A0A2K5LC63_CERAT Loading...

Leucine rich repeat containing 52

AlphaFold DB , UniProt , Accession A0A2K5LC63, Species CERAT (Cercocebus atys, Sooty mangabey), Gene LRRC52, Length 313 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	37.1	Very low	39	Very low	242 Å²	242	131 Å²	131	100%	1.192	84%	0.84	S	S	*	*				0	132.6	0	-78.5	170.7	170.3	0	0	107.8
2	S	32.3	Very low	39.2	Very low	113 Å²	113	132.9 Å²	132.9	79%	0.79	84%	0.837	S	S	*	*			trans	72.3	136	170	-179.4	0	0	0	0	116.6
3	L	34.9	Very low	39.8	Very low	163 Å²	163	134.9 Å²	134.9	85%	0.853	84%	0.837	S	S	*	*			cis	-159	158.9	-10.7	-129.8	107.4	0	0	0	107.4
4	A	34.4	Very low	40	Very low	94 Å²	94	137.9 Å²	137.9	78%	0.777	83%	0.832	S	S	*	*			trans	-63.2	151.3	-179.3	0	0	0	0	0	115.7
5	S	37	Very low	40.5	Very low	126 Å²	126	136.1 Å²	136.1	88%	0.881	83%	0.828	S	S	*	*			trans	-151.6	110.1	146.5	63.1	0	0	0	0	110.1
6	G	36.9	Very low	40.9	Very low	69 Å²	69	139.4 Å²	139.4	71%	0.711	83%	0.828	S	S	*	*			trans	-151.1	140.7	172.3	0	0	0	0	0	109.9
7	P	42.4	Very low	40.9	Very low	137 Å²	137	134.9 Å²	134.9	89%	0.89	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-81.5	147.5	-168.8	33.5	-33.6	0	0	0	112
8	G	43.8	Very low	41.5	Very low	71 Å²	71	137.6 Å²	137.6	73%	0.732	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.6	161.9	-167.8	0	0	0	0	0	116
9	P	43.4	Very low	41.3	Very low	114 Å²	114	133.7 Å²	133.7	74%	0.74	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-88.4	132.9	171.2	33.3	-27.5	0	0	0	110.7	W11	P9-W11 PolarHBondContact O-N 3.38Å
10	G	41.2	Very low	41.5	Very low	75 Å²	75	135.4 Å²	135.4	77%	0.773	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-61.7	127	171.9	0	0	0	0	0	111	L12	G10-L12 PolarHBondContact O-N 2.96Å
11	W	45.5	Very low	41.6	Very low	237 Å²	237	135.3 Å²	135.3	90%	0.898	82%	0.817	S	S	*	*			trans	-73.7	105.6	173.4	-71.4	57.4	0	0	0	108.1	P9 L13	P9-W11 PolarHBondContact O-N 3.38Å; W11-L13 VanDerWaalsContact C-N 3.35Å; W11-L13 PolarHBondContact O-N 3.26Å
12	L	40.9	Very low	41.9	Very low	154 Å²	154	129.2 Å²	129.2	81%	0.806	80%	0.798	S	S	*	*			trans	-67	97.8	162	-75.5	167.2	0	0	0	107.5	G10 F14	G10-L12 PolarHBondContact O-N 2.96Å; L12-F14 VanDerWaalsContact C-N 3.32Å; L12-F14 PolarHBondContact O-N 3.42Å
13	L	47.7	Very low	42.9	Very low	159 Å²	159	126.6 Å²	126.6	83%	0.832	79%	0.789	S	S	*	*			trans	-64.7	96.8	162.8	-75.2	168.5	0	0	0	107.5	W11 S15	W11-L13 VanDerWaalsContact C-N 3.35Å; W11-L13 PolarHBondContact O-N 3.26Å; L13-S15 PolarHBondContact O-N 2.77Å
14	F	42.9	Very low	44.3	Very low	176 Å²	176	121.4 Å²	121.4	77%	0.772	77%	0.766	S	S	*	*			trans	-65.4	88.5	158.5	-89.2	-88.1	0	0	0	107.4	L12 F16	L12-F14 VanDerWaalsContact C-N 3.32Å; L12-F14 PolarHBondContact O-N 3.42Å; F14-F16 PolarHBondContact O-N 2.66Å
15	S	47.4	Very low	46.6	Very low	111 Å²	111	125.5 Å²	125.5	78%	0.776	77%	0.767	S	S	*	*			trans	-62	90.5	157.4	48.1	0	0	0	0	107.1	L13 G17	L13-S15 PolarHBondContact O-N 2.77Å; S15-G17 PolarHBondContact O-N 3.43Å
16	F	47	Very low	49.1	Very low	189 Å²	189	121.9 Å²	121.9	83%	0.829	74%	0.74	S	S	*	*			trans	-60.9	89.9	158	-110.1	-97.5	0	0	0	105.9	F14 M18	F14-F16 PolarHBondContact O-N 2.66Å; F16-M18 VanDerWaalsContact C-N 3.28Å; F16-M18 PolarHBondContact O-N 3.09Å
17	G	41.2	Very low	51.6	Low	64 Å²	64	118.9 Å²	118.9	66%	0.66	71%	0.708	S	S	*	*			trans	-57.3	103.6	158.3	0	0	0	0	0	105.7	S15 G19	S15-G17 PolarHBondContact O-N 3.43Å; G17-G19 PolarHBondContact O-N 3.23Å
18	M	51	Low	53.7	Low	183 Å²	183	118.7 Å²	118.7	90%	0.901	70%	0.7	S	S	*	*			trans	-56.7	92.5	151.9	-81.6	-177.2	172	0	0	104.8	F16 L20	F16-M18 VanDerWaalsContact C-N 3.28Å; F16-M18 PolarHBondContact O-N 3.09Å; M18-L20 PolarHBondContact O-N 3.21Å
19	G	38.3	Very low	55.7	Low	63 Å²	63	121.1 Å²	121.1	65%	0.649	70%	0.696	S	S	*	*			trans	-54.2	109.7	166.6	0	0	0	0	0	105.5	G17 V21	G17-G19 PolarHBondContact O-N 3.23Å; G19-V21 VanDerWaalsContact C-N 3.27Å; G19-V21 PolarHBondContact O-N 2.83Å
20	L	44.5	Very low	58.1	Low	167 Å²	167	116.6 Å²	116.6	87%	0.874	67%	0.667	S	S	*	*			trans	-49.2	105.4	157.9	-82.7	156.1	0	0	0	105.1	M18 S22	M18-L20 PolarHBondContact O-N 3.21Å; L20-S22 PolarHBondContact O-N 2.81Å
21	V	44.4	Very low	60.6	Low	135 Å²	135	117.9 Å²	117.9	82%	0.818	66%	0.656	S	S	*	*			trans	-49.5	113.9	166.9	175.5	0	0	0	0	104.2	G19 G23	G19-V21 VanDerWaalsContact C-N 3.27Å; G19-V21 PolarHBondContact O-N 2.83Å; V21-G23 VanDerWaalsContact C-N 3.32Å; V21-G23 PolarHBondContact O-N 2.86Å
22	S	42.8	Very low	62.9	Low	114 Å²	114	108.7 Å²	108.7	80%	0.797	63%	0.627	S	S	*	*			trans	-53	105.5	175.9	-88.8	0	0	0	0	106.4	L20 S24	L20-S22 PolarHBondContact O-N 2.81Å; S22-S24 PolarHBondContact O-N 2.8Å
23	G	54.3	Low	65.4	Low	58 Å²	58	107.5 Å²	107.5	60%	0.598	62%	0.617	S	S	*	*			trans	-51.5	128	168.9	0	0	0	0	0	106.5	V21 K25	V21-G23 VanDerWaalsContact C-N 3.32Å; V21-G23 PolarHBondContact O-N 2.86Å; G23-K25 PolarHBondContact O-N 3.36Å; G23-K25 VanDerWaalsContact O-N 3.13Å
24	S	63.4	Low	67.4	Low	54 Å²	54	104.5 Å²	104.5	38%	0.378	62%	0.616	S	S	.	*			trans	-27.2	120	158.4	37.9	0	0	0	0	109.6	S22 C26 P52	S22-S24 PolarHBondContact O-N 2.8Å; S24-C26 PolarHBondContact O-N 2.03Å; S24-P52 WeakPolarHBondContact OG-CA 3.23Å; S24-P52 WeakPolarHBondContact OG-CB 3.35Å
25	K	81.8	Confident	69.8	Low	180 Å²	180	99.9 Å²	99.9	78%	0.783	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-56.8	133.9	-175.8	-69.8	179.7	178.6	177.1	0	108.6	G23	G23-K25 PolarHBondContact O-N 3.36Å; G23-K25 VanDerWaalsContact O-N 3.13Å
26	C	89.7	Confident	72.2	Confident	49 Å²	49	97.4 Å²	97.4	33%	0.331	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-57.4	138.7	174.4	-172.1	0	0	0	0	109.8	S24 C32	S24-C26 PolarHBondContact O-N 2.03Å; C26-C32 VanDerWaalsContact CA-SG 3.52Å; C26-C32 HydrophobicContact CB-CB 3.73Å; C26-C32 WeakPolarHBondContact CB-SG 3.49Å; C26-C32 WeakPolarHBondContact SG-CB 2.99Å; C26-C32 PolarHBondContact SG-N 2.89Å; C26-C32 VanDerWaalsContact SG-N 3.36Å; C26-C32 CovalentContact SG-SG 2.03Å; C26-C32 PolarHBondContact SG-SG 3.38Å
27	P	91.1	Very high	74.6	Confident	6 Å²	6	88.5 Å²	88.5	4%	0.039	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-56.4	142.8	176.4	-22.8	31	0	0	0	111.5	N29 C30 P48 D50 I51	P27-N29 PolarHBondContact O-N 3.36Å; P27-C30 HydrophobicContact CB-CB 4.15Å; P27-C30 PolarHBondContact O-N 2.78Å; P27-C30 VanDerWaalsContact O-N 3.11Å; P27-P48 HydrophobicContact CB-CB 3.91Å; P27-P48 HydrophobicContact CG-CB 4.17Å; P27-D50 WeakPolarHBondContact CD-O 3.37Å; P27-D50 HydrophobicContact CG-CB 4.49Å; P27-D50 WeakPolarHBondContact CG-O 3.41Å; P27-I51 HydrophobicContact CG-CG1 3.94Å
28	N	84.9	Confident	77.3	Confident	134 Å²	134	87.9 Å²	87.9	72%	0.717	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	138.8	175.7	-67.3	-42.5	0	0	0	110.3	C30	N28-C30 PolarHBondContact O-N 2.99Å
29	N	85.9	Confident	79.4	Confident	122 Å²	122	79.1 Å²	79.1	65%	0.652	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	-1.4	-177.7	-52.4	-40.7	0	0	0	116.2	P27 K42	P27-N29 PolarHBondContact O-N 3.36Å; N29-K42 HydrophobicContact CB-CD 4.46Å; N29-K42 WeakPolarHBondContact O-CD 3.12Å; N29-K42 WeakPolarHBondContact O-CE 3.33Å; N29-K42 WeakPolarHBondContact O-CG 3.13Å; N29-K42 PolarHBondContact O-NZ 3.45Å
30	C	94.1	Very high	82.2	Confident	18 Å²	18	78 Å²	78	12%	0.122	45%	0.452	C	S	.	.			trans	-96.2	156.9	171.3	-59.3	0	0	0	0	111.7	P27 N28 V37 I38 C39	P27-C30 HydrophobicContact CB-CB 4.15Å; P27-C30 PolarHBondContact O-N 2.78Å; P27-C30 VanDerWaalsContact O-N 3.11Å; N28-C30 PolarHBondContact O-N 2.99Å; C30-V37 HydrophobicContact CB-CG1 4.44Å; C30-I38 WeakPolarHBondContact CA-O 3.32Å; C30-C39 HydrophobicContact CB-CB 4.14Å; C30-C39 WeakPolarHBondContact CB-SG 3.43Å; C30-C39 WeakPolarHBondContact SG-CB 3.45Å; C30-C39 CovalentContact SG-SG 2.03Å; C30-C39 PolarHBondContact SG-SG 2.97Å
31	L	94.6	Very high	84.7	Confident	102 Å²	102	72.8 Å²	72.8	53%	0.534	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.1	172.7	-179.7	73.1	0	0	0	108.5	I38	L31-I38 HydrophobicContact CB-CB 4.33Å; L31-I38 HydrophobicContact CD2-CD1 4.35Å; L31-I38 PolarHBondContact N-O 2.9Å; L31-I38 PolarHBondContact O-N 3.33Å
32	C	94.2	Very high	87.2	Confident	45 Å²	45	70.9 Å²	70.9	30%	0.304	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.6	175.4	-57.5	0	0	0	0	109.7	C26 E36 V37	C26-C32 VanDerWaalsContact CA-SG 3.52Å; C26-C32 HydrophobicContact CB-CB 3.73Å; C26-C32 WeakPolarHBondContact CB-SG 3.49Å; C26-C32 WeakPolarHBondContact SG-CB 2.99Å; C26-C32 PolarHBondContact SG-N 2.89Å; C26-C32 VanDerWaalsContact SG-N 3.36Å; C26-C32 CovalentContact SG-SG 2.03Å; C26-C32 PolarHBondContact SG-SG 3.38Å; C32-E36 WeakPolarHBondContact CA-O 3.35Å; C32-V37 HydrophobicContact CB-CG2 4.5Å
33	Q	91.4	Very high	89.7	Confident	128 Å²	128	72.7 Å²	72.7	60%	0.598	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	112.8	177.1	-176.5	171.7	-21.9	0	0	109.4	Q35 E36	Q33-Q35 PolarHBondContact O-N 2.03Å; Q33-E36 PolarHBondContact N-O 3.37Å; Q33-E36 PolarHBondContact O-N 3.19Å
34	A	90.1	Very high	91.7	Very high	96 Å²	96	71.3 Å²	71.3	79%	0.793	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-100.9	-175.3	0	0	0	0	0	113.3
35	Q	94.7	Very high	93.2	Very high	80 Å²	80	73 Å²	73	37%	0.374	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	13.4	179.3	-64	178.9	-30.8	0	0	112	Q33 N54 R56 R57	Q33-Q35 PolarHBondContact O-N 2.03Å; Q35-N54 WeakPolarHBondContact CG-O 3.47Å; Q35-R56 HydrophobicContact CB-CB 4.07Å; Q35-R56 HydrophobicContact CB-CG 4.02Å; Q35-R56 HydrophobicContact CG-CG 4.46Å; Q35-R56 PolarHBondContact O-N 3.11Å; Q35-R57 PolarHBondContact O-N 3.43Å; Q35-R57 VanDerWaalsContact O-N 3.13Å
36	E	97.1	Very high	93.9	Very high	59 Å²	59	71.5 Å²	71.5	28%	0.276	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.4	176.9	-52.2	-166.3	157.2	0	0	109.8	C32 Q33 R57	C32-E36 WeakPolarHBondContact CA-O 3.35Å; Q33-E36 PolarHBondContact N-O 3.37Å; Q33-E36 PolarHBondContact O-N 3.19Å; E36-R57 WeakPolarHBondContact CA-O 3.37Å; E36-R57 HydrophobicContact CB-CB 4.37Å; E36-R57 HydrophobicContact CG-CB 4.03Å; E36-R57 HydrophobicContact CG-CG 4.36Å; E36-R57 WeakPolarHBondContact OE1-CD 3.05Å; E36-R57 IonicContact OE1-CZ 3.64Å; E36-R57 IonicContact OE1-NE 3.72Å; E36-R57 IonicContact OE1-NH1 2.76Å; E36-R57 PolarHBondContact OE1-NH1 2.97Å
37	V	97.1	Very high	94.1	Very high	2 Å²	2	69.8 Å²	69.8	1%	0.012	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.4	176.6	179.1	0	0	0	0	108.2	C30 C32 I51 P52 T55 R57 L58 F59	C30-V37 HydrophobicContact CB-CG1 4.44Å; C32-V37 HydrophobicContact CB-CG2 4.5Å; V37-I51 HydrophobicContact CG2-CG2 4.33Å; V37-P52 HydrophobicContact CG2-CG 4.46Å; V37-T55 HydrophobicContact CB-CG2 4.08Å; V37-T55 HydrophobicContact CG2-CG2 3.68Å; V37-T55 VanDerWaalsContact CG2-OG1 3.26Å; V37-T55 WeakPolarHBondContact CG2-OG1 3.39Å; V37-R57 PolarHBondContact N-O 3.29Å; V37-L58 HydrophobicContact CB-CD1 3.9Å; V37-L58 HydrophobicContact CG1-CD1 3.9Å; V37-F59 PolarHBondContact O-N 2.84Å
38	I	97.6	Very high	94.2	Very high	50 Å²	50	70.4 Å²	70.4	26%	0.256	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	107.1	-174.4	-56.7	167.8	0	0	0	109	C30 L31 F59	C30-I38 WeakPolarHBondContact CA-O 3.32Å; L31-I38 HydrophobicContact CB-CB 4.33Å; L31-I38 HydrophobicContact CD2-CD1 4.35Å; L31-I38 PolarHBondContact N-O 2.9Å; L31-I38 PolarHBondContact O-N 3.33Å; I38-F59 HydrophobicContact CG1-CD2 3.84Å; I38-F59 HydrophobicContact CG1-CE2 4.38Å
39	C	96.6	Very high	94.5	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.376	C	S	.	.			trans	-116.9	25.1	177.9	-62.1	0	0	0	0	111.7	C30 K42 L44 F59 L60 N63	C30-C39 HydrophobicContact CB-CB 4.14Å; C30-C39 WeakPolarHBondContact CB-SG 3.43Å; C30-C39 WeakPolarHBondContact SG-CB 3.45Å; C30-C39 CovalentContact SG-SG 2.03Å; C30-C39 PolarHBondContact SG-SG 2.97Å; C39-K42 WeakPolarHBondContact O-CG 3.02Å; C39-L44 HydrophobicContact CB-CD1 3.86Å; C39-F59 CarbonylContact C-O 3.43Å; C39-F59 WeakPolarHBondContact CA-O 3.31Å; C39-F59 WeakPolarHBondContact CB-O 3.26Å; C39-F59 PolarHBondContact N-O 2.9Å; C39-L60 HydrophobicContact CB-CD2 3.93Å; C39-N63 PolarHBondContact O-ND2 2.9Å
40	T	97.1	Very high	94.7	Very high	40 Å²	40	68.4 Å²	68.4	25%	0.245	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	135.2	-177.4	-49.4	0	0	0	0	112.5	K42 N61 E62	T40-K42 VanDerWaalsContact C-N 3.26Å; T40-K42 WeakPolarHBondContact O-CE 3.29Å; T40-K42 WeakPolarHBondContact O-CG 3Å; T40-K42 PolarHBondContact O-N 2.92Å; T40-N61 WeakPolarHBondContact CA-O 3.33Å; T40-N61 WeakPolarHBondContact CB-OD1 3.37Å; T40-N61 WeakPolarHBondContact CG2-ND2 3.38Å; T40-N61 WeakPolarHBondContact CG2-OD1 3.35Å; T40-N61 PolarHBondContact OG1-OD1 2.98Å; T40-E62 HydrophobicContact CG2-CB 4.44Å
41	A	96.9	Very high	94.7	Very high	57 Å²	57	68 Å²	68	47%	0.471	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	36.3	173.4	0	0	0	0	0	114.6	N61 E62	A41-N61 PolarHBondContact N-O 3.42Å; A41-N61 VanDerWaalsContact N-O 3.09Å; A41-E62 VanDerWaalsContact CA-O 3.31Å; A41-E62 WeakPolarHBondContact CA-O 3.4Å; A41-E62 HydrophobicContact CB-CB 4.12Å
