	0	0	0	118.4	R250	R250-S277 VanDerWaalsContact CZ-O 3.28Å; R250-S277 PolarHBondContact NH2-O 3.16Å
278	A	23.1	Very low	29.1	Very low	94 Å²	94	106.9 Å²	106.9	78%	0.777	64%	0.638	S	S	*	*			trans	-36.6	131.6	166.7	0	0	0	0	0	112.9
279	I	22	Very low	28.4	Very low	130 Å²	130	110 Å²	110	67%	0.667	65%	0.654	S	S	*	*			trans	-123.8	101.8	153.3	-69.2	165.7	0	0	0	103.6	R250 S281	R250-I279 VanDerWaalsContact NH2-CD1 3.31Å; I279-S281 PolarHBondContact O-N 3.28Å
280	T	20.9	Very low	27.9	Very low	119 Å²	119	113.6 Å²	113.6	73%	0.73	66%	0.661	S	S	*	*			trans	-41	114	152.2	44.3	0	0	0	0	109.4
281	S	24.4	Very low	27.4	Very low	113 Å²	113	113.4 Å²	113.4	79%	0.79	67%	0.669	S	S	*	*			trans	-102.2	88.9	156.8	67.4	0	0	0	0	107.6	I279 G283	I279-S281 PolarHBondContact O-N 3.28Å; S281-G283 PolarHBondContact O-N 3.39Å
282	T	21.4	Very low	26.5	Very low	138 Å²	138	119.5 Å²	119.5	85%	0.847	71%	0.706	S	S	*	*			trans	-54.3	120.1	149.9	44.6	0	0	0	0	108.3
283	G	24.8	Very low	26.1	Very low	76 Å²	76	116.8 Å²	116.8	78%	0.784	72%	0.715	S	S	*	*			trans	-146.5	79.7	171.6	0	0	0	0	0	108.4	S281	S281-G283 PolarHBondContact O-N 3.39Å
284	R	21.6	Very low	25.4	Very low	238 Å²	238	125.3 Å²	125.3	90%	0.898	77%	0.769	S	S	*	*			trans	-69.3	170.1	157.2	-106.1	-161.2	-176.4	-176.5	1.1	109.9
285	P	43.8	Very low	25.3	Very low	187 Å²	187	121.3 Å²	121.3	100%	1.214	77%	0.771	S	S	*	*			cis	-111.3	0	-1.5	34.3	-20.3	0	0	0	114.5

Retrieved 285 of 285 residues in 360.1 ms (Link to these results)

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