42	K	96	Very high	94.7	Very high	95 Å²	95	63.7 Å²	63.7	41%	0.413	35%	0.346	S	S	.	.	S	Bend	trans	-95.5	6.9	-179.9	-59.7	-55.4	177	169.1	0	113.8	N29 C39 T40 L44 N63	N29-K42 HydrophobicContact CB-CD 4.46Å; N29-K42 WeakPolarHBondContact O-CD 3.12Å; N29-K42 WeakPolarHBondContact O-CE 3.33Å; N29-K42 WeakPolarHBondContact O-CG 3.13Å; N29-K42 PolarHBondContact O-NZ 3.45Å; C39-K42 WeakPolarHBondContact O-CG 3.02Å; T40-K42 VanDerWaalsContact C-N 3.26Å; T40-K42 WeakPolarHBondContact O-CE 3.29Å; T40-K42 WeakPolarHBondContact O-CG 3Å; T40-K42 PolarHBondContact O-N 2.92Å; K42-L44 HydrophobicContact CB-CD1 4.37Å; K42-L44 HydrophobicContact CB-CD2 4.25Å; K42-L44 HydrophobicContact CB-CG 3.92Å; K42-L44 PolarHBondContact O-N 2.99Å; K42-N63 WeakPolarHBondContact CA-OD1 3.02Å; K42-N63 PolarHBondContact N-OD1 2.89Å
43	Q	95.6	Very high	94.7	Very high	151 Å²	151	66.3 Å²	66.3	71%	0.706	36%	0.357	S	S	*	.			trans	58	29	-178.8	-53.4	177.2	-1.9	0	0	112.9	T45 N63	Q43-T45 PolarHBondContact O-N 3.04Å; Q43-N63 PolarHBondContact N-OD1 3.39Å
44	L	95.5	Very high	94.8	Very high	30 Å²	30	64 Å²	64	16%	0.157	35%	0.349	C	S	.	.			trans	-65	128.1	179.8	-59.2	174.5	0	0	0	109.9	C39 K42 P48 L60 N63 R64 I65	C39-L44 HydrophobicContact CB-CD1 3.86Å; K42-L44 HydrophobicContact CB-CD1 4.37Å; K42-L44 HydrophobicContact CB-CD2 4.25Å; K42-L44 HydrophobicContact CB-CG 3.92Å; K42-L44 PolarHBondContact O-N 2.99Å; L44-P48 HydrophobicContact CD1-CG 4.36Å; L44-L60 HydrophobicContact CD1-CD2 4.42Å; L44-N63 HydrophobicContact CB-CB 4.08Å; L44-N63 PolarHBondContact N-OD1 2.66Å; L44-R64 CarbonylContact O-C 3.51Å; L44-R64 VanDerWaalsContact O-CA 3.29Å; L44-R64 WeakPolarHBondContact O-CA 3.41Å; L44-R64 PolarHBondContact O-N 2.76Å; L44-I65 HydrophobicContact CB-CD1 4.47Å; L44-I65 HydrophobicContact CB-CG1 4.22Å; L44-I65 PolarHBondContact O-N 3.33Å
45	T	95.6	Very high	95.1	Very high	89 Å²	89	59.5 Å²	59.5	55%	0.546	31%	0.311	S	S	.	.	S	Bend	trans	-90.4	-22.4	174.1	52.8	0	0	0	0	112.2	Q43	Q43-T45 PolarHBondContact O-N 3.04Å
46	E	95.7	Very high	95.3	Very high	148 Å²	148	60.7 Å²	60.7	69%	0.692	31%	0.312	S	S	*	.	S	Bend	trans	-133.4	158.9	-177.6	-64.7	-176.7	-176.4	0	0	110.4
47	Y	95.1	Very high	95.4	Very high	14 Å²	14	63.6 Å²	63.6	6%	0.055	32%	0.321	C	S	.	.			trans	-65.3	129.8	174.7	177.2	-86.4	0	0	0	110.8	L49 I51 L58 L60 L68 P69 H72 L73 L76	Y47-L49 HydrophobicContact CD1-CD2 4.44Å; Y47-L49 PolarHBondContact O-N 3.3Å; Y47-I51 HydrophobicContact CE1-CD1 3.84Å; Y47-I51 HydrophobicContact CE2-CD1 3.85Å; Y47-I51 VanDerWaalsContact OH-CD1 3.26Å; Y47-I51 WeakPolarHBondContact OH-CD1 3.22Å; Y47-L58 HydrophobicContact CE2-CD2 4.22Å; Y47-L60 HydrophobicContact CD2-CD1 3.75Å; Y47-L60 HydrophobicContact CE2-CD1 3.8Å; Y47-L68 HydrophobicContact CD2-CD2 4.37Å; Y47-P69 VanDerWaalsContact CB-CD 3.41Å; Y47-P69 HydrophobicContact CD1-CG 3.43Å; Y47-P69 VanDerWaalsContact CD1-CG 3.43Å; Y47-P69 HydrophobicContact CD2-CG 4.33Å; Y47-P69 HydrophobicContact CE1-CG 4.1Å; Y47-P69 VanDerWaalsContact CG-CD 3.49Å; Y47-P69 HydrophobicContact CG-CG 3.56Å; Y47-H72 HydrophobicContact CD1-CB 4.34Å; Y47-H72 HydrophobicContact CE1-CB 3.82Å; Y47-L73 HydrophobicContact CE2-CD1 4.36Å; Y47-L76 WeakPolarHBondContact OH-CD1 3.48Å
48	P	93.4	Very high	95.4	Very high	19 Å²	19	63.5 Å²	63.5	12%	0.123	32%	0.32	C	S	.	.			trans	-71.9	125.5	-179.1	26	-29.5	0	0	0	111.5	P27 L44 I51 L60	P27-P48 HydrophobicContact CB-CB 3.91Å; P27-P48 HydrophobicContact CG-CB 4.17Å; L44-P48 HydrophobicContact CD1-CG 4.36Å; P48-I51 HydrophobicContact CB-CG1 4.47Å; P48-I51 HydrophobicContact CG-CD1 3.79Å; P48-I51 HydrophobicContact CG-CG1 4.01Å; P48-I51 WeakPolarHBondContact O-CD1 3.17Å; P48-I51 WeakPolarHBondContact O-CG1 3.35Å; P48-L60 HydrophobicContact CG-CD2 3.94Å
49	L	90.3	Very high	95.5	Very high	108 Å²	108	63 Å²	63	57%	0.565	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.6	-174.3	-56.5	-178.7	0	0	0	113.7	Y47 I51 H72	Y47-L49 HydrophobicContact CD1-CD2 4.44Å; Y47-L49 PolarHBondContact O-N 3.3Å; L49-I51 VanDerWaalsContact C-N 3.27Å; L49-I51 PolarHBondContact O-N 2.78Å; L49-H72 HydrophobicContact CD2-CB 4.5Å
50	D	90.3	Very high	95.5	Very high	105 Å²	105	63 Å²	63	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	30.8	-174	-59.9	-46.1	0	0	0	113.2	P27 P52	P27-D50 WeakPolarHBondContact CD-O 3.37Å; P27-D50 HydrophobicContact CG-CB 4.49Å; P27-D50 WeakPolarHBondContact CG-O 3.41Å; D50-P52 WeakPolarHBondContact O-CD 3.34Å
51	I	94.1	Very high	95.6	Very high	10 Å²	10	62 Å²	62	5%	0.051	31%	0.309	C	S	.	.			trans	-72.6	132	178.9	-67.4	163.5	0	0	0	110	P27 V37 Y47 P48 L49 L53 T55 L58 L76	P27-I51 HydrophobicContact CG-CG1 3.94Å; V37-I51 HydrophobicContact CG2-CG2 4.33Å; Y47-I51 HydrophobicContact CE1-CD1 3.84Å; Y47-I51 HydrophobicContact CE2-CD1 3.85Å; Y47-I51 VanDerWaalsContact OH-CD1 3.26Å; Y47-I51 WeakPolarHBondContact OH-CD1 3.22Å; P48-I51 HydrophobicContact CB-CG1 4.47Å; P48-I51 HydrophobicContact CG-CD1 3.79Å; P48-I51 HydrophobicContact CG-CG1 4.01Å; P48-I51 WeakPolarHBondContact O-CD1 3.17Å; P48-I51 WeakPolarHBondContact O-CG1 3.35Å; L49-I51 VanDerWaalsContact C-N 3.27Å; L49-I51 PolarHBondContact O-N 2.78Å; I51-L53 PolarHBondContact O-N 2.78Å; I51-T55 HydrophobicContact CG2-CG2 4.34Å; I51-T55 WeakPolarHBondContact CG2-OG1 3.26Å; I51-L58 HydrophobicContact CD1-CD1 3.86Å; I51-L58 HydrophobicContact CD1-CD2 3.72Å; I51-L58 HydrophobicContact CD1-CG 4.47Å; I51-L58 HydrophobicContact CG1-CD1 4.43Å; I51-L76 HydrophobicContact CB-CD1 4.49Å; I51-L76 HydrophobicContact CB-CD2 4.43Å; I51-L76 HydrophobicContact CG2-CD1 3.82Å; I51-L76 HydrophobicContact CG2-CD2 3.84Å
52	P	94.1	Very high	95.6	Very high	11 Å²	11	63.4 Å²	63.4	7%	0.071	31%	0.306	C	S	.	.			trans	-57.8	134.7	176.3	-28.4	35	0	0	0	115.4	S24 V37 D50 N54 T55 L76	S24-P52 WeakPolarHBondContact OG-CA 3.23Å; S24-P52 WeakPolarHBondContact OG-CB 3.35Å; V37-P52 HydrophobicContact CG2-CG 4.46Å; D50-P52 WeakPolarHBondContact O-CD 3.34Å; P52-N54 VanDerWaalsContact CB-OD1 3.28Å; P52-N54 WeakPolarHBondContact CB-OD1 3.2Å; P52-N54 PolarHBondContact O-N 2.93Å; P52-T55 WeakPolarHBondContact O-CB 3.05Å; P52-T55 PolarHBondContact O-N 2.93Å; P52-T55 PolarHBondContact O-OG1 2.92Å; P52-L76 WeakPolarHBondContact O-CD2 3.44Å
53	L	94.4	Very high	95.7	Very high	101 Å²	101	59.2 Å²	59.2	53%	0.529	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.6	-176.2	-61.2	-178.9	0	0	0	113.9	I51 T55 L75	I51-L53 PolarHBondContact O-N 2.78Å; L53-T55 VanDerWaalsContact C-N 3.26Å; L53-T55 PolarHBondContact O-N 3.41Å; L53-L75 HydrophobicContact CD2-CB 3.76Å
54	N	94.3	Very high	95.8	Very high	79 Å²	79	57.6 Å²	57.6	42%	0.422	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	9.8	176.9	68.6	-25.9	0	0	0	113.3	Q35 P52 R56	Q35-N54 WeakPolarHBondContact CG-O 3.47Å; P52-N54 VanDerWaalsContact CB-OD1 3.28Å; P52-N54 WeakPolarHBondContact CB-OD1 3.2Å; P52-N54 PolarHBondContact O-N 2.93Å; N54-R56 PolarHBondContact O-N 3.12Å
55	T	96.6	Very high	95.9	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	27%	0.268	C	S	.	.			trans	-66.5	125.2	179.3	-60	0	0	0	0	110.6	V37 I51 P52 L53 R57 L58 L79	V37-T55 HydrophobicContact CB-CG2 4.08Å; V37-T55 HydrophobicContact CG2-CG2 3.68Å; V37-T55 VanDerWaalsContact CG2-OG1 3.26Å; V37-T55 WeakPolarHBondContact CG2-OG1 3.39Å; I51-T55 HydrophobicContact CG2-CG2 4.34Å; I51-T55 WeakPolarHBondContact CG2-OG1 3.26Å; P52-T55 WeakPolarHBondContact O-CB 3.05Å; P52-T55 PolarHBondContact O-N 2.93Å; P52-T55 PolarHBondContact O-OG1 2.92Å; L53-T55 VanDerWaalsContact C-N 3.26Å; L53-T55 PolarHBondContact O-N 3.41Å; T55-R57 WeakPolarHBondContact CG2-O 3.4Å; T55-L58 HydrophobicContact CG2-CB 4.17Å; T55-L79 HydrophobicContact CG2-CD1 4.12Å
56	R	97.9	Very high	96	Very high	106 Å²	106	55 Å²	55	40%	0.4	26%	0.261	S	S	.	.	S	Bend	trans	-102.3	-27.4	173.6	-68	-158.7	171.6	-145	-6.1	113.2	Q35 N54 D78 V80 Y81	Q35-R56 HydrophobicContact CB-CB 4.07Å; Q35-R56 HydrophobicContact CB-CG 4.02Å; Q35-R56 HydrophobicContact CG-CG 4.46Å; Q35-R56 PolarHBondContact O-N 3.11Å; N54-R56 PolarHBondContact O-N 3.12Å; R56-D78 HydrophobicContact CG-CB 4.41Å; R56-D78 WeakPolarHBondContact CG-O 3.11Å; R56-V80 PolarHBondContact O-N 3.04Å; R56-Y81 PolarHBondContact O-N 3.11Å
57	R	98.4	Very high	96	Very high	119 Å²	119	51.2 Å²	51.2	45%	0.449	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.6	-179.6	-58.5	176.2	149.7	-177.1	-4.6	109.5	Q35 E36 V37 T55 F59 Y81	Q35-R57 PolarHBondContact O-N 3.43Å; Q35-R57 VanDerWaalsContact O-N 3.13Å; E36-R57 WeakPolarHBondContact CA-O 3.37Å; E36-R57 HydrophobicContact CB-CB 4.37Å; E36-R57 HydrophobicContact CG-CB 4.03Å; E36-R57 HydrophobicContact CG-CG 4.36Å; E36-R57 WeakPolarHBondContact OE1-CD 3.05Å; E36-R57 IonicContact OE1-CZ 3.64Å; E36-R57 IonicContact OE1-NE 3.72Å; E36-R57 IonicContact OE1-NH1 2.76Å; E36-R57 PolarHBondContact OE1-NH1 2.97Å; V37-R57 PolarHBondContact N-O 3.29Å; T55-R57 WeakPolarHBondContact CG2-O 3.4Å; R57-F59 HydrophobicContact CB-CE2 3.96Å; R57-F59 HydrophobicContact CB-CZ 4.49Å; R57-Y81 WeakPolarHBondContact CA-O 3.47Å
58	L	98.2	Very high	96.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.5	-177.5	178.6	57.9	0	0	0	109.4	V37 Y47 I51 T55 L60 L76 L79 Y81 L82 D83	V37-L58 HydrophobicContact CB-CD1 3.9Å; V37-L58 HydrophobicContact CG1-CD1 3.9Å; Y47-L58 HydrophobicContact CE2-CD2 4.22Å; I51-L58 HydrophobicContact CD1-CD1 3.86Å; I51-L58 HydrophobicContact CD1-CD2 3.72Å; I51-L58 HydrophobicContact CD1-CG 4.47Å; I51-L58 HydrophobicContact CG1-CD1 4.43Å; T55-L58 HydrophobicContact CG2-CB 4.17Å; L58-L60 HydrophobicContact CD1-CD2 4.25Å; L58-L60 HydrophobicContact CD1-CG 4.06Å; L58-L60 HydrophobicContact CD2-CD1 3.9Å; L58-L60 HydrophobicContact CD2-CG 4.31Å; L58-L60 HydrophobicContact CG-CD1 4.06Å; L58-L60 HydrophobicContact CG-CG 3.93Å; L58-L76 HydrophobicContact CD2-CD1 3.87Å; L58-L79 HydrophobicContact CB-CD1 3.68Å; L58-Y81 PolarHBondContact N-O 3.42Å; L58-L82 HydrophobicContact CB-CD1 4.06Å; L58-L82 HydrophobicContact CD2-CD1 3.86Å; L58-L82 HydrophobicContact CG-CD1 3.97Å; L58-D83 PolarHBondContact O-N 2.83Å
59	F	98.3	Very high	96.2	Very high	41 Å²	41	52.1 Å²	52.1	18%	0.18	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	105.6	177.8	-57.7	-92.6	0	0	0	109.2	V37 I38 C39 R57 Y81 D83	V37-F59 PolarHBondContact O-N 2.84Å; I38-F59 HydrophobicContact CG1-CD2 3.84Å; I38-F59 HydrophobicContact CG1-CE2 4.38Å; C39-F59 CarbonylContact C-O 3.43Å; C39-F59 WeakPolarHBondContact CA-O 3.31Å; C39-F59 WeakPolarHBondContact CB-O 3.26Å; C39-F59 PolarHBondContact N-O 2.9Å; R57-F59 HydrophobicContact CB-CE2 3.96Å; R57-F59 HydrophobicContact CB-CZ 4.49Å; F59-Y81 HydrophobicContact CD1-CD1 4.49Å; F59-Y81 AromaticContact CD1-CE1 3.84Å; F59-Y81 HydrophobicContact CD1-CE1 3.84Å; F59-Y81 AromaticContact CE1-CD1 3.97Å; F59-Y81 HydrophobicContact CE1-CD1 3.97Å; F59-Y81 AromaticContact CE1-CE1 3.3Å; F59-Y81 HydrophobicContact CE1-CE1 3.3Å; F59-Y81 HydrophobicContact CZ-CD1 4.09Å; F59-Y81 AromaticContact CZ-CE1 3.84Å; F59-Y81 HydrophobicContact CZ-CE1 3.84Å; F59-D83 HydrophobicContact CD1-CB 4.13Å
60	L	97.8	Very high	96.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.			trans	-111	12.5	176.8	-68.9	171.3	0	0	0	111.8	C39 L44 Y47 P48 L58 N63 I65 L82 D83 N87	C39-L60 HydrophobicContact CB-CD2 3.93Å; L44-L60 HydrophobicContact CD1-CD2 4.42Å; Y47-L60 HydrophobicContact CD2-CD1 3.75Å; Y47-L60 HydrophobicContact CE2-CD1 3.8Å; P48-L60 HydrophobicContact CG-CD2 3.94Å; L58-L60 HydrophobicContact CD1-CD2 4.25Å; L58-L60 HydrophobicContact CD1-CG 4.06Å; L58-L60 HydrophobicContact CD2-CD1 3.9Å; L58-L60 HydrophobicContact CD2-CG 4.31Å; L58-L60 HydrophobicContact CG-CD1 4.06Å; L58-L60 HydrophobicContact CG-CG 3.93Å; L60-N63 PolarHBondContact O-ND2 3.19Å; L60-I65 HydrophobicContact CB-CD1 3.99Å; L60-I65 HydrophobicContact CD1-CD1 4.31Å; L60-I65 HydrophobicContact CD2-CD1 4.05Å; L60-I65 HydrophobicContact CG-CD1 4.35Å; L60-L82 HydrophobicContact CD1-CD1 4.38Å; L60-D83 CarbonylContact C-O 3.07Å; L60-D83 WeakPolarHBondContact CA-O 3.5Å; L60-D83 PolarHBondContact N-O 3.37Å; L60-N87 PolarHBondContact O-ND2 2.97Å
61	N	98.3	Very high	96.6	Very high	17 Å²	17	50.5 Å²	50.5	9%	0.091	25%	0.249	C	C	.	.			trans	-64.6	154.7	-175.6	59.3	-40.7	0	0	0	114.4	T40 A41 N63 D83 Q85	T40-N61 WeakPolarHBondContact CA-O 3.33Å; T40-N61 WeakPolarHBondContact CB-OD1 3.37Å; T40-N61 WeakPolarHBondContact CG2-ND2 3.38Å; T40-N61 WeakPolarHBondContact CG2-OD1 3.35Å; T40-N61 PolarHBondContact OG1-OD1 2.98Å; A41-N61 PolarHBondContact N-O 3.42Å; A41-N61 VanDerWaalsContact N-O 3.09Å; N61-N63 VanDerWaalsContact C-N 3.34Å; N61-N63 PolarHBondContact O-N 3.34Å; N61-N63 PolarHBondContact O-ND2 3.45Å; N61-D83 WeakPolarHBondContact CB-OD2 3.38Å; N61-D83 PolarHBondContact N-O 3.13Å; N61-Q85 VanDerWaalsContact CA-O 3.23Å; N61-Q85 WeakPolarHBondContact CA-O 3.26Å; N61-Q85 HydrophobicContact CB-CG 3.54Å
62	E	98.1	Very high	96.6	Very high	87 Å²	87	53.5 Å²	53.5	41%	0.407	26%	0.263	S	S	.	.	S	Bend	trans	60.4	38.6	177.6	-58.7	-169.6	169.4	0	0	113.8	T40 A41 Q85 K86	T40-E62 HydrophobicContact CG2-CB 4.44Å; A41-E62 VanDerWaalsContact CA-O 3.31Å; A41-E62 WeakPolarHBondContact CA-O 3.4Å; A41-E62 HydrophobicContact CB-CB 4.12Å; E62-Q85 PolarHBondContact N-O 3.19Å; E62-K86 WeakPolarHBondContact CA-O 3.48Å; E62-K86 HydrophobicContact CG-CB 4.13Å; E62-K86 HydrophobicContact CG-CD 3.64Å; E62-K86 IonicContact OE1-NZ 2.77Å; E62-K86 PolarHBondContact OE1-NZ 2.86Å
63	N	97.9	Very high	96.7	Very high	8 Å²	8	53 Å²	53	4%	0.043	26%	0.26	C	S	.	.	S	Bend	trans	-115.2	-165.4	175.4	-73.5	-64.2	0	0	0	111	C39 K42 Q43 L44 L60 N61 I65 K86 N87	C39-N63 PolarHBondContact O-ND2 2.9Å; K42-N63 WeakPolarHBondContact CA-OD1 3.02Å; K42-N63 PolarHBondContact N-OD1 2.89Å; Q43-N63 PolarHBondContact N-OD1 3.39Å; L44-N63 HydrophobicContact CB-CB 4.08Å; L44-N63 PolarHBondContact N-OD1 2.66Å; L60-N63 PolarHBondContact O-ND2 3.19Å; N61-N63 VanDerWaalsContact C-N 3.34Å; N61-N63 PolarHBondContact O-N 3.34Å; N61-N63 PolarHBondContact O-ND2 3.45Å; N63-I65 HydrophobicContact CB-CD1 4.24Å; N63-I65 HydrophobicContact CB-CG1 4.07Å; N63-K86 PolarHBondContact N-O 3.2Å; N63-K86 VanDerWaalsContact O-O 3.14Å; N63-N87 WeakPolarHBondContact CA-OD1 3.35Å; N63-N87 WeakPolarHBondContact CB-OD1 3.44Å; N63-N87 PolarHBondContact O-OD1 3.42Å
64	R	97.8	Very high	96.8	Very high	116 Å²	116	49.1 Å²	49.1	44%	0.438	24%	0.244	S	C	.	.			trans	-122.1	29.7	179	-58.7	179	-174	-88.2	0.4	110.8	L44 T66 N87 W88	L44-R64 CarbonylContact O-C 3.51Å; L44-R64 VanDerWaalsContact O-CA 3.29Å; L44-R64 WeakPolarHBondContact O-CA 3.41Å; L44-R64 PolarHBondContact O-N 2.76Å; R64-T66 PolarHBondContact O-N 3.49Å; R64-N87 PolarHBondContact N-OD1 3.48Å; R64-W88 HydrophobicContact CB-CD2 4.29Å; R64-W88 HydrophobicContact CB-CE3 4.14Å; R64-W88 HydrophobicContact CB-CZ3 4.41Å; R64-W88 HydrophobicContact CG-CH2 4.49Å; R64-W88 HydrophobicContact CG-CZ2 4.41Å
65	I	97.6	Very high	96.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.25	C	S	.	.			trans	-68.6	129.5	-177.5	-60.2	170.1	0	0	0	108.6	L44 L60 N63 S67 N87 W88 I89	L44-I65 HydrophobicContact CB-CD1 4.47Å; L44-I65 HydrophobicContact CB-CG1 4.22Å; L44-I65 PolarHBondContact O-N 3.33Å; L60-I65 HydrophobicContact CB-CD1 3.99Å; L60-I65 HydrophobicContact CD1-CD1 4.31Å; L60-I65 HydrophobicContact CD2-CD1 4.05Å; L60-I65 HydrophobicContact CG-CD1 4.35Å; N63-I65 HydrophobicContact CB-CD1 4.24Å; N63-I65 HydrophobicContact CB-CG1 4.07Å; I65-S67 VanDerWaalsContact CG2-O 3.24Å; I65-S67 WeakPolarHBondContact CG2-O 3.24Å; I65-N87 HydrophobicContact CB-CB 4.44Å; I65-N87 WeakPolarHBondContact CB-OD1 3.48Å; I65-N87 WeakPolarHBondContact CG1-OD1 3.49Å; I65-N87 PolarHBondContact N-OD1 3.03Å; I65-W88 CarbonylContact O-C 3.55Å; I65-W88 WeakPolarHBondContact O-CA 3.2Å; I65-W88 PolarHBondContact O-N 3Å; I65-I89 PolarHBondContact O-N 2.88Å
66	T	96.9	Very high	96.9	Very high	64 Å²	64	50.4 Å²	50.4	39%	0.393	25%	0.25	S	S	.	.			trans	-98.3	-18.6	-176.4	54.8	0	0	0	0	114.2	R64 W88 I89	R64-T66 PolarHBondContact O-N 3.49Å; T66-W88 HydrophobicContact CG2-CB 4.29Å; T66-I89 WeakPolarHBondContact O-CA 3.41Å
67	S	96.2	Very high	96.8	Very high	69 Å²	69	47.7 Å²	47.7	48%	0.483	25%	0.248	S	C	.	.			trans	-156.6	155.1	-178.4	58.8	0	0	0	0	111.9	I65	I65-S67 VanDerWaalsContact CG2-O 3.24Å; I65-S67 WeakPolarHBondContact CG2-O 3.24Å
68	L	96.6	Very high	96.7	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.073	24%	0.238	C	C	.	.			trans	-104.5	113.7	174.4	-63.7	177.5	0	0	0	109.4	Y47 A70 L73 I89 T96 F97 L108	Y47-L68 HydrophobicContact CD2-CD2 4.37Å; L68-A70 PolarHBondContact O-N 2.61Å; L68-L73 HydrophobicContact CB-CD2 4.4Å; L68-L73 HydrophobicContact CD1-CD2 4.49Å; L68-I89 HydrophobicContact CD1-CD1 4.17Å; L68-I89 HydrophobicContact CD2-CD1 4.16Å; L68-I89 HydrophobicContact CG-CD1 3.98Å; L68-T96 HydrophobicContact CB-CG2 3.82Å; L68-T96 HydrophobicContact CD1-CG2 4.4Å; L68-F97 HydrophobicContact CD1-CE1 4.14Å; L68-F97 HydrophobicContact CD1-CZ 4.23Å; L68-L108 HydrophobicContact CD1-CD2 4.12Å
69	P	95.6	Very high	96.7	Very high	37 Å²	37	44.2 Å²	44.2	24%	0.24	24%	0.238	C	C	.	.			trans	-74.7	108.9	-178.4	29.1	-33.5	0	0	0	110.7	Y47 M71 H72 L73	Y47-P69 VanDerWaalsContact CB-CD 3.41Å; Y47-P69 HydrophobicContact CD1-CG 3.43Å; Y47-P69 VanDerWaalsContact CD1-CG 3.43Å; Y47-P69 HydrophobicContact CD2-CG 4.33Å; Y47-P69 HydrophobicContact CE1-CG 4.1Å; Y47-P69 VanDerWaalsContact CG-CD 3.49Å; Y47-P69 HydrophobicContact CG-CG 3.56Å; P69-M71 VanDerWaalsContact C-N 3.28Å; P69-M71 PolarHBondContact O-N 3.41Å; P69-H72 HydrophobicContact CB-CB 4.45Å; P69-H72 HydrophobicContact CG-CB 4.12Å; P69-H72 PolarHBondContact O-N 2.9Å; P69-H72 VanDerWaalsContact O-N 3.17Å; P69-L73 WeakPolarHBondContact O-CB 3.41Å; P69-L73 PolarHBondContact O-N 3.46Å
70	A	94.9	Very high	96.7	Very high	21 Å²	21	44 Å²	44	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-52.8	-41.9	-176.5	0	0	0	0	0	114.1	L68 G74 Y95	L68-A70 PolarHBondContact O-N 2.61Å; A70-G74 WeakPolarHBondContact O-CA 3.26Å; A70-G74 PolarHBondContact O-N 2.79Å; A70-Y95 HydrophobicContact CB-CD2 3.45Å; A70-Y95 VanDerWaalsContact CB-CD2 3.45Å; A70-Y95 HydrophobicContact CB-CE2 3.85Å
71	M	94.2	Very high	96.7	Very high	158 Å²	158	46.5 Å²	46.5	78%	0.778	25%	0.25	S	C	*	.	H	α-helix	trans	-62.8	-46.8	-179.5	-68.4	-60.9	-65.7	0	0	112.1	P69 L75	P69-M71 VanDerWaalsContact C-N 3.28Å; P69-M71 PolarHBondContact O-N 3.41Å; M71-L75 WeakPolarHBondContact O-CG 2.97Å
72	H	94.5	Very high	96.8	Very high	74 Å²	74	45.7 Å²	45.7	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-78.7	-39	-176.7	-64	93.6	0	0	0	111.9	Y47 L49 P69 G74 L75	Y47-H72 HydrophobicContact CD1-CB 4.34Å; Y47-H72 HydrophobicContact CE1-CB 3.82Å; L49-H72 HydrophobicContact CD2-CB 4.5Å; P69-H72 HydrophobicContact CB-CB 4.45Å; P69-H72 HydrophobicContact CG-CB 4.12Å; P69-H72 PolarHBondContact O-N 2.9Å; P69-H72 VanDerWaalsContact O-N 3.17Å; H72-G74 VanDerWaalsContact C-N 3.29Å; H72-G74 PolarHBondContact O-N 2.91Å; H72-L75 WeakPolarHBondContact O-CB 3.32Å; H72-L75 PolarHBondContact O-N 3.13Å
73	L	96.7	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-40.3	174	-177.8	58.8	0	0	0	110.8	Y47 L68 P69 L75 L76 L79 L82 T96 F97 V100	Y47-L73 HydrophobicContact CE2-CD1 4.36Å; L68-L73 HydrophobicContact CB-CD2 4.4Å; L68-L73 HydrophobicContact CD1-CD2 4.49Å; P69-L73 WeakPolarHBondContact O-CB 3.41Å; P69-L73 PolarHBondContact O-N 3.46Å; L73-L75 PolarHBondContact O-N 2.79Å; L73-L76 HydrophobicContact CD1-CD1 4.33Å; L73-L76 WeakPolarHBondContact O-CB 3.46Å; L73-L76 PolarHBondContact O-N 3.22Å; L73-L79 HydrophobicContact CD1-CD2 3.93Å; L73-L82 HydrophobicContact CD1-CD2 4.13Å; L73-L82 HydrophobicContact CD2-CD2 4.15Å; L73-T96 HydrophobicContact CD2-CG2 4.4Å; L73-F97 HydrophobicContact CD2-CD1 3.8Å; L73-F97 HydrophobicContact CD2-CE1 3.86Å; L73-V100 HydrophobicContact CD1-CG1 4.23Å; L73-V100 HydrophobicContact CG-CG1 4.1Å; L73-V100 WeakPolarHBondContact O-CG1 3.44Å
74	G	96.1	Very high	96.8	Very high	20 Å²	20	41.4 Å²	41.4	21%	0.206	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.2	178.9	0	0	0	0	0	115.1	A70 H72 L76 G99	A70-G74 WeakPolarHBondContact O-CA 3.26Å; A70-G74 PolarHBondContact O-N 2.79Å; H72-G74 VanDerWaalsContact C-N 3.29Å; H72-G74 PolarHBondContact O-N 2.91Å; G74-L76 PolarHBondContact O-N 2.87Å; G74-G99 WeakPolarHBondContact O-CA 3.14Å
75	L	95.6	Very high	96.8	Very high	104 Å²	104	38.1 Å²	38.1	55%	0.545	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.2	172.2	-64.7	174	0	0	0	112.3	L53 M71 H72 L73 S77	L53-L75 HydrophobicContact CD2-CB 3.76Å; M71-L75 WeakPolarHBondContact O-CG 2.97Å; H72-L75 WeakPolarHBondContact O-CB 3.32Å; H72-L75 PolarHBondContact O-N 3.13Å; L73-L75 PolarHBondContact O-N 2.79Å; L75-S77 PolarHBondContact O-N 2.92Å
76	L	96.4	Very high	96.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	24%	0.235	C	C	.	.			trans	-83.3	57.8	-177.6	-52.3	-177	0	0	0	111.5	Y47 I51 P52 L58 L73 G74 D78 L79 V100	Y47-L76 WeakPolarHBondContact OH-CD1 3.48Å; I51-L76 HydrophobicContact CB-CD1 4.49Å; I51-L76 HydrophobicContact CB-CD2 4.43Å; I51-L76 HydrophobicContact CG2-CD1 3.82Å; I51-L76 HydrophobicContact CG2-CD2 3.84Å; P52-L76 WeakPolarHBondContact O-CD2 3.44Å; L58-L76 HydrophobicContact CD2-CD1 3.87Å; L73-L76 HydrophobicContact CD1-CD1 4.33Å; L73-L76 WeakPolarHBondContact O-CB 3.46Å; L73-L76 PolarHBondContact O-N 3.22Å; G74-L76 PolarHBondContact O-N 2.87Å; L76-D78 PolarHBondContact O-N 2.89Å; L76-L79 HydrophobicContact CB-CB 4Å; L76-L79 HydrophobicContact CB-CD2 4.47Å; L76-L79 HydrophobicContact CD1-CD2 4.4Å; L76-L79 WeakPolarHBondContact O-CB 3.24Å; L76-L79 PolarHBondContact O-N 2.98Å; L76-V100 HydrophobicContact CB-CG1 4.43Å
77	S	95.9	Very high	96.9	Very high	50 Å²	50	39.8 Å²	39.8	35%	0.35	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.3	-174.1	63.6	0	0	0	0	115.6	L75 G99 K102	L75-S77 PolarHBondContact O-N 2.92Å; S77-G99 WeakPolarHBondContact CA-O 3.48Å; S77-K102 WeakPolarHBondContact O-CD 3.19Å
78	D	96.7	Very high	97	Very high	45 Å²	45	42.9 Å²	42.9	24%	0.241	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	3.3	174.7	-79.2	-33.8	0	0	0	113.7	R56 L76 V80 K102	R56-D78 HydrophobicContact CG-CB 4.41Å; R56-D78 WeakPolarHBondContact CG-O 3.11Å; L76-D78 PolarHBondContact O-N 2.89Å; D78-V80 WeakPolarHBondContact O-CG2 3.48Å; D78-V80 PolarHBondContact O-N 3.19Å; D78-K102 IonicContact OD1-NZ 2.66Å; D78-K102 PolarHBondContact OD1-NZ 3.11Å
79	L	98.3	Very high	97.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.			trans	-66.4	126.1	-178.1	-165.5	70.6	0	0	0	111.2	T55 L58 L73 L76 L82 V100 K102 L103	T55-L79 HydrophobicContact CG2-CD1 4.12Å; L58-L79 HydrophobicContact CB-CD1 3.68Å; L73-L79 HydrophobicContact CD1-CD2 3.93Å; L76-L79 HydrophobicContact CB-CB 4Å; L76-L79 HydrophobicContact CB-CD2 4.47Å; L76-L79 HydrophobicContact CD1-CD2 4.4Å; L76-L79 WeakPolarHBondContact O-CB 3.24Å; L76-L79 PolarHBondContact O-N 2.98Å; L79-L82 HydrophobicContact CD2-CB 4.13Å; L79-L82 HydrophobicContact CD2-CD1 4.39Å; L79-L82 HydrophobicContact CD2-CD2 4.38Å; L79-V100 HydrophobicContact CB-CG1 4.16Å; L79-V100 HydrophobicContact CD2-CG1 4.05Å; L79-K102 CarbonylContact O-C 3.59Å; L79-K102 VanDerWaalsContact O-C 3.28Å; L79-L103 HydrophobicContact CB-CD1 4.42Å; L79-L103 HydrophobicContact CD2-CD1 3.93Å; L79-L103 HydrophobicContact CG-CD1 3.88Å; L79-L103 PolarHBondContact O-N 3.24Å
80	V	98.5	Very high	97.1	Very high	36 Å²	36	47.7 Å²	47.7	22%	0.218	23%	0.23	C	C	.	.			trans	-113.4	-32	-178.6	177.1	0	0	0	0	111.2	R56 D78 I104 Y105	R56-V80 PolarHBondContact O-N 3.04Å; D78-V80 WeakPolarHBondContact O-CG2 3.48Å; D78-V80 PolarHBondContact O-N 3.19Å; V80-I104 HydrophobicContact CG1-CB 3.86Å; V80-I104 HydrophobicContact CG1-CD1 3.64Å; V80-I104 HydrophobicContact CG1-CG1 3.8Å; V80-I104 PolarHBondContact O-N 3.44Å; V80-Y105 PolarHBondContact O-N 3.47Å; V80-Y105 VanDerWaalsContact O-N 3.13Å
81	Y	98.7	Very high	97.2	Very high	53 Å²	53	51.8 Å²	51.8	21%	0.208	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.8	-174.9	-173.3	-80.9	0	0	0	109.8	R56 R57 L58 F59 D83 Y105	R56-Y81 PolarHBondContact O-N 3.11Å; R57-Y81 WeakPolarHBondContact CA-O 3.47Å; L58-Y81 PolarHBondContact N-O 3.42Å; F59-Y81 HydrophobicContact CD1-CD1 4.49Å; F59-Y81 AromaticContact CD1-CE1 3.84Å; F59-Y81 HydrophobicContact CD1-CE1 3.84Å; F59-Y81 AromaticContact CE1-CD1 3.97Å; F59-Y81 HydrophobicContact CE1-CD1 3.97Å; F59-Y81 AromaticContact CE1-CE1 3.3Å; F59-Y81 HydrophobicContact CE1-CE1 3.3Å; F59-Y81 HydrophobicContact CZ-CD1 4.09Å; F59-Y81 AromaticContact CZ-CE1 3.84Å; F59-Y81 HydrophobicContact CZ-CE1 3.84Å; Y81-D83 HydrophobicContact CE1-CB 3.7Å; Y81-Y105 HydrophobicContact CD1-CD1 4.24Å; Y81-Y105 AromaticContact CD2-CD1 3.42Å; Y81-Y105 HydrophobicContact CD2-CD1 3.42Å; Y81-Y105 VanDerWaalsContact CD2-CD1 3.42Å; Y81-Y105 HydrophobicContact CD2-CD2 4.34Å; Y81-Y105 HydrophobicContact CD2-CE1 4.17Å; Y81-Y105 AromaticContact CD2-CG 3.51Å; Y81-Y105 HydrophobicContact CD2-CG 3.51Å; Y81-Y105 AromaticContact CE1-CD1 4Å; Y81-Y105 HydrophobicContact CE1-CD1 4Å; Y81-Y105 HydrophobicContact CE1-CE1 4Å; Y81-Y105 AromaticContact CE2-CD1 3.1Å; Y81-Y105 HydrophobicContact CE2-CD1 3.1Å; Y81-Y105 AromaticContact CE2-CD2 3.85Å; Y81-Y105 HydrophobicContact CE2-CD2 3.85Å; Y81-Y105 AromaticContact CE2-CE1 3.4Å; Y81-Y105 HydrophobicContact CE2-CE1 3.4Å; Y81-Y105 HydrophobicContact CE2-CE2 4.1Å; Y81-Y105 AromaticContact CE2-CG 3.35Å; Y81-Y105 HydrophobicContact CE2-CG 3.35Å; Y81-Y105 AromaticContact CE2-CZ 3.9Å; Y81-Y105 AromaticContact CG-CD1 3.97Å; Y81-Y105 HydrophobicContact CG-CD1 3.97Å; Y81-Y105 HydrophobicContact CG-CG 4.39Å; Y81-Y105 AromaticContact CZ-CD1 3.41Å; Y81-Y105 VanDerWaalsContact CZ-CD1 3.41Å; Y81-Y105 AromaticContact CZ-CE1 3.27Å; Y81-Y105 AromaticContact CZ-CZ 3.92Å; Y81-Y105 VanDerWaalsContact OH-CE1 3.24Å; Y81-Y105 WeakPolarHBondContact OH-CE1 3.38Å
82	L	98.7	Very high	97.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.5	175.7	-179.9	58	0	0	0	109.9	L58 L60 L73 L79 F97 L103 Y105 L106 D107	L58-L82 HydrophobicContact CB-CD1 4.06Å; L58-L82 HydrophobicContact CD2-CD1 3.86Å; L58-L82 HydrophobicContact CG-CD1 3.97Å; L60-L82 HydrophobicContact CD1-CD1 4.38Å; L73-L82 HydrophobicContact CD1-CD2 4.13Å; L73-L82 HydrophobicContact CD2-CD2 4.15Å; L79-L82 HydrophobicContact CD2-CB 4.13Å; L79-L82 HydrophobicContact CD2-CD1 4.39Å; L79-L82 HydrophobicContact CD2-CD2 4.38Å; L82-F97 HydrophobicContact CD2-CE1 4.16Å; L82-L103 HydrophobicContact CB-CD1 3.87Å; L82-L103 HydrophobicContact CB-CD2 4.42Å; L82-Y105 PolarHBondContact N-O 3.23Å; L82-L106 HydrophobicContact CB-CD1 4.13Å; L82-L106 HydrophobicContact CD2-CD1 3.9Å; L82-L106 HydrophobicContact CG-CD1 4.05Å; L82-L106 WeakPolarHBondContact O-CA 3.36Å; L82-D107 PolarHBondContact O-N 3.32Å
83	D	98.7	Very high	97.4	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110.7	172.5	-179.1	5	0	0	0	110	L58 F59 L60 N61 Y81 Q85	L58-D83 PolarHBondContact O-N 2.83Å; F59-D83 HydrophobicContact CD1-CB 4.13Å; L60-D83 CarbonylContact C-O 3.07Å; L60-D83 WeakPolarHBondContact CA-O 3.5Å; L60-D83 PolarHBondContact N-O 3.37Å; N61-D83 WeakPolarHBondContact CB-OD2 3.38Å; N61-D83 PolarHBondContact N-O 3.13Å; Y81-D83 HydrophobicContact CE1-CB 3.7Å; D83-Q85 WeakPolarHBondContact OD1-CB 3.36Å; D83-Q85 WeakPolarHBondContact OD1-CG 3.09Å; D83-Q85 PolarHBondContact OD1-N 2.84Å; D83-Q85 PolarHBondContact OD2-NE2 2.99Å
84	C	98.1	Very high	97.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.228	C	C	.	.			trans	-117.4	19.4	176.5	-70.8	0	0	0	0	111.4	N87 I89 D107 L108 N111	C84-N87 PolarHBondContact O-ND2 3.03Å; C84-I89 HydrophobicContact CB-CD1 3.96Å; C84-D107 CarbonylContact C-O 3.22Å; C84-D107 WeakPolarHBondContact CA-O 3.36Å; C84-D107 WeakPolarHBondContact CB-O 3.37Å; C84-D107 PolarHBondContact N-O 3.25Å; C84-L108 HydrophobicContact CB-CD2 4Å; C84-N111 PolarHBondContact O-ND2 2.8Å
85	Q	98.3	Very high	97.2	Very high	47 Å²	47	52.3 Å²	52.3	22%	0.22	24%	0.241	C	C	.	.			trans	-61	154.8	-178	76.9	-176	-56.2	0	0	111.9	N61 E62 D83 N87 D107 S109	N61-Q85 VanDerWaalsContact CA-O 3.23Å; N61-Q85 WeakPolarHBondContact CA-O 3.26Å; N61-Q85 HydrophobicContact CB-CG 3.54Å; E62-Q85 PolarHBondContact N-O 3.19Å; D83-Q85 WeakPolarHBondContact OD1-CB 3.36Å; D83-Q85 WeakPolarHBondContact OD1-CG 3.09Å; D83-Q85 PolarHBondContact OD1-N 2.84Å; D83-Q85 PolarHBondContact OD2-NE2 2.99Å; Q85-N87 VanDerWaalsContact C-N 3.34Å; Q85-N87 PolarHBondContact O-N 3.25Å; Q85-N87 PolarHBondContact O-ND2 3.38Å; Q85-D107 PolarHBondContact N-O 3.11Å; Q85-S109 CarbonylContact C-O 3.46Å; Q85-S109 WeakPolarHBondContact CA-O 3.41Å
86	K	98.4	Very high	97.3	Very high	98 Å²	98	47.7 Å²	47.7	43%	0.426	22%	0.217	S	C	.	.	S	Bend	trans	54.4	49.4	176.3	-60.4	174.1	-179.2	178.5	0	112.3	E62 N63 S109 S110	E62-K86 WeakPolarHBondContact CA-O 3.48Å; E62-K86 HydrophobicContact CG-CB 4.13Å; E62-K86 HydrophobicContact CG-CD 3.64Å; E62-K86 IonicContact OE1-NZ 2.77Å; E62-K86 PolarHBondContact OE1-NZ 2.86Å; N63-K86 PolarHBondContact N-O 3.2Å; N63-K86 VanDerWaalsContact O-O 3.14Å; K86-S109 PolarHBondContact N-O 2.82Å; K86-S110 VanDerWaalsContact CA-O 3.22Å; K86-S110 WeakPolarHBondContact CA-O 3.16Å; K86-S110 PolarHBondContact N-O 3.46Å
87	N	98.5	Very high	97.3	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	22%	0.216	C	C	.	.	S	Bend	trans	-118.3	-170.7	170.3	-85.9	-76.2	0	0	0	109.7	L60 N63 R64 I65 C84 Q85 I89 N111	L60-N87 PolarHBondContact O-ND2 2.97Å; N63-N87 WeakPolarHBondContact CA-OD1 3.35Å; N63-N87 WeakPolarHBondContact CB-OD1 3.44Å; N63-N87 PolarHBondContact O-OD1 3.42Å; R64-N87 PolarHBondContact N-OD1 3.48Å; I65-N87 HydrophobicContact CB-CB 4.44Å; I65-N87 WeakPolarHBondContact CB-OD1 3.48Å; I65-N87 WeakPolarHBondContact CG1-OD1 3.49Å; I65-N87 PolarHBondContact N-OD1 3.03Å; C84-N87 PolarHBondContact O-ND2 3.03Å; Q85-N87 VanDerWaalsContact C-N 3.34Å; Q85-N87 PolarHBondContact O-N 3.25Å; Q85-N87 PolarHBondContact O-ND2 3.38Å; N87-I89 HydrophobicContact CB-CD1 4.35Å; N87-I89 HydrophobicContact CB-CG1 4.16Å; N87-N111 VanDerWaalsContact CA-OD1 3.26Å; N87-N111 WeakPolarHBondContact CA-OD1 3.5Å; N87-N111 WeakPolarHBondContact CB-OD1 3.45Å; N87-N111 PolarHBondContact N-OD1 2.92Å; N87-N111 WeakPolarHBondContact O-CA 3.39Å; N87-N111 PolarHBondContact O-OD1 3.06Å; N87-N111 VanDerWaalsContact O-OD1 3.12Å
88	W	97.8	Very high	97.3	Very high	133 Å²	133	50.2 Å²	50.2	50%	0.504	23%	0.225	S	C	.	.			trans	-114.8	31.2	179.6	-65	-11.4	0	0	0	112	R64 I65 T66 R90 N111	R64-W88 HydrophobicContact CB-CD2 4.29Å; R64-W88 HydrophobicContact CB-CE3 4.14Å; R64-W88 HydrophobicContact CB-CZ3 4.41Å; R64-W88 HydrophobicContact CG-CH2 4.49Å; R64-W88 HydrophobicContact CG-CZ2 4.41Å; I65-W88 CarbonylContact O-C 3.55Å; I65-W88 WeakPolarHBondContact O-CA 3.2Å; I65-W88 PolarHBondContact O-N 3Å; T66-W88 HydrophobicContact CG2-CB 4.29Å; W88-R90 PolarHBondContact O-N 3.05Å; W88-N111 PolarHBondContact N-OD1 2.61Å
89	I	98.1	Very high	97.2	Very high	1 Å²	1	49 Å²	49	1%	0.005	22%	0.223	C	C	.	.			trans	-64.8	128.3	-179.8	-56.9	167.6	0	0	0	108.3	I65 T66 L68 C84 N87 V92 L108 N111 N112 L113	I65-I89 PolarHBondContact O-N 2.88Å; T66-I89 WeakPolarHBondContact O-CA 3.41Å; L68-I89 HydrophobicContact CD1-CD1 4.17Å; L68-I89 HydrophobicContact CD2-CD1 4.16Å; L68-I89 HydrophobicContact CG-CD1 3.98Å; C84-I89 HydrophobicContact CB-CD1 3.96Å; N87-I89 HydrophobicContact CB-CD1 4.35Å; N87-I89 HydrophobicContact CB-CG1 4.16Å; I89-V92 HydrophobicContact CG2-CG2 4.32Å; I89-L108 HydrophobicContact CD1-CD2 4.09Å; I89-N111 HydrophobicContact CB-CB 4.36Å; I89-N111 WeakPolarHBondContact CB-OD1 3.05Å; I89-N111 WeakPolarHBondContact CG1-OD1 3.29Å; I89-N111 PolarHBondContact N-OD1 3.22Å; I89-N112 CarbonylContact O-C 3.36Å; I89-N112 WeakPolarHBondContact O-CA 3.39Å; I89-N112 PolarHBondContact O-N 3.47Å; I89-L113 HydrophobicContact CB-CD2 4.24Å; I89-L113 HydrophobicContact CG2-CD2 3.74Å; I89-L113 PolarHBondContact O-N 3.34Å
90	R	96.8	Very high	97.1	Very high	151 Å²	151	49 Å²	49	57%	0.57	22%	0.223	S	C	*	.			trans	-101.5	-38.6	-177.2	-64.4	-174.4	-178.6	163.7	0.3	113.9	W88 N112 L113 T114	W88-R90 PolarHBondContact O-N 3.05Å; R90-N112 WeakPolarHBondContact CA-O 3.45Å; R90-L113 CarbonylContact O-C 3.29Å; R90-L113 VanDerWaalsContact O-CA 3.29Å; R90-L113 WeakPolarHBondContact O-CA 3.44Å; R90-T114 PolarHBondContact O-N 3.38Å; R90-T114 PolarHBondContact O-OG1 3.07Å
91	E	96.3	Very high	96.9	Very high	108 Å²	108	51.7 Å²	51.7	51%	0.505	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.4	-173.2	-55	-170.9	148.3	0	0	109.4	S115	E91-S115 WeakPolarHBondContact CG-OG 3.35Å; E91-S115 PolarHBondContact OE1-OG 2.96Å
92	V	97.3	Very high	96.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.7	171.5	-170.3	0	0	0	0	108.3	I89 T96 F97 L108 L113 S115 S117 T120	I89-V92 HydrophobicContact CG2-CG2 4.32Å; V92-T96 HydrophobicContact CG1-CG2 4.07Å; V92-F97 HydrophobicContact CG1-CD2 4.34Å; V92-F97 HydrophobicContact CG1-CE2 3.52Å; V92-F97 HydrophobicContact CG1-CZ 3.99Å; V92-L108 HydrophobicContact CG2-CD1 4.29Å; V92-L113 HydrophobicContact CG2-CD2 3.75Å; V92-S115 PolarHBondContact N-O 2.99Å; V92-S117 PolarHBondContact O-N 3.12Å; V92-S117 PolarHBondContact O-OG 2.96Å; V92-T120 HydrophobicContact CB-CG2 4.22Å; V92-T120 HydrophobicContact CG1-CG2 3.47Å; V92-T120 VanDerWaalsContact CG1-CG2 3.47Å
93	M	96.1	Very high	96.9	Very high	62 Å²	62	52.8 Å²	52.8	31%	0.305	24%	0.238	S	C	.	.			trans	-90.7	164	-175	-58.5	-59.7	-74.4	0	0	110.7	Y95 T96 T120	M93-Y95 HydrophobicContact CB-CD1 4.01Å; M93-Y95 HydrophobicContact CB-CD2 4.39Å; M93-Y95 HydrophobicContact CB-CE1 3.6Å; M93-Y95 HydrophobicContact CB-CE2 4.04Å; M93-Y95 HydrophobicContact CB-CG 4.37Å; M93-Y95 HydrophobicContact CE-CE1 4.19Å; M93-Y95 HydrophobicContact CG-CE1 4.09Å; M93-Y95 HydrophobicContact CG-CE2 4.47Å; M93-Y95 PolarHBondContact O-N 3.48Å; M93-T96 PolarHBondContact N-OG1 2.85Å; M93-T96 VanDerWaalsContact N-OG1 3.1Å; M93-T96 PolarHBondContact O-N 3.19Å; M93-T96 PolarHBondContact O-OG1 2.93Å; M93-T120 VanDerWaalsContact C-OG1 3.29Å; M93-T120 WeakPolarHBondContact O-CG2 3.46Å; M93-T120 PolarHBondContact O-OG1 3.12Å; M93-T120 VanDerWaalsContact O-OG1 3.08Å
94	D	94.3	Very high	96.8	Very high	79 Å²	79	56.2 Å²	56.2	42%	0.422	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31	178.1	59.7	-19.5	0	0	0	112.5	P118 T120	D94-P118 WeakPolarHBondContact CB-O 3.37Å; D94-T120 PolarHBondContact N-OG1 2.98Å
95	Y	94.5	Very high	96.9	Very high	120 Å²	120	58 Å²	58	47%	0.471	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-4.7	180	58.1	-100.6	0	0	0	115.5	A70 M93 F97 I98	A70-Y95 HydrophobicContact CB-CD2 3.45Å; A70-Y95 VanDerWaalsContact CB-CD2 3.45Å; A70-Y95 HydrophobicContact CB-CE2 3.85Å; M93-Y95 HydrophobicContact CB-CD1 4.01Å; M93-Y95 HydrophobicContact CB-CD2 4.39Å; M93-Y95 HydrophobicContact CB-CE1 3.6Å; M93-Y95 HydrophobicContact CB-CE2 4.04Å; M93-Y95 HydrophobicContact CB-CG 4.37Å; M93-Y95 HydrophobicContact CE-CE1 4.19Å; M93-Y95 HydrophobicContact CG-CE1 4.09Å; M93-Y95 HydrophobicContact CG-CE2 4.47Å; M93-Y95 PolarHBondContact O-N 3.48Å; Y95-F97 PolarHBondContact O-N 2.77Å; Y95-F97 VanDerWaalsContact O-N 3.16Å; Y95-I98 VanDerWaalsContact CA-CD1 3.49Å; Y95-I98 PolarHBondContact O-N 2.94Å
96	T	97.1	Very high	96.9	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.043	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.4	-172.1	-63.4	0	0	0	0	113.3	L68 L73 V92 M93	L68-T96 HydrophobicContact CB-CG2 3.82Å; L68-T96 HydrophobicContact CD1-CG2 4.4Å; L73-T96 HydrophobicContact CD2-CG2 4.4Å; V92-T96 HydrophobicContact CG1-CG2 4.07Å; M93-T96 PolarHBondContact N-OG1 2.85Å; M93-T96 VanDerWaalsContact N-OG1 3.1Å; M93-T96 PolarHBondContact O-N 3.19Å; M93-T96 PolarHBondContact O-OG1 2.93Å
97	F	97.2	Very high	96.9	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	12.5	-173.1	-57.3	-63.4	0	0	0	115	L68 L73 L82 V92 Y95 G99 V100 L106 L108 T120 F121 L124	L68-F97 HydrophobicContact CD1-CE1 4.14Å; L68-F97 HydrophobicContact CD1-CZ 4.23Å; L73-F97 HydrophobicContact CD2-CD1 3.8Å; L73-F97 HydrophobicContact CD2-CE1 3.86Å; L82-F97 HydrophobicContact CD2-CE1 4.16Å; V92-F97 HydrophobicContact CG1-CD2 4.34Å; V92-F97 HydrophobicContact CG1-CE2 3.52Å; V92-F97 HydrophobicContact CG1-CZ 3.99Å; Y95-F97 PolarHBondContact O-N 2.77Å; Y95-F97 VanDerWaalsContact O-N 3.16Å; F97-G99 PolarHBondContact O-N 2.83Å; F97-G99 VanDerWaalsContact O-N 3.13Å; F97-V100 HydrophobicContact CB-CG2 3.77Å; F97-V100 HydrophobicContact CD1-CG2 3.9Å; F97-V100 HydrophobicContact CG-CG2 4.32Å; F97-V100 WeakPolarHBondContact O-CG2 3.28Å; F97-V100 PolarHBondContact O-N 2.92Å; F97-V100 VanDerWaalsContact O-N 3.11Å; F97-L106 HydrophobicContact CE1-CD1 4.31Å; F97-L106 HydrophobicContact CE1-CD2 4.15Å; F97-L106 HydrophobicContact CE2-CD2 3.89Å; F97-L106 HydrophobicContact CZ-CD1 4.28Å; F97-L106 HydrophobicContact CZ-CD2 3.67Å; F97-L108 HydrophobicContact CZ-CD1 4.3Å; F97-T120 HydrophobicContact CD2-CG2 4.01Å; F97-T120 HydrophobicContact CE2-CG2 3.97Å; F97-F121 HydrophobicContact CD2-CD1 4.25Å; F97-F121 HydrophobicContact CD2-CE1 4.34Å; F97-F121 HydrophobicContact CE2-CD1 4.12Å; F97-F121 AromaticContact CE2-CE1 3.76Å; F97-F121 HydrophobicContact CE2-CE1 3.76Å; F97-L124 HydrophobicContact CB-CD1 4.15Å; F97-L124 HydrophobicContact CB-CD2 3.98Å; F97-L124 HydrophobicContact CB-CG 4.23Å; F97-L124 HydrophobicContact CD2-CD1 4.22Å; F97-L124 HydrophobicContact CG-CD1 4.2Å
98	I	94.5	Very high	96.9	Very high	103 Å²	103	51.2 Å²	51.2	53%	0.528	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-38.5	-174.1	-76.2	174.2	0	0	0	113.1	Y95 V123	Y95-I98 VanDerWaalsContact CA-CD1 3.49Å; Y95-I98 PolarHBondContact O-N 2.94Å; I98-V123 HydrophobicContact CG1-CG2 4.35Å
99	G	94.5	Very high	97	Very high	19 Å²	19	45.1 Å²	45.1	20%	0.196	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.7	-176.6	0	0	0	0	0	115.7	G74 S77 F97	G74-G99 WeakPolarHBondContact O-CA 3.14Å; S77-G99 WeakPolarHBondContact CA-O 3.48Å; F97-G99 PolarHBondContact O-N 2.83Å; F97-G99 VanDerWaalsContact O-N 3.13Å
100	V	96.9	Very high	97	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.222	C	C	.	.			trans	-107.8	47.6	-174.9	-64.8	0	0	0	0	112.2	L73 L76 L79 F97 K102 L103 L124	L73-V100 HydrophobicContact CD1-CG1 4.23Å; L73-V100 HydrophobicContact CG-CG1 4.1Å; L73-V100 WeakPolarHBondContact O-CG1 3.44Å; L76-V100 HydrophobicContact CB-CG1 4.43Å; L79-V100 HydrophobicContact CB-CG1 4.16Å; L79-V100 HydrophobicContact CD2-CG1 4.05Å; F97-V100 HydrophobicContact CB-CG2 3.77Å; F97-V100 HydrophobicContact CD1-CG2 3.9Å; F97-V100 HydrophobicContact CG-CG2 4.32Å; F97-V100 WeakPolarHBondContact O-CG2 3.28Å; F97-V100 PolarHBondContact O-N 2.92Å; F97-V100 VanDerWaalsContact O-N 3.11Å; V100-K102 PolarHBondContact O-N 3.37Å; V100-K102 VanDerWaalsContact O-N 3.1Å; V100-L103 WeakPolarHBondContact O-CB 3.34Å; V100-L103 PolarHBondContact O-N 3.18Å; V100-L103 VanDerWaalsContact O-N 3.12Å; V100-L124 HydrophobicContact CG2-CD2 4.32Å; V100-L124 VanDerWaalsContact O-CD2 3.29Å; V100-L124 WeakPolarHBondContact O-CD2 3.48Å
101	F	95.2	Very high	97.1	Very high	94 Å²	94	40.2 Å²	40.2	41%	0.412	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-12.5	-175	59.8	-89.7	0	0	0	115.4	L103 V123 N126	F101-L103 VanDerWaalsContact C-N 3.33Å; F101-V123 HydrophobicContact CB-CG1 4.4Å; F101-N126 PolarHBondContact O-ND2 3.36Å
102	K	97.4	Very high	97.1	Very high	75 Å²	75	37.7 Å²	37.7	33%	0.326	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	3.2	175.6	-61.3	-171.9	-167.7	170.1	0	113.5	S77 D78 L79 V100 I104	S77-K102 WeakPolarHBondContact O-CD 3.19Å; D78-K102 IonicContact OD1-NZ 2.66Å; D78-K102 PolarHBondContact OD1-NZ 3.11Å; L79-K102 CarbonylContact O-C 3.59Å; L79-K102 VanDerWaalsContact O-C 3.28Å; V100-K102 PolarHBondContact O-N 3.37Å; V100-K102 VanDerWaalsContact O-N 3.1Å; K102-I104 PolarHBondContact O-N 3.01Å
103	L	98.2	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.			trans	-61.9	128.1	-178.3	-150.7	74.2	0	0	0	110.6	L79 L82 V100 F101 L106 L124 N126 L127	L79-L103 HydrophobicContact CB-CD1 4.42Å; L79-L103 HydrophobicContact CD2-CD1 3.93Å; L79-L103 HydrophobicContact CG-CD1 3.88Å; L79-L103 PolarHBondContact O-N 3.24Å; L82-L103 HydrophobicContact CB-CD1 3.87Å; L82-L103 HydrophobicContact CB-CD2 4.42Å; V100-L103 WeakPolarHBondContact O-CB 3.34Å; V100-L103 PolarHBondContact O-N 3.18Å; V100-L103 VanDerWaalsContact O-N 3.12Å; F101-L103 VanDerWaalsContact C-N 3.33Å; L103-L106 HydrophobicContact CD2-CB 3.8Å; L103-L106 HydrophobicContact CD2-CD1 4.17Å; L103-L106 HydrophobicContact CD2-CD2 4.15Å; L103-L106 HydrophobicContact CD2-CG 4.27Å; L103-L124 HydrophobicContact CB-CD2 4.01Å; L103-L124 HydrophobicContact CD2-CD1 4.16Å; L103-N126 CarbonylContact O-C 3.56Å; L103-N126 VanDerWaalsContact O-C 3.29Å; L103-L127 HydrophobicContact CB-CD1 4.47Å; L103-L127 HydrophobicContact CD2-CD1 4.24Å; L103-L127 HydrophobicContact CG-CD1 4.37Å; L103-L127 WeakPolarHBondContact O-CA 3.38Å; L103-L127 PolarHBondContact O-N 3.05Å
104	I	98.4	Very high	97.1	Very high	77 Å²	77	37.3 Å²	37.3	40%	0.395	19%	0.189	S	C	.	.			trans	-108.4	-34.3	177.4	-66.1	-179.2	0	0	0	110.2	V80 K102 V128 Q129	V80-I104 HydrophobicContact CG1-CB 3.86Å; V80-I104 HydrophobicContact CG1-CD1 3.64Å; V80-I104 HydrophobicContact CG1-CG1 3.8Å; V80-I104 PolarHBondContact O-N 3.44Å; K102-I104 PolarHBondContact O-N 3.01Å; I104-V128 HydrophobicContact CG2-CB 3.91Å; I104-V128 HydrophobicContact CG2-CG2 3.85Å; I104-V128 PolarHBondContact O-N 2.89Å; I104-Q129 PolarHBondContact O-N 2.95Å
105	Y	98.8	Very high	97.2	Very high	38 Å²	38	35.5 Å²	35.5	15%	0.149	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.6	-178.1	179.6	-82	0	0	0	110.7	V80 Y81 L82 D107 Q129	V80-Y105 PolarHBondContact O-N 3.47Å; V80-Y105 VanDerWaalsContact O-N 3.13Å; Y81-Y105 HydrophobicContact CD1-CD1 4.24Å; Y81-Y105 AromaticContact CD2-CD1 3.42Å; Y81-Y105 HydrophobicContact CD2-CD1 3.42Å; Y81-Y105 VanDerWaalsContact CD2-CD1 3.42Å; Y81-Y105 HydrophobicContact CD2-CD2 4.34Å; Y81-Y105 HydrophobicContact CD2-CE1 4.17Å; Y81-Y105 AromaticContact CD2-CG 3.51Å; Y81-Y105 HydrophobicContact CD2-CG 3.51Å; Y81-Y105 AromaticContact CE1-CD1 4Å; Y81-Y105 HydrophobicContact CE1-CD1 4Å; Y81-Y105 HydrophobicContact CE1-CE1 4Å; Y81-Y105 AromaticContact CE2-CD1 3.1Å; Y81-Y105 HydrophobicContact CE2-CD1 3.1Å; Y81-Y105 AromaticContact CE2-CD2 3.85Å; Y81-Y105 HydrophobicContact CE2-CD2 3.85Å; Y81-Y105 AromaticContact CE2-CE1 3.4Å; Y81-Y105 HydrophobicContact CE2-CE1 3.4Å; Y81-Y105 HydrophobicContact CE2-CE2 4.1Å; Y81-Y105 AromaticContact CE2-CG 3.35Å; Y81-Y105 HydrophobicContact CE2-CG 3.35Å; Y81-Y105 AromaticContact CE2-CZ 3.9Å; Y81-Y105 AromaticContact CG-CD1 3.97Å; Y81-Y105 HydrophobicContact CG-CD1 3.97Å; Y81-Y105 HydrophobicContact CG-CG 4.39Å; Y81-Y105 AromaticContact CZ-CD1 3.41Å; Y81-Y105 VanDerWaalsContact CZ-CD1 3.41Å; Y81-Y105 AromaticContact CZ-CE1 3.27Å; Y81-Y105 AromaticContact CZ-CZ 3.92Å; Y81-Y105 VanDerWaalsContact OH-CE1 3.24Å; Y81-Y105 WeakPolarHBondContact OH-CE1 3.38Å; L82-Y105 PolarHBondContact N-O 3.23Å; Y105-D107 HydrophobicContact CE1-CB 3.65Å; Y105-D107 PolarHBondContact OH-OD2 2.88Å; Y105-Q129 HydrophobicContact CD2-CB 3.8Å; Y105-Q129 HydrophobicContact CD2-CG 3.69Å; Y105-Q129 HydrophobicContact CE2-CB 4.39Å; Y105-Q129 HydrophobicContact CE2-CG 3.76Å
106	L	98.8	Very high	97.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	118.6	175.1	179.6	54.4	0	0	0	110.5	L82 F97 L103 L108 F121 L124 L127 Q129 L130 N131	L82-L106 HydrophobicContact CB-CD1 4.13Å; L82-L106 HydrophobicContact CD2-CD1 3.9Å; L82-L106 HydrophobicContact CG-CD1 4.05Å; L82-L106 WeakPolarHBondContact O-CA 3.36Å; F97-L106 HydrophobicContact CE1-CD1 4.31Å; F97-L106 HydrophobicContact CE1-CD2 4.15Å; F97-L106 HydrophobicContact CE2-CD2 3.89Å; F97-L106 HydrophobicContact CZ-CD1 4.28Å; F97-L106 HydrophobicContact CZ-CD2 3.67Å; L103-L106 HydrophobicContact CD2-CB 3.8Å; L103-L106 HydrophobicContact CD2-CD1 4.17Å; L103-L106 HydrophobicContact CD2-CD2 4.15Å; L103-L106 HydrophobicContact CD2-CG 4.27Å; L106-L108 HydrophobicContact CD1-CD1 4.38Å; L106-L108 HydrophobicContact CD1-CD2 4.29Å; L106-L108 HydrophobicContact CD1-CG 3.98Å; L106-L108 HydrophobicContact CD2-CD1 4.06Å; L106-L108 HydrophobicContact CD2-CG 4.5Å; L106-L108 HydrophobicContact CG-CD1 4.19Å; L106-L108 HydrophobicContact CG-CG 4.1Å; L106-F121 HydrophobicContact CD2-CD1 4.13Å; L106-F121 HydrophobicContact CD2-CE1 3.73Å; L106-L124 HydrophobicContact CD2-CD1 4.3Å; L106-L127 HydrophobicContact CB-CD1 3.88Å; L106-Q129 PolarHBondContact N-O 3.2Å; L106-L130 HydrophobicContact CB-CD1 4.04Å; L106-L130 HydrophobicContact CD2-CD1 3.87Å; L106-L130 HydrophobicContact CG-CD1 3.91Å; L106-L130 WeakPolarHBondContact O-CA 3.14Å; L106-N131 PolarHBondContact O-N 2.84Å
107	D	98.8	Very high	97.3	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.032	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.1	171.5	-158.8	-38.2	0	0	0	110.9	L82 C84 Q85 Y105 S109 N131	L82-D107 PolarHBondContact O-N 3.32Å; C84-D107 CarbonylContact C-O 3.22Å; C84-D107 WeakPolarHBondContact CA-O 3.36Å; C84-D107 WeakPolarHBondContact CB-O 3.37Å; C84-D107 PolarHBondContact N-O 3.25Å; Q85-D107 PolarHBondContact N-O 3.11Å; Y105-D107 HydrophobicContact CE1-CB 3.65Å; Y105-D107 PolarHBondContact OH-OD2 2.88Å; D107-S109 WeakPolarHBondContact OD1-CA 3.26Å; D107-S109 WeakPolarHBondContact OD1-CB 3.36Å; D107-S109 PolarHBondContact OD1-N 3.17Å; D107-S109 PolarHBondContact OD1-OG 2.91Å; D107-N131 HydrophobicContact CB-CB 4.42Å; D107-N131 PolarHBondContact OD1-ND2 2.71Å; D107-N131 PolarHBondContact OD2-ND2 3.19Å
108	L	98.5	Very high	97.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.187	C	C	.	.			trans	-117.5	17.2	173.8	-65.2	167.9	0	0	0	110.8	L68 C84 I89 V92 F97 L106 N111 L113 F121 N131 I132 N135	L68-L108 HydrophobicContact CD1-CD2 4.12Å; C84-L108 HydrophobicContact CB-CD2 4Å; I89-L108 HydrophobicContact CD1-CD2 4.09Å; V92-L108 HydrophobicContact CG2-CD1 4.29Å; F97-L108 HydrophobicContact CZ-CD1 4.3Å; L106-L108 HydrophobicContact CD1-CD1 4.38Å; L106-L108 HydrophobicContact CD1-CD2 4.29Å; L106-L108 HydrophobicContact CD1-CG 3.98Å; L106-L108 HydrophobicContact CD2-CD1 4.06Å; L106-L108 HydrophobicContact CD2-CG 4.5Å; L106-L108 HydrophobicContact CG-CD1 4.19Å; L106-L108 HydrophobicContact CG-CG 4.1Å; L108-N111 WeakPolarHBondContact O-CB 3.45Å; L108-N111 PolarHBondContact O-ND2 3.27Å; L108-L113 HydrophobicContact CB-CD1 4.23Å; L108-F121 HydrophobicContact CD1-CE1 4.33Å; L108-F121 HydrophobicContact CD1-CZ 4.4Å; L108-N131 PolarHBondContact N-O 3.11Å; L108-I132 HydrophobicContact CB-CG2 4.28Å; L108-I132 HydrophobicContact CD1-CG2 4.4Å; L108-N135 PolarHBondContact O-ND2 3.23Å
109	S	98.7	Very high	97.3	Very high	5 Å²	5	32.7 Å²	32.7	4%	0.035	18%	0.181	C	C	.	.			trans	-69.7	157.9	-176	70.6	0	0	0	0	112.8	Q85 K86 D107 N111 N131 A133	Q85-S109 CarbonylContact C-O 3.46Å; Q85-S109 WeakPolarHBondContact CA-O 3.41Å; K86-S109 PolarHBondContact N-O 2.82Å; D107-S109 WeakPolarHBondContact OD1-CA 3.26Å; D107-S109 WeakPolarHBondContact OD1-CB 3.36Å; D107-S109 PolarHBondContact OD1-N 3.17Å; D107-S109 PolarHBondContact OD1-OG 2.91Å; S109-N111 PolarHBondContact O-N 3.06Å; S109-N111 PolarHBondContact O-ND2 2.8Å; S109-N131 WeakPolarHBondContact CB-ND2 3.21Å; S109-N131 WeakPolarHBondContact CB-OD1 3.45Å; S109-N131 PolarHBondContact N-O 2.56Å; S109-N131 PolarHBondContact OG-ND2 2.91Å; S109-A133 CarbonylContact C-O 3.54Å; S109-A133 WeakPolarHBondContact CA-O 3.46Å; S109-A133 VanDerWaalsContact CB-O 3.26Å; S109-A133 WeakPolarHBondContact CB-O 3.48Å
110	S	98.4	Very high	97.4	Very high	38 Å²	38	31.8 Å²	31.8	27%	0.266	17%	0.172	S	C	.	.	S	Bend	trans	55.4	39.6	178.5	-44.9	0	0	0	0	112.4	K86 A133 N134	K86-S110 VanDerWaalsContact CA-O 3.22Å; K86-S110 WeakPolarHBondContact CA-O 3.16Å; K86-S110 PolarHBondContact N-O 3.46Å; S110-A133 PolarHBondContact N-O 3.34Å; S110-N134 WeakPolarHBondContact CA-O 3.4Å; S110-N134 PolarHBondContact OG-ND2 3.49Å
111	N	98.4	Very high	97.4	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.059	17%	0.172	C	C	.	.	S	Bend	trans	-103	-164.1	173.3	-87.7	-84	0	0	0	109.9	C84 N87 W88 I89 L108 S109 L113 N135	C84-N111 PolarHBondContact O-ND2 2.8Å; N87-N111 VanDerWaalsContact CA-OD1 3.26Å; N87-N111 WeakPolarHBondContact CA-OD1 3.5Å; N87-N111 WeakPolarHBondContact CB-OD1 3.45Å; N87-N111 PolarHBondContact N-OD1 2.92Å; N87-N111 WeakPolarHBondContact O-CA 3.39Å; N87-N111 PolarHBondContact O-OD1 3.06Å; N87-N111 VanDerWaalsContact O-OD1 3.12Å; W88-N111 PolarHBondContact N-OD1 2.61Å; I89-N111 HydrophobicContact CB-CB 4.36Å; I89-N111 WeakPolarHBondContact CB-OD1 3.05Å; I89-N111 WeakPolarHBondContact CG1-OD1 3.29Å; I89-N111 PolarHBondContact N-OD1 3.22Å; L108-N111 WeakPolarHBondContact O-CB 3.45Å; L108-N111 PolarHBondContact O-ND2 3.27Å; S109-N111 PolarHBondContact O-N 3.06Å; S109-N111 PolarHBondContact O-ND2 2.8Å; N111-L113 HydrophobicContact CB-CG 4.19Å; N111-N135 WeakPolarHBondContact CA-OD1 3.48Å; N111-N135 WeakPolarHBondContact CB-OD1 3.42Å; N111-N135 PolarHBondContact N-OD1 3.3Å; N111-N135 PolarHBondContact O-OD1 3.05Å; N111-N135 VanDerWaalsContact O-OD1 3.11Å
112	N	96.8	Very high	97.4	Very high	55 Å²	55	28.5 Å²	28.5	29%	0.294	16%	0.16	S	C	.	.			trans	-117.8	41.4	174	-167.9	61	0	0	0	110.9	I89 R90 T114 N135 H137	I89-N112 CarbonylContact O-C 3.36Å; I89-N112 WeakPolarHBondContact O-CA 3.39Å; I89-N112 PolarHBondContact O-N 3.47Å; R90-N112 WeakPolarHBondContact CA-O 3.45Å; N112-T114 PolarHBondContact O-N 2.82Å; N112-N135 PolarHBondContact N-OD1 3.46Å; N112-H137 PolarHBondContact OD1-CD2 3.28Å
113	L	98	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.161	C	C	.	.			trans	-64	122.9	-175.8	-64.2	175.6	0	0	0	110.5	I89 R90 V92 L108 N111 I116 N135 H137 L138	I89-L113 HydrophobicContact CB-CD2 4.24Å; I89-L113 HydrophobicContact CG2-CD2 3.74Å; I89-L113 PolarHBondContact O-N 3.34Å; R90-L113 CarbonylContact O-C 3.29Å; R90-L113 VanDerWaalsContact O-CA 3.29Å; R90-L113 WeakPolarHBondContact O-CA 3.44Å; V92-L113 HydrophobicContact CG2-CD2 3.75Å; L108-L113 HydrophobicContact CB-CD1 4.23Å; N111-L113 HydrophobicContact CB-CG 4.19Å; L113-I116 HydrophobicContact CD1-CD1 4.31Å; L113-N135 HydrophobicContact CB-CB 3.92Å; L113-N135 WeakPolarHBondContact CB-OD1 3.27Å; L113-N135 WeakPolarHBondContact CG-OD1 3.47Å; L113-N135 PolarHBondContact N-OD1 2.97Å; L113-H137 CarbonylContact O-C 3.51Å; L113-L138 PolarHBondContact O-N 3.32Å
114	T	96.7	Very high	97.1	Very high	56 Å²	56	27.6 Å²	27.6	34%	0.344	16%	0.161	S	C	.	.			trans	-105.2	-26.2	175.3	51.4	0	0	0	0	112	R90 N112 H137	R90-T114 PolarHBondContact O-N 3.38Å; R90-T114 PolarHBondContact O-OG1 3.07Å; N112-T114 PolarHBondContact O-N 2.82Å; T114-H137 WeakPolarHBondContact CA-O 3.44Å; T114-H137 HydrophobicContact CG2-CB 3.92Å
115	S	95.8	Very high	97	Very high	40 Å²	40	26 Å²	26	28%	0.28	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	143.7	-179.8	65.5	0	0	0	0	111.5	E91 V92	E91-S115 WeakPolarHBondContact CG-OG 3.35Å; E91-S115 PolarHBondContact OE1-OG 2.96Å; V92-S115 PolarHBondContact N-O 2.99Å
116	I	97.6	Very high	96.9	Very high	15 Å²	15	27.7 Å²	27.7	8%	0.077	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.2	168	-64	174.1	0	0	0	106.4	L113 T120 F121 I132 L138 L141 T145	L113-I116 HydrophobicContact CD1-CD1 4.31Å; I116-T120 HydrophobicContact CG2-CG2 4.05Å; I116-F121 HydrophobicContact CD1-CE2 4.39Å; I116-F121 HydrophobicContact CD1-CZ 4.37Å; I116-F121 HydrophobicContact CG2-CE2 3.93Å; I116-F121 HydrophobicContact CG2-CZ 4.27Å; I116-I132 HydrophobicContact CD1-CD1 3.97Å; I116-L138 HydrophobicContact CB-CD1 4.4Å; I116-L138 HydrophobicContact CD1-CD1 4.11Å; I116-L138 HydrophobicContact CD1-CD2 3.98Å; I116-L138 HydrophobicContact CG1-CD1 3.84Å; I116-L141 HydrophobicContact CB-CD2 4.36Å; I116-L141 HydrophobicContact CD1-CD2 4.07Å; I116-T145 HydrophobicContact CG2-CG2 3.8Å
117	S	96.5	Very high	96.8	Very high	24 Å²	24	27.7 Å²	27.7	17%	0.168	17%	0.168	C	C	.	.			trans	-63.6	153.4	-178.5	-66.7	0	0	0	0	111.8	V92 T120	V92-S117 PolarHBondContact O-N 3.12Å; V92-S117 PolarHBondContact O-OG 2.96Å; S117-T120 PolarHBondContact N-OG1 3.02Å; S117-T120 WeakPolarHBondContact O-CB 3.47Å; S117-T120 PolarHBondContact O-N 3.09Å; S117-T120 PolarHBondContact O-OG1 3.13Å
118	P	96.1	Very high	96.8	Very high	55 Å²	55	29.7 Å²	29.7	36%	0.357	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	147.4	168.6	-22.1	33.6	0	0	0	110.5	D94 T120 H142	D94-P118 WeakPolarHBondContact CB-O 3.37Å; P118-T120 PolarHBondContact O-N 2.99Å; P118-H142 HydrophobicContact CB-CB 4.3Å; P118-H142 HydrophobicContact CG-CB 4.09Å
119	L	95.6	Very high	96.8	Very high	78 Å²	78	32.6 Å²	32.6	41%	0.408	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	4.7	176.4	-52.8	170.3	0	0	0	116	F121 S122 F144 A147	L119-F121 VanDerWaalsContact C-N 3.28Å; L119-F121 PolarHBondContact O-N 3.05Å; L119-F121 VanDerWaalsContact O-N 3.16Å; L119-S122 VanDerWaalsContact O-CB 3.25Å; L119-S122 WeakPolarHBondContact O-CB 3.04Å; L119-S122 PolarHBondContact O-N 2.83Å; L119-S122 PolarHBondContact O-OG 3.05Å; L119-F144 WeakPolarHBondContact CA-O 3.43Å; L119-F144 HydrophobicContact CD2-CB 3.86Å; L119-F144 HydrophobicContact CG-CB 4.42Å; L119-F144 PolarHBondContact N-O 3.31Å; L119-F144 VanDerWaalsContact N-O 3.11Å; L119-A147 HydrophobicContact CD2-CB 3.82Å
120	T	96.6	Very high	96.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-41.1	-180	-73.1	0	0	0	0	114.8	V92 M93 D94 F97 I116 S117 P118	V92-T120 HydrophobicContact CB-CG2 4.22Å; V92-T120 HydrophobicContact CG1-CG2 3.47Å; V92-T120 VanDerWaalsContact CG1-CG2 3.47Å; M93-T120 VanDerWaalsContact C-OG1 3.29Å; M93-T120 WeakPolarHBondContact O-CG2 3.46Å; M93-T120 PolarHBondContact O-OG1 3.12Å; M93-T120 VanDerWaalsContact O-OG1 3.08Å; D94-T120 PolarHBondContact N-OG1 2.98Å; F97-T120 HydrophobicContact CD2-CG2 4.01Å; F97-T120 HydrophobicContact CE2-CG2 3.97Å; I116-T120 HydrophobicContact CG2-CG2 4.05Å; S117-T120 PolarHBondContact N-OG1 3.02Å; S117-T120 WeakPolarHBondContact O-CB 3.47Å; S117-T120 PolarHBondContact O-N 3.09Å; S117-T120 PolarHBondContact O-OG1 3.13Å; P118-T120 PolarHBondContact O-N 2.99Å
121	F	96.7	Very high	96.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	1.4	-179.5	-53.5	-63.7	0	0	0	112.9	F97 L106 L108 I116 L119 V123 L124 L130 T145 F146 T149	F97-F121 HydrophobicContact CD2-CD1 4.25Å; F97-F121 HydrophobicContact CD2-CE1 4.34Å; F97-F121 HydrophobicContact CE2-CD1 4.12Å; F97-F121 AromaticContact CE2-CE1 3.76Å; F97-F121 HydrophobicContact CE2-CE1 3.76Å; L106-F121 HydrophobicContact CD2-CD1 4.13Å; L106-F121 HydrophobicContact CD2-CE1 3.73Å; L108-F121 HydrophobicContact CD1-CE1 4.33Å; L108-F121 HydrophobicContact CD1-CZ 4.4Å; I116-F121 HydrophobicContact CD1-CE2 4.39Å; I116-F121 HydrophobicContact CD1-CZ 4.37Å; I116-F121 HydrophobicContact CG2-CE2 3.93Å; I116-F121 HydrophobicContact CG2-CZ 4.27Å; L119-F121 VanDerWaalsContact C-N 3.28Å; L119-F121 PolarHBondContact O-N 3.05Å; L119-F121 VanDerWaalsContact O-N 3.16Å; F121-V123 VanDerWaalsContact C-N 3.27Å; F121-V123 PolarHBondContact O-N 2.83Å; F121-L124 HydrophobicContact CD1-CD1 4.06Å; F121-L124 WeakPolarHBondContact O-CB 3.44Å; F121-L124 PolarHBondContact O-N 3.37Å; F121-L130 HydrophobicContact CD1-CD2 4.29Å; F121-L130 HydrophobicContact CD2-CD2 3.86Å; F121-L130 HydrophobicContact CE1-CD1 4.02Å; F121-L130 HydrophobicContact CE1-CD2 4.22Å; F121-L130 HydrophobicContact CE2-CD2 3.78Å; F121-L130 HydrophobicContact CG-CD2 4.12Å; F121-L130 HydrophobicContact CZ-CD1 4.14Å; F121-L130 HydrophobicContact CZ-CD2 3.97Å; F121-T145 HydrophobicContact CD2-CG2 3.66Å; F121-T145 HydrophobicContact CE2-CG2 3.72Å; F121-T145 PolarHBondContact N-O 3.19Å; F121-F146 AromaticContact CD2-CD1 3.85Å; F121-F146 HydrophobicContact CD2-CD1 3.85Å; F121-F146 AromaticContact CD2-CE1 3.84Å; F121-F146 HydrophobicContact CD2-CE1 3.84Å; F121-F146 HydrophobicContact CE2-CD1 4.49Å; F121-F146 HydrophobicContact CE2-CE1 4.03Å; F121-T149 HydrophobicContact CB-CG2 3.73Å; F121-T149 WeakPolarHBondContact O-CG2 3.11Å
122	S	94.4	Very high	96.8	Very high	25 Å²	25	30.9 Å²	30.9	18%	0.175	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.8	-167.9	67.3	0	0	0	0	116.2	L119 L124 A147 N148	L119-S122 VanDerWaalsContact O-CB 3.25Å; L119-S122 WeakPolarHBondContact O-CB 3.04Å; L119-S122 PolarHBondContact O-N 2.83Å; L119-S122 PolarHBondContact O-OG 3.05Å; S122-L124 VanDerWaalsContact C-N 3.29Å; S122-A147 WeakPolarHBondContact CA-O 3.22Å; S122-A147 WeakPolarHBondContact CB-O 3.2Å; S122-N148 PolarHBondContact O-ND2 2.83Å; S122-N148 VanDerWaalsContact O-ND2 3.1Å
123	V	94.4	Very high	96.9	Very high	55 Å²	55	28.4 Å²	28.4	33%	0.333	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.7	174.9	-174.5	0	0	0	0	111.3	I98 F101 F121 S125	I98-V123 HydrophobicContact CG1-CG2 4.35Å; F101-V123 HydrophobicContact CB-CG1 4.4Å; F121-V123 VanDerWaalsContact C-N 3.27Å; F121-V123 PolarHBondContact O-N 2.83Å; V123-S125 VanDerWaalsContact C-N 3.31Å; V123-S125 PolarHBondContact O-N 3.4Å; V123-S125 VanDerWaalsContact O-N 3.07Å
124	L	96.3	Very high	96.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.			trans	-89	60.7	-174.4	-53.5	-179.7	0	0	0	111.8	F97 V100 L103 L106 F121 S122 N126 L127	F97-L124 HydrophobicContact CB-CD1 4.15Å; F97-L124 HydrophobicContact CB-CD2 3.98Å; F97-L124 HydrophobicContact CB-CG 4.23Å; F97-L124 HydrophobicContact CD2-CD1 4.22Å; F97-L124 HydrophobicContact CG-CD1 4.2Å; V100-L124 HydrophobicContact CG2-CD2 4.32Å; V100-L124 VanDerWaalsContact O-CD2 3.29Å; V100-L124 WeakPolarHBondContact O-CD2 3.48Å; L103-L124 HydrophobicContact CB-CD2 4.01Å; L103-L124 HydrophobicContact CD2-CD1 4.16Å; L106-L124 HydrophobicContact CD2-CD1 4.3Å; F121-L124 HydrophobicContact CD1-CD1 4.06Å; F121-L124 WeakPolarHBondContact O-CB 3.44Å; F121-L124 PolarHBondContact O-N 3.37Å; S122-L124 VanDerWaalsContact C-N 3.29Å; L124-N126 PolarHBondContact O-N 3.4Å; L124-L127 HydrophobicContact CB-CB 3.88Å; L124-L127 HydrophobicContact CB-CD2 4.31Å; L124-L127 HydrophobicContact CD1-CD1 4.45Å; L124-L127 HydrophobicContact CD1-CD2 4.03Å; L124-L127 VanDerWaalsContact O-CB 3.25Å; L124-L127 WeakPolarHBondContact O-CB 3.44Å; L124-L127 PolarHBondContact O-N 2.79Å
125	S	94.6	Very high	97	Very high	43 Å²	43	28.9 Å²	28.9	30%	0.301	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.2	-178.4	58.5	0	0	0	0	114.1	V123 S151	V123-S125 VanDerWaalsContact C-N 3.31Å; V123-S125 PolarHBondContact O-N 3.4Å; V123-S125 VanDerWaalsContact O-N 3.07Å; S125-S151 WeakPolarHBondContact O-CB 3.49Å; S125-S151 PolarHBondContact O-OG 3.02Å
126	N	96.6	Very high	97	Very high	74 Å²	74	30.3 Å²	30.3	40%	0.396	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1	177	-62	-56.2	0	0	0	113.7	F101 L103 L124 V128	F101-N126 PolarHBondContact O-ND2 3.36Å; L103-N126 CarbonylContact O-C 3.56Å; L103-N126 VanDerWaalsContact O-C 3.29Å; L124-N126 PolarHBondContact O-N 3.4Å; N126-V128 PolarHBondContact O-N 3.11Å
127	L	98.1	Very high	96.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.			trans	-66.5	122.9	-176.8	-165.1	68.1	0	0	0	109.8	L103 L106 L124 L130 S151 L152	L103-L127 HydrophobicContact CB-CD1 4.47Å; L103-L127 HydrophobicContact CD2-CD1 4.24Å; L103-L127 HydrophobicContact CG-CD1 4.37Å; L103-L127 WeakPolarHBondContact O-CA 3.38Å; L103-L127 PolarHBondContact O-N 3.05Å; L106-L127 HydrophobicContact CB-CD1 3.88Å; L124-L127 HydrophobicContact CB-CB 3.88Å; L124-L127 HydrophobicContact CB-CD2 4.31Å; L124-L127 HydrophobicContact CD1-CD1 4.45Å; L124-L127 HydrophobicContact CD1-CD2 4.03Å; L124-L127 VanDerWaalsContact O-CB 3.25Å; L124-L127 WeakPolarHBondContact O-CB 3.44Å; L124-L127 PolarHBondContact O-N 2.79Å; L127-L130 HydrophobicContact CD2-CB 4.01Å; L127-L130 HydrophobicContact CD2-CD1 4.42Å; L127-L130 HydrophobicContact CD2-CD2 4.34Å; L127-L130 HydrophobicContact CD2-CG 4.5Å; L127-S151 CarbonylContact O-C 3.11Å; L127-L152 HydrophobicContact CB-CD1 4.31Å; L127-L152 HydrophobicContact CD2-CD1 3.97Å; L127-L152 HydrophobicContact CG-CD1 3.86Å; L127-L152 WeakPolarHBondContact O-CA 3.48Å; L127-L152 PolarHBondContact O-N 2.9Å
128	V	98.3	Very high	96.9	Very high	49 Å²	49	33.6 Å²	33.6	30%	0.297	19%	0.19	S	C	.	.			trans	-103.8	-36.4	179.5	175.7	0	0	0	0	110.7	I104 N126 R153 Y154	I104-V128 HydrophobicContact CG2-CB 3.91Å; I104-V128 HydrophobicContact CG2-CG2 3.85Å; I104-V128 PolarHBondContact O-N 2.89Å; N126-V128 PolarHBondContact O-N 3.11Å; V128-R153 HydrophobicContact CG1-CB 4.09Å; V128-R153 HydrophobicContact CG1-CG 4.18Å; V128-R153 PolarHBondContact O-N 2.96Å; V128-Y154 PolarHBondContact O-N 3.5Å
129	Q	98.6	Very high	96.8	Very high	60 Å²	60	35.4 Å²	35.4	28%	0.28	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	123	-176.6	-179.8	161.1	7.8	0	0	111.3	I104 Y105 L106 Y154	I104-Q129 PolarHBondContact O-N 2.95Å; Y105-Q129 HydrophobicContact CD2-CB 3.8Å; Y105-Q129 HydrophobicContact CD2-CG 3.69Å; Y105-Q129 HydrophobicContact CE2-CB 4.39Å; Y105-Q129 HydrophobicContact CE2-CG 3.76Å; L106-Q129 PolarHBondContact N-O 3.2Å; Q129-Y154 HydrophobicContact CG-CD1 3.6Å; Q129-Y154 HydrophobicContact CG-CE1 4.32Å; Q129-Y154 HydrophobicContact CG-CG 3.97Å
130	L	98.6	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.2	174.2	179.1	57.5	0	0	0	109.9	L106 F121 L127 I132 F146 L152 Y154 L155 D156	L106-L130 HydrophobicContact CB-CD1 4.04Å; L106-L130 HydrophobicContact CD2-CD1 3.87Å; L106-L130 HydrophobicContact CG-CD1 3.91Å; L106-L130 WeakPolarHBondContact O-CA 3.14Å; F121-L130 HydrophobicContact CD1-CD2 4.29Å; F121-L130 HydrophobicContact CD2-CD2 3.86Å; F121-L130 HydrophobicContact CE1-CD1 4.02Å; F121-L130 HydrophobicContact CE1-CD2 4.22Å; F121-L130 HydrophobicContact CE2-CD2 3.78Å; F121-L130 HydrophobicContact CG-CD2 4.12Å; F121-L130 HydrophobicContact CZ-CD1 4.14Å; F121-L130 HydrophobicContact CZ-CD2 3.97Å; L127-L130 HydrophobicContact CD2-CB 4.01Å; L127-L130 HydrophobicContact CD2-CD1 4.42Å; L127-L130 HydrophobicContact CD2-CD2 4.34Å; L127-L130 HydrophobicContact CD2-CG 4.5Å; L130-I132 HydrophobicContact CD1-CG2 3.89Å; L130-I132 HydrophobicContact CG-CG2 4.14Å; L130-F146 HydrophobicContact CD2-CD1 4.13Å; L130-F146 HydrophobicContact CD2-CE1 3.62Å; L130-L152 HydrophobicContact CB-CD1 3.77Å; L130-L152 HydrophobicContact CB-CD2 4.47Å; L130-Y154 PolarHBondContact N-O 2.99Å; L130-L155 HydrophobicContact CB-CD1 4.15Å; L130-L155 HydrophobicContact CD2-CD1 4Å; L130-L155 HydrophobicContact CG-CD1 4.09Å; L130-L155 WeakPolarHBondContact O-CA 3.36Å; L130-D156 PolarHBondContact O-N 2.88Å; L130-D156 VanDerWaalsContact O-N 3.12Å
131	N	98.7	Very high	96.7	Very high	18 Å²	18	36 Å²	36	10%	0.096	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.1	174.4	-174.3	4.8	0	0	0	109.8	L106 D107 L108 S109 A133	L106-N131 PolarHBondContact O-N 2.84Å; D107-N131 HydrophobicContact CB-CB 4.42Å; D107-N131 PolarHBondContact OD1-ND2 2.71Å; D107-N131 PolarHBondContact OD2-ND2 3.19Å; L108-N131 PolarHBondContact N-O 3.11Å; S109-N131 WeakPolarHBondContact CB-ND2 3.21Å; S109-N131 WeakPolarHBondContact CB-OD1 3.45Å; S109-N131 PolarHBondContact N-O 2.56Å; S109-N131 PolarHBondContact OG-ND2 2.91Å; N131-A133 VanDerWaalsContact OD1-CB 3.26Å; N131-A133 WeakPolarHBondContact OD1-CB 3.4Å; N131-A133 PolarHBondContact OD1-N 3.05Å; N131-A133 VanDerWaalsContact OD1-N 3.09Å
132	I	98.2	Very high	96.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.223	C	C	.	.			trans	-122.4	17.2	173.5	64.2	171.9	0	0	0	111.6	L108 I116 L130 N135 L138 L141 D156 L157 T160	L108-I132 HydrophobicContact CB-CG2 4.28Å; L108-I132 HydrophobicContact CD1-CG2 4.4Å; I116-I132 HydrophobicContact CD1-CD1 3.97Å; L130-I132 HydrophobicContact CD1-CG2 3.89Å; L130-I132 HydrophobicContact CG-CG2 4.14Å; I132-N135 PolarHBondContact O-ND2 3.17Å; I132-L138 HydrophobicContact CD1-CD2 4.01Å; I132-L141 HydrophobicContact CD1-CD1 4.3Å; I132-L141 HydrophobicContact CD1-CD2 4.48Å; I132-D156 WeakPolarHBondContact CG1-O 3.39Å; I132-D156 PolarHBondContact N-O 3.04Å; I132-L157 HydrophobicContact CD1-CD2 3.24Å; I132-L157 HydrophobicContact CG1-CD2 3.38Å; I132-T160 HydrophobicContact CG1-CG2 4.45Å; I132-T160 VanDerWaalsContact O-CG2 3.22Å; I132-T160 WeakPolarHBondContact O-CG2 3.46Å
133	A	98.4	Very high	96.7	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.025	23%	0.232	C	C	.	.			trans	-61.1	161.3	-177	0	0	0	0	0	113.3	S109 S110 N131 N135 D156 R158	S109-A133 CarbonylContact C-O 3.54Å; S109-A133 WeakPolarHBondContact CA-O 3.46Å; S109-A133 VanDerWaalsContact CB-O 3.26Å; S109-A133 WeakPolarHBondContact CB-O 3.48Å; S110-A133 PolarHBondContact N-O 3.34Å; N131-A133 VanDerWaalsContact OD1-CB 3.26Å; N131-A133 WeakPolarHBondContact OD1-CB 3.4Å; N131-A133 PolarHBondContact OD1-N 3.05Å; N131-A133 VanDerWaalsContact OD1-N 3.09Å; A133-N135 VanDerWaalsContact C-N 3.33Å; A133-N135 PolarHBondContact O-N 3.3Å; A133-N135 PolarHBondContact O-ND2 3.2Å; A133-D156 HydrophobicContact CB-CB 4.49Å; A133-D156 WeakPolarHBondContact CB-OD1 3.47Å; A133-D156 PolarHBondContact N-O 2.01Å; A133-R158 CarbonylContact C-O 3.24Å; A133-R158 WeakPolarHBondContact CA-O 3.24Å; A133-R158 HydrophobicContact CB-CB 4.19Å; A133-R158 WeakPolarHBondContact CB-O 3.44Å
134	N	98.3	Very high	96.7	Very high	67 Å²	67	43.9 Å²	43.9	36%	0.358	23%	0.233	S	C	.	.	S	Bend	trans	56.9	44.3	178	-52.6	-43.3	0	0	0	112.9	S110 R158 N159	S110-N134 WeakPolarHBondContact CA-O 3.4Å; S110-N134 PolarHBondContact OG-ND2 3.49Å; N134-R158 PolarHBondContact N-O 3.39Å; N134-N159 CarbonylContact C-O 3.56Å; N134-N159 WeakPolarHBondContact CA-O 3.46Å; N134-N159 WeakPolarHBondContact OD1-CB 3.5Å; N134-N159 PolarHBondContact OD1-ND2 3.12Å
135	N	98.1	Very high	96.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.			trans	-120.3	73.5	171.4	-79.1	-73.2	0	0	0	109.1	L108 N111 N112 L113 I132 A133 H137 L138 N159 T160	L108-N135 PolarHBondContact O-ND2 3.23Å; N111-N135 WeakPolarHBondContact CA-OD1 3.48Å; N111-N135 WeakPolarHBondContact CB-OD1 3.42Å; N111-N135 PolarHBondContact N-OD1 3.3Å; N111-N135 PolarHBondContact O-OD1 3.05Å; N111-N135 VanDerWaalsContact O-OD1 3.11Å; N112-N135 PolarHBondContact N-OD1 3.46Å; L113-N135 HydrophobicContact CB-CB 3.92Å; L113-N135 WeakPolarHBondContact CB-OD1 3.27Å; L113-N135 WeakPolarHBondContact CG-OD1 3.47Å; L113-N135 PolarHBondContact N-OD1 2.97Å; I132-N135 PolarHBondContact O-ND2 3.17Å; A133-N135 VanDerWaalsContact C-N 3.33Å; A133-N135 PolarHBondContact O-N 3.3Å; A133-N135 PolarHBondContact O-ND2 3.2Å; N135-H137 PolarHBondContact O-N 3.41Å; N135-L138 PolarHBondContact O-N 3.15Å; N135-N159 CarbonylContact C-O 3.22Å; N135-N159 PolarHBondContact N-O 3.23Å; N135-N159 VanDerWaalsContact N-O 3.11Å; N135-T160 HydrophobicContact CB-CG2 4.42Å; N135-T160 CarbonylContact O-C 3.53Å; N135-T160 VanDerWaalsContact O-C 3.24Å; N135-T160 WeakPolarHBondContact O-CA 3.36Å
136	P	96.5	Very high	96.7	Very high	70 Å²	70	41.9 Å²	41.9	46%	0.455	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-8.1	-161.7	26.5	-36.6	0	0	0	115.3
137	H	96.4	Very high	96.6	Very high	105 Å²	105	39 Å²	39	49%	0.486	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	7.7	-176.5	-61.4	-63.6	0	0	0	113.9	N112 L113 T114 N135	N112-H137 PolarHBondContact OD1-CD2 3.28Å; L113-H137 CarbonylContact O-C 3.51Å; T114-H137 WeakPolarHBondContact CA-O 3.44Å; T114-H137 HydrophobicContact CG2-CB 3.92Å; N135-H137 PolarHBondContact O-N 3.41Å
138	L	96.1	Very high	96.3	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	23%	0.23	C	C	.	.			trans	-70.9	-34.2	-176.8	-177.3	59.3	0	0	0	112.7	L113 I116 I132 N135 S140 L141 T160	L113-L138 PolarHBondContact O-N 3.32Å; I116-L138 HydrophobicContact CB-CD1 4.4Å; I116-L138 HydrophobicContact CD1-CD1 4.11Å; I116-L138 HydrophobicContact CD1-CD2 3.98Å; I116-L138 HydrophobicContact CG1-CD1 3.84Å; I132-L138 HydrophobicContact CD1-CD2 4.01Å; N135-L138 PolarHBondContact O-N 3.15Å; L138-S140 PolarHBondContact O-N 2.8Å; L138-L141 HydrophobicContact CD2-CD2 3.83Å; L138-L141 HydrophobicContact CD2-CG 4.3Å; L138-L141 HydrophobicContact CG-CD2 4.37Å; L138-T160 WeakPolarHBondContact CB-O 3.48Å; L138-T160 HydrophobicContact CD2-CG2 4.5Å; L138-T160 PolarHBondContact N-O 3.13Å
139	L	93.6	Very high	96	Very high	93 Å²	93	41.3 Å²	41.3	49%	0.487	22%	0.216	S	C	.	.			trans	61.9	-41.5	173.3	-56.6	178.4	0	0	0	117.6	T160 G161 L162 Q163	L139-T160 PolarHBondContact N-O 2.75Å; L139-G161 WeakPolarHBondContact CA-O 3.48Å; L139-L162 WeakPolarHBondContact O-CA 3.49Å; L139-Q163 PolarHBondContact O-N 2.79Å
140	S	93.9	Very high	95.8	Very high	76 Å²	76	41.7 Å²	41.7	53%	0.531	22%	0.223	S	C	.	.			trans	-152.7	155.6	-179.5	65	0	0	0	0	112.1	L138	L138-S140 PolarHBondContact O-N 2.8Å
141	L	96.1	Very high	95.7	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.079	24%	0.235	C	C	.	.			trans	-121.1	141.2	171.1	-74.5	174.5	0	0	0	109.7	I116 I132 L138 T145 F146 L157 L162 L165	I116-L141 HydrophobicContact CB-CD2 4.36Å; I116-L141 HydrophobicContact CD1-CD2 4.07Å; I132-L141 HydrophobicContact CD1-CD1 4.3Å; I132-L141 HydrophobicContact CD1-CD2 4.48Å; L138-L141 HydrophobicContact CD2-CD2 3.83Å; L138-L141 HydrophobicContact CD2-CG 4.3Å; L138-L141 HydrophobicContact CG-CD2 4.37Å; L141-T145 HydrophobicContact CD2-CG2 4.24Å; L141-F146 HydrophobicContact CD1-CE2 4.03Å; L141-F146 HydrophobicContact CD1-CZ 3.88Å; L141-L157 HydrophobicContact CD1-CD1 4.13Å; L141-L157 HydrophobicContact CD1-CD2 3.98Å; L141-L162 HydrophobicContact CD1-CD1 4.13Å; L141-L162 HydrophobicContact CD1-CD2 4.47Å; L141-L162 HydrophobicContact CG-CD2 4.02Å; L141-L165 HydrophobicContact CB-CD1 4.08Å; L141-L165 HydrophobicContact CD1-CD1 4.21Å
142	H	95.7	Very high	95.6	Very high	80 Å²	80	42.7 Å²	42.7	37%	0.37	23%	0.231	S	C	.	.			trans	-75.1	145.9	176.9	-165.3	-92	0	0	0	110.6	P118 F144 T145	P118-H142 HydrophobicContact CB-CB 4.3Å; P118-H142 HydrophobicContact CG-CB 4.09Å; H142-F144 AromaticContact CE1-CD2 3.46Å; H142-F144 VanDerWaalsContact CE1-CD2 3.46Å; H142-F144 WeakPolarHBondContact CE1-CD2 3.21Å; H142-F144 AromaticContact ND1-CD2 3.79Å; H142-F144 PolarHBondContact ND1-N 2.92Å; H142-F144 PolarHBondContact O-N 3.18Å; H142-T145 PolarHBondContact N-OG1 3.48Å; H142-T145 VanDerWaalsContact O-CB 3.32Å; H142-T145 WeakPolarHBondContact O-CB 3.19Å; H142-T145 PolarHBondContact O-N 3.17Å; H142-T145 PolarHBondContact O-OG1 2.86Å
143	K	94.4	Very high	95.6	Very high	84 Å²	84	47.7 Å²	47.7	37%	0.365	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-15.5	179.2	64.5	179.1	176.6	-177.3	0	116.1	D166 A168 A169	K143-D166 HydrophobicContact CB-CB 4.08Å; K143-D166 WeakPolarHBondContact CB-OD2 3.36Å; K143-A168 HydrophobicContact CB-CB 3.99Å; K143-A169 WeakPolarHBondContact O-CA 3.39Å
144	F	95.6	Very high	95.6	Very high	82 Å²	82	50 Å²	50	36%	0.36	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	10.1	178.3	-56.3	-49.4	0	0	0	113	L119 H142 F146 A147	L119-F144 WeakPolarHBondContact CA-O 3.43Å; L119-F144 HydrophobicContact CD2-CB 3.86Å; L119-F144 HydrophobicContact CG-CB 4.42Å; L119-F144 PolarHBondContact N-O 3.31Å; L119-F144 VanDerWaalsContact N-O 3.11Å; H142-F144 AromaticContact CE1-CD2 3.46Å; H142-F144 VanDerWaalsContact CE1-CD2 3.46Å; H142-F144 WeakPolarHBondContact CE1-CD2 3.21Å; H142-F144 AromaticContact ND1-CD2 3.79Å; H142-F144 PolarHBondContact ND1-N 2.92Å; H142-F144 PolarHBondContact O-N 3.18Å; F144-F146 PolarHBondContact O-N 3.42Å; F144-A147 HydrophobicContact CB-CB 4.23Å; F144-A147 WeakPolarHBondContact O-CB 3.3Å; F144-A147 PolarHBondContact O-N 3.05Å
145	T	95.8	Very high	95.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-37.6	178.4	-66.8	0	0	0	0	111.7	I116 F121 L141 H142	I116-T145 HydrophobicContact CG2-CG2 3.8Å; F121-T145 HydrophobicContact CD2-CG2 3.66Å; F121-T145 HydrophobicContact CE2-CG2 3.72Å; F121-T145 PolarHBondContact N-O 3.19Å; L141-T145 HydrophobicContact CD2-CG2 4.24Å; H142-T145 PolarHBondContact N-OG1 3.48Å; H142-T145 VanDerWaalsContact O-CB 3.32Å; H142-T145 WeakPolarHBondContact O-CB 3.19Å; H142-T145 PolarHBondContact O-N 3.17Å; H142-T145 PolarHBondContact O-OG1 2.86Å
146	F	95.6	Very high	95.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	21.2	178.8	-47.8	-62	0	0	0	113.5	F121 L130 L141 F144 N148 T149 L155 L157 A169 H172 L173	F121-F146 AromaticContact CD2-CD1 3.85Å; F121-F146 HydrophobicContact CD2-CD1 3.85Å; F121-F146 AromaticContact CD2-CE1 3.84Å; F121-F146 HydrophobicContact CD2-CE1 3.84Å; F121-F146 HydrophobicContact CE2-CD1 4.49Å; F121-F146 HydrophobicContact CE2-CE1 4.03Å; L130-F146 HydrophobicContact CD2-CD1 4.13Å; L130-F146 HydrophobicContact CD2-CE1 3.62Å; L141-F146 HydrophobicContact CD1-CE2 4.03Å; L141-F146 HydrophobicContact CD1-CZ 3.88Å; F144-F146 PolarHBondContact O-N 3.42Å; F146-N148 PolarHBondContact O-N 3.4Å; F146-T149 PolarHBondContact O-N 3.03Å; F146-T149 PolarHBondContact O-OG1 3.02Å; F146-L155 HydrophobicContact CE1-CD1 4.11Å; F146-L155 HydrophobicContact CE1-CD2 4.48Å; F146-L155 HydrophobicContact CE2-CD2 4.04Å; F146-L155 HydrophobicContact CZ-CD1 4.08Å; F146-L155 HydrophobicContact CZ-CD2 3.99Å; F146-L157 HydrophobicContact CZ-CD2 4.44Å; F146-A169 HydrophobicContact CD2-CB 4.26Å; F146-H172 WeakPolarHBondContact O-CB 3.2Å; F146-L173 HydrophobicContact CB-CD1 4.42Å; F146-L173 HydrophobicContact CB-CD2 3.92Å; F146-L173 HydrophobicContact CB-CG 4.33Å; F146-L173 HydrophobicContact CD2-CD1 4.4Å; F146-L173 HydrophobicContact CG-CD1 4.44Å
147	A	93.8	Very high	95.6	Very high	13 Å²	13	43.6 Å²	43.6	11%	0.107	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	136.3	177.3	0	0	0	0	0	109.6	L119 S122 F144 T149	L119-A147 HydrophobicContact CD2-CB 3.82Å; S122-A147 WeakPolarHBondContact CA-O 3.22Å; S122-A147 WeakPolarHBondContact CB-O 3.2Å; F144-A147 HydrophobicContact CB-CB 4.23Å; F144-A147 WeakPolarHBondContact O-CB 3.3Å; F144-A147 PolarHBondContact O-N 3.05Å; A147-T149 PolarHBondContact O-N 2.88Å
148	N	91	Very high	95.7	Very high	98 Å²	98	42.5 Å²	42.5	52%	0.524	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	9	176.2	-160.6	51.8	0	0	0	116.6	S122 F146 T150	S122-N148 PolarHBondContact O-ND2 2.83Å; S122-N148 VanDerWaalsContact O-ND2 3.1Å; F146-N148 PolarHBondContact O-N 3.4Å; N148-T150 PolarHBondContact O-N 2.92Å; N148-T150 VanDerWaalsContact O-N 3.08Å
149	T	93.7	Very high	95.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.			trans	-85.2	62.2	170.1	55.5	0	0	0	0	111.2	F121 F146 A147 S151 L152 L173	F121-T149 HydrophobicContact CB-CG2 3.73Å; F121-T149 WeakPolarHBondContact O-CG2 3.11Å; F146-T149 PolarHBondContact O-N 3.03Å; F146-T149 PolarHBondContact O-OG1 3.02Å; A147-T149 PolarHBondContact O-N 2.88Å; T149-S151 VanDerWaalsContact C-N 3.27Å; T149-S151 PolarHBondContact O-N 2.95Å; T149-L152 WeakPolarHBondContact O-CB 3.44Å; T149-L152 PolarHBondContact O-N 2.56Å; T149-L173 WeakPolarHBondContact O-CD2 2.98Å; T149-L173 WeakPolarHBondContact OG1-CD2 3Å
150	T	93.1	Very high	95.9	Very high	68 Å²	68	41.4 Å²	41.4	42%	0.417	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.4	-169.2	54.8	0	0	0	0	114.7	N148 V175	N148-T150 PolarHBondContact O-N 2.92Å; N148-T150 VanDerWaalsContact O-N 3.08Å; T150-V175 WeakPolarHBondContact O-CG2 3.25Å
151	S	96.4	Very high	96	Very high	38 Å²	38	38.3 Å²	38.3	27%	0.266	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.5	178.7	-57	0	0	0	0	114	S125 L127 T149 R153	S125-S151 WeakPolarHBondContact O-CB 3.49Å; S125-S151 PolarHBondContact O-OG 3.02Å; L127-S151 CarbonylContact O-C 3.11Å; T149-S151 VanDerWaalsContact C-N 3.27Å; T149-S151 PolarHBondContact O-N 2.95Å; S151-R153 PolarHBondContact O-N 2.85Å
152	L	97.6	Very high	96	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.183	C	C	.	.			trans	-71	121.8	-171.8	-164.2	74.3	0	0	0	110.7	L127 L130 T149 L155 L173 L176	L127-L152 HydrophobicContact CB-CD1 4.31Å; L127-L152 HydrophobicContact CD2-CD1 3.97Å; L127-L152 HydrophobicContact CG-CD1 3.86Å; L127-L152 WeakPolarHBondContact O-CA 3.48Å; L127-L152 PolarHBondContact O-N 2.9Å; L130-L152 HydrophobicContact CB-CD1 3.77Å; L130-L152 HydrophobicContact CB-CD2 4.47Å; T149-L152 WeakPolarHBondContact O-CB 3.44Å; T149-L152 PolarHBondContact O-N 2.56Å; L152-L155 HydrophobicContact CD2-CB 4.22Å; L152-L155 HydrophobicContact CD2-CD1 4.37Å; L152-L173 HydrophobicContact CB-CD2 3.97Å; L152-L173 HydrophobicContact CD2-CD1 4.1Å; L152-L173 HydrophobicContact CD2-CD2 3.8Å; L152-L176 HydrophobicContact CD2-CD1 4.46Å; L152-L176 HydrophobicContact CG-CD1 4.39Å; L152-L176 WeakPolarHBondContact O-CA 3.35Å; L152-L176 PolarHBondContact O-N 3.45Å
153	R	97.3	Very high	96	Very high	106 Å²	106	36.8 Å²	36.8	40%	0.4	18%	0.179	S	C	.	.			trans	-110.9	-30.8	-179.5	-63.9	-178.8	-173	-92.5	-7.5	112.7	V128 S151 V175 E177 T178	V128-R153 HydrophobicContact CG1-CB 4.09Å; V128-R153 HydrophobicContact CG1-CG 4.18Å; V128-R153 PolarHBondContact O-N 2.96Å; S151-R153 PolarHBondContact O-N 2.85Å; R153-V175 HydrophobicContact CG-CG2 4.33Å; R153-E177 IonicContact CZ-OE1 3.77Å; R153-E177 IonicContact NH1-OE1 2.65Å; R153-E177 PolarHBondContact NH1-OE1 3.1Å; R153-E177 PolarHBondContact O-N 3.21Å; R153-T178 PolarHBondContact O-N 3.3Å
154	Y	97.9	Very high	96	Very high	52 Å²	52	35.2 Å²	35.2	20%	0.204	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.8	-179.2	-178	-74.8	0	0	0	110.2	V128 Q129 L130 D156 T178 F180	V128-Y154 PolarHBondContact O-N 3.5Å; Q129-Y154 HydrophobicContact CG-CD1 3.6Å; Q129-Y154 HydrophobicContact CG-CE1 4.32Å; Q129-Y154 HydrophobicContact CG-CG 3.97Å; L130-Y154 PolarHBondContact N-O 2.99Å; Y154-D156 HydrophobicContact CD1-CB 4.45Å; Y154-D156 HydrophobicContact CE1-CB 3.56Å; Y154-D156 PolarHBondContact OH-OD2 2.86Å; Y154-T178 WeakPolarHBondContact CA-O 3.44Å; Y154-T178 HydrophobicContact CD2-CG2 3.7Å; Y154-T178 HydrophobicContact CE2-CG2 3.87Å; Y154-F180 HydrophobicContact CD2-CE2 4.47Å; Y154-F180 HydrophobicContact CE2-CD2 4.22Å; Y154-F180 AromaticContact CE2-CE2 3.57Å; Y154-F180 HydrophobicContact CE2-CE2 3.57Å; Y154-F180 AromaticContact CZ-CD2 3.97Å; Y154-F180 AromaticContact CZ-CE2 3.69Å; Y154-F180 WeakPolarHBondContact OH-CE2 3.5Å
155	L	97.9	Very high	95.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.6	174.3	-179.6	59.5	0	0	0	110.6	L130 F146 L152 L157 L170 L173 L176 T178 L179 F180	L130-L155 HydrophobicContact CB-CD1 4.15Å; L130-L155 HydrophobicContact CD2-CD1 4Å; L130-L155 HydrophobicContact CG-CD1 4.09Å; L130-L155 WeakPolarHBondContact O-CA 3.36Å; F146-L155 HydrophobicContact CE1-CD1 4.11Å; F146-L155 HydrophobicContact CE1-CD2 4.48Å; F146-L155 HydrophobicContact CE2-CD2 4.04Å; F146-L155 HydrophobicContact CZ-CD1 4.08Å; F146-L155 HydrophobicContact CZ-CD2 3.99Å; L152-L155 HydrophobicContact CD2-CB 4.22Å; L152-L155 HydrophobicContact CD2-CD1 4.37Å; L155-L157 HydrophobicContact CD1-CD2 3.86Å; L155-L157 HydrophobicContact CD1-CG 4.31Å; L155-L157 HydrophobicContact CD2-CD1 4.18Å; L155-L157 HydrophobicContact CD2-CD2 4.45Å; L155-L157 HydrophobicContact CD2-CG 4.29Å; L155-L157 HydrophobicContact CG-CD1 4.43Å; L155-L157 HydrophobicContact CG-CD2 4.11Å; L155-L157 HydrophobicContact CG-CG 4Å; L155-L170 HydrophobicContact CD2-CD2 4.06Å; L155-L173 HydrophobicContact CD2-CD1 3.92Å; L155-L176 HydrophobicContact CB-CD1 3.83Å; L155-T178 PolarHBondContact N-O 3.33Å; L155-L179 HydrophobicContact CB-CD1 4.19Å; L155-L179 HydrophobicContact CD2-CD1 4.07Å; L155-L179 HydrophobicContact CG-CD1 4.16Å; L155-L179 WeakPolarHBondContact O-CA 3.47Å; L155-F180 PolarHBondContact O-N 3.33Å
156	D	98.2	Very high	95.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	111.8	178.5	-168.7	-11.1	0	0	0	111.3	L130 I132 A133 Y154 R158 F180	L130-D156 PolarHBondContact O-N 2.88Å; L130-D156 VanDerWaalsContact O-N 3.12Å; I132-D156 WeakPolarHBondContact CG1-O 3.39Å; I132-D156 PolarHBondContact N-O 3.04Å; A133-D156 HydrophobicContact CB-CB 4.49Å; A133-D156 WeakPolarHBondContact CB-OD1 3.47Å; A133-D156 PolarHBondContact N-O 2.01Å; Y154-D156 HydrophobicContact CD1-CB 4.45Å; Y154-D156 HydrophobicContact CE1-CB 3.56Å; Y154-D156 PolarHBondContact OH-OD2 2.86Å; D156-R158 WeakPolarHBondContact OD1-CB 3.42Å; D156-R158 VanDerWaalsContact OD1-CG 3.24Å; D156-R158 WeakPolarHBondContact OD1-CG 3.2Å; D156-R158 IonicContact OD1-CZ 3.81Å; D156-R158 PolarHBondContact OD1-N 3.05Å; D156-R158 VanDerWaalsContact OD1-N 3.12Å; D156-R158 IonicContact OD1-NE 2.89Å; D156-R158 PolarHBondContact OD1-NE 2.85Å; D156-R158 IonicContact OD1-NH2 3.89Å; D156-R158 IonicContact OD2-CZ 3.32Å; D156-R158 VanDerWaalsContact OD2-CZ 3.32Å; D156-R158 IonicContact OD2-NE 3.19Å; D156-R158 PolarHBondContact OD2-NE 3.26Å; D156-R158 IonicContact OD2-NH2 2.66Å; D156-R158 PolarHBondContact OD2-NH2 3.33Å; D156-F180 HydrophobicContact CB-CB 4.48Å; D156-F180 HydrophobicContact CB-CD2 4.25Å
157	L	97.5	Very high	95.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.			trans	-112.8	16.1	-179.5	-55.4	-178	0	0	0	111.9	I132 L141 F146 L155 T160 L162 L165 F180 L181 N184	I132-L157 HydrophobicContact CD1-CD2 3.24Å; I132-L157 HydrophobicContact CG1-CD2 3.38Å; L141-L157 HydrophobicContact CD1-CD1 4.13Å; L141-L157 HydrophobicContact CD1-CD2 3.98Å; F146-L157 HydrophobicContact CZ-CD2 4.44Å; L155-L157 HydrophobicContact CD1-CD2 3.86Å; L155-L157 HydrophobicContact CD1-CG 4.31Å; L155-L157 HydrophobicContact CD2-CD1 4.18Å; L155-L157 HydrophobicContact CD2-CD2 4.45Å; L155-L157 HydrophobicContact CD2-CG 4.29Å; L155-L157 HydrophobicContact CG-CD1 4.43Å; L155-L157 HydrophobicContact CG-CD2 4.11Å; L155-L157 HydrophobicContact CG-CG 4Å; L157-T160 VanDerWaalsContact O-CG2 3.3Å; L157-T160 WeakPolarHBondContact O-CG2 3.42Å; L157-T160 PolarHBondContact O-OG1 3.35Å; L157-L162 HydrophobicContact CB-CD1 4.17Å; L157-L162 HydrophobicContact CD1-CD1 4.17Å; L157-L165 HydrophobicContact CD1-CD2 4.05Å; L157-F180 WeakPolarHBondContact CB-O 3.46Å; L157-F180 PolarHBondContact N-O 2.97Å; L157-L181 HydrophobicContact CB-CD2 4.15Å; L157-L181 HydrophobicContact CD1-CD2 3.82Å; L157-L181 HydrophobicContact CG-CD2 4.4Å; L157-N184 PolarHBondContact O-ND2 3.26Å
158	R	97.6	Very high	95.5	Very high	83 Å²	83	37.1 Å²	37.1	31%	0.313	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	144.5	-175.4	-69.1	177.3	-69.3	174.6	-0	112.3	A133 N134 D156 T160 F180 S182 D208	A133-R158 CarbonylContact C-O 3.24Å; A133-R158 WeakPolarHBondContact CA-O 3.24Å; A133-R158 HydrophobicContact CB-CB 4.19Å; A133-R158 WeakPolarHBondContact CB-O 3.44Å; N134-R158 PolarHBondContact N-O 3.39Å; D156-R158 WeakPolarHBondContact OD1-CB 3.42Å; D156-R158 VanDerWaalsContact OD1-CG 3.24Å; D156-R158 WeakPolarHBondContact OD1-CG 3.2Å; D156-R158 IonicContact OD1-CZ 3.81Å; D156-R158 PolarHBondContact OD1-N 3.05Å; D156-R158 VanDerWaalsContact OD1-N 3.12Å; D156-R158 IonicContact OD1-NE 2.89Å; D156-R158 PolarHBondContact OD1-NE 2.85Å; D156-R158 IonicContact OD1-NH2 3.89Å; D156-R158 IonicContact OD2-CZ 3.32Å; D156-R158 VanDerWaalsContact OD2-CZ 3.32Å; D156-R158 IonicContact OD2-NE 3.19Å; D156-R158 PolarHBondContact OD2-NE 3.26Å; D156-R158 IonicContact OD2-NH2 2.66Å; D156-R158 PolarHBondContact OD2-NH2 3.33Å; R158-T160 PolarHBondContact O-N 2.66Å; R158-F180 HydrophobicContact CG-CB 3.55Å; R158-F180 HydrophobicContact CG-CG 4.5Å; R158-S182 WeakPolarHBondContact CA-O 3.33Å; R158-S182 WeakPolarHBondContact CD-OG 3.19Å; R158-S182 WeakPolarHBondContact CG-OG 3.47Å; R158-D208 WeakPolarHBondContact CD-OD2 3.49Å; R158-D208 WeakPolarHBondContact CG-OD2 3.41Å
159	N	97.2	Very high	95.6	Very high	72 Å²	72	32.5 Å²	32.5	39%	0.385	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	41.5	174.4	-54.7	-43.2	0	0	0	113.4	N134 N135 S182 G183	N134-N159 CarbonylContact C-O 3.56Å; N134-N159 WeakPolarHBondContact CA-O 3.46Å; N134-N159 WeakPolarHBondContact OD1-CB 3.5Å; N134-N159 PolarHBondContact OD1-ND2 3.12Å; N135-N159 CarbonylContact C-O 3.22Å; N135-N159 PolarHBondContact N-O 3.23Å; N135-N159 VanDerWaalsContact N-O 3.11Å; N159-S182 PolarHBondContact N-O 3.48Å; N159-G183 WeakPolarHBondContact CA-O 3.49Å; N159-G183 WeakPolarHBondContact OD1-CA 3.47Å; N159-G183 PolarHBondContact OD1-O 3.28Å
160	T	97.7	Very high	95.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-99.3	-1.2	178.8	50.2	0	0	0	0	113	I132 N135 L138 L139 L157 R158 L162 N184	I132-T160 HydrophobicContact CG1-CG2 4.45Å; I132-T160 VanDerWaalsContact O-CG2 3.22Å; I132-T160 WeakPolarHBondContact O-CG2 3.46Å; N135-T160 HydrophobicContact CB-CG2 4.42Å; N135-T160 CarbonylContact O-C 3.53Å; N135-T160 VanDerWaalsContact O-C 3.24Å; N135-T160 WeakPolarHBondContact O-CA 3.36Å; L138-T160 WeakPolarHBondContact CB-O 3.48Å; L138-T160 HydrophobicContact CD2-CG2 4.5Å; L138-T160 PolarHBondContact N-O 3.13Å; L139-T160 PolarHBondContact N-O 2.75Å; L157-T160 VanDerWaalsContact O-CG2 3.3Å; L157-T160 WeakPolarHBondContact O-CG2 3.42Å; L157-T160 PolarHBondContact O-OG1 3.35Å; R158-T160 PolarHBondContact O-N 2.66Å; T160-L162 PolarHBondContact O-N 3.26Å; T160-L162 WeakPolarHBondContact OG1-CD1 3.48Å; T160-L162 WeakPolarHBondContact OG1-CG 3.3Å; T160-N184 WeakPolarHBondContact CA-OD1 3.46Å; T160-N184 PolarHBondContact N-OD1 3.49Å; T160-N184 PolarHBondContact OG1-OD1 3.39Å
161	G	96.3	Very high	95.2	Very high	11 Å²	11	35.8 Å²	35.8	11%	0.113	18%	0.181	C	C	.	.			trans	71.2	14.7	-177.5	0	0	0	0	0	113.2	L139 Q163 N184	L139-G161 WeakPolarHBondContact CA-O 3.48Å; G161-Q163 PolarHBondContact O-N 2.84Å; G161-N184 PolarHBondContact N-OD1 3.33Å
162	L	96.6	Very high	94.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.			trans	-62.2	129.5	179.3	-69.2	171	0	0	0	110.6	L139 L141 L157 T160 N184 P185 W186	L139-L162 WeakPolarHBondContact O-CA 3.49Å; L141-L162 HydrophobicContact CD1-CD1 4.13Å; L141-L162 HydrophobicContact CD1-CD2 4.47Å; L141-L162 HydrophobicContact CG-CD2 4.02Å; L157-L162 HydrophobicContact CB-CD1 4.17Å; L157-L162 HydrophobicContact CD1-CD1 4.17Å; T160-L162 PolarHBondContact O-N 3.26Å; T160-L162 WeakPolarHBondContact OG1-CD1 3.48Å; T160-L162 WeakPolarHBondContact OG1-CG 3.3Å; L162-N184 HydrophobicContact CB-CB 4.31Å; L162-N184 PolarHBondContact N-OD1 2.71Å; L162-N184 VanDerWaalsContact N-OD1 3.11Å; L162-N184 WeakPolarHBondContact O-CB 3.48Å; L162-P185 VanDerWaalsContact O-CD 3.27Å; L162-P185 WeakPolarHBondContact O-CD 3.45Å; L162-W186 HydrophobicContact CB-CH2 3.76Å; L162-W186 HydrophobicContact CB-CZ2 4.5Å; L162-W186 HydrophobicContact CB-CZ3 3.86Å; L162-W186 HydrophobicContact CD1-CH2 4.08Å
163	Q	95.3	Very high	94.3	Very high	64 Å²	64	36.8 Å²	36.8	30%	0.299	18%	0.181	S	C	.	.	S	Bend	trans	-96.2	-33	175.2	-68.2	175.9	30.1	0	0	111.5	L139 G161 P185 W186 K187	L139-Q163 PolarHBondContact O-N 2.79Å; G161-Q163 PolarHBondContact O-N 2.84Å; Q163-P185 WeakPolarHBondContact CA-O 3.33Å; Q163-P185 HydrophobicContact CG-CG 4.06Å; Q163-W186 WeakPolarHBondContact O-CA 3.44Å; Q163-K187 HydrophobicContact CB-CD 4.12Å; Q163-K187 HydrophobicContact CB-CG 4.07Å; Q163-K187 HydrophobicContact CG-CD 4.39Å; Q163-K187 HydrophobicContact CG-CG 4.45Å; Q163-K187 PolarHBondContact O-N 3.35Å
164	T	93.8	Very high	93.9	Very high	51 Å²	51	36.5 Å²	36.5	31%	0.313	19%	0.193	S	C	.	.			trans	-144.1	160.6	178	60.6	0	0	0	0	109.4	K187	T164-K187 HydrophobicContact CG2-CB 4.39Å
165	L	94.1	Very high	93.7	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	20%	0.199	C	C	.	.			trans	-138.6	128.7	172.1	-174.8	59.5	0	0	0	108.1	L141 L157 A169 L170 L181 W186 F195	L141-L165 HydrophobicContact CB-CD1 4.08Å; L141-L165 HydrophobicContact CD1-CD1 4.21Å; L157-L165 HydrophobicContact CD1-CD2 4.05Å; L165-A169 HydrophobicContact CD1-CB 4.16Å; L165-L170 HydrophobicContact CD2-CD1 4.14Å; L165-L170 HydrophobicContact CD2-CD2 4.32Å; L165-L170 HydrophobicContact CD2-CG 4.17Å; L165-L181 HydrophobicContact CD2-CD2 4.29Å; L165-W186 HydrophobicContact CB-CH2 4.24Å; L165-W186 HydrophobicContact CB-CZ3 3.98Å; L165-F195 HydrophobicContact CB-CD2 4.15Å; L165-F195 HydrophobicContact CB-CE2 3.9Å; L165-F195 HydrophobicContact CB-CZ 4.15Å; L165-F195 HydrophobicContact CD2-CE2 3.6Å; L165-F195 HydrophobicContact CD2-CZ 3.83Å; L165-F195 HydrophobicContact CG-CD2 4.29Å; L165-F195 HydrophobicContact CG-CE2 3.81Å; L165-F195 HydrophobicContact CG-CZ 4.34Å; L165-F195 WeakPolarHBondContact O-CB 3Å; L165-F195 VanDerWaalsContact O-CD2 3.31Å; L165-F195 WeakPolarHBondContact O-CD2 3.15Å; L165-F195 WeakPolarHBondContact O-CG 3.48Å
166	D	93.3	Very high	93.5	Very high	69 Å²	69	37.6 Å²	37.6	37%	0.369	20%	0.204	S	C	.	.			trans	-73.3	130.5	177.4	-168.6	-31.5	0	0	0	109.5	K143 A168 A169	K143-D166 HydrophobicContact CB-CB 4.08Å; K143-D166 WeakPolarHBondContact CB-OD2 3.36Å; D166-A168 PolarHBondContact O-N 3.1Å; D166-A168 WeakPolarHBondContact OD1-CB 3.31Å; D166-A168 PolarHBondContact OD1-N 3.26Å; D166-A169 VanDerWaalsContact O-CB 3.23Å; D166-A169 WeakPolarHBondContact O-CB 3.48Å; D166-A169 PolarHBondContact O-N 3.4Å
167	S	92	Very high	93.3	Very high	31 Å²	31	43.8 Å²	43.8	22%	0.217	23%	0.233	C	C	.	.	H	α-helix	trans	-54.3	-33.3	175.2	65.5	0	0	0	0	112.6	A169 L170 H171	S167-A169 PolarHBondContact O-N 3.11Å; S167-L170 PolarHBondContact O-N 3.49Å; S167-H171 PolarHBondContact O-N 3.16Å
168	A	91.3	Very high	93.2	Very high	29 Å²	29	45.6 Å²	45.6	24%	0.24	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-24.3	177.4	0	0	0	0	0	112.7	K143 D166 H172	K143-A168 HydrophobicContact CB-CB 3.99Å; D166-A168 PolarHBondContact O-N 3.1Å; D166-A168 WeakPolarHBondContact OD1-CB 3.31Å; D166-A168 PolarHBondContact OD1-N 3.26Å; A168-H172 PolarHBondContact O-CE1 2.73Å; A168-H172 PolarHBondContact O-ND1 2.95Å
169	A	91.8	Very high	93.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-42.1	175.1	0	0	0	0	0	111.7	K143 F146 L165 D166 S167	K143-A169 WeakPolarHBondContact O-CA 3.39Å; F146-A169 HydrophobicContact CD2-CB 4.26Å; L165-A169 HydrophobicContact CD1-CB 4.16Å; D166-A169 VanDerWaalsContact O-CB 3.23Å; D166-A169 WeakPolarHBondContact O-CB 3.48Å; D166-A169 PolarHBondContact O-N 3.4Å; S167-A169 PolarHBondContact O-N 3.11Å
170	L	91.4	Very high	93.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-86.5	-21.8	-178.6	-62	-172.3	0	0	0	113.2	L155 L165 S167 H172 L173 L179 F195 F198 L199 M204	L155-L170 HydrophobicContact CD2-CD2 4.06Å; L165-L170 HydrophobicContact CD2-CD1 4.14Å; L165-L170 HydrophobicContact CD2-CD2 4.32Å; L165-L170 HydrophobicContact CD2-CG 4.17Å; S167-L170 PolarHBondContact O-N 3.49Å; L170-H172 PolarHBondContact O-N 3.48Å; L170-H172 VanDerWaalsContact O-N 3.1Å; L170-L173 HydrophobicContact CD2-CD1 3.79Å; L170-L173 WeakPolarHBondContact O-CB 3.36Å; L170-L173 PolarHBondContact O-N 3.13Å; L170-L179 HydrophobicContact CD1-CD2 3.84Å; L170-F195 HydrophobicContact CD1-CE2 3.58Å; L170-F195 HydrophobicContact CD1-CZ 4.17Å; L170-F195 HydrophobicContact CG-CE2 4.34Å; L170-F198 HydrophobicContact CB-CE1 3.6Å; L170-F198 HydrophobicContact CB-CZ 4.05Å; L170-F198 HydrophobicContact CD1-CE1 4.25Å; L170-L199 HydrophobicContact CD1-CD2 4.31Å; L170-M204 HydrophobicContact CB-CE 3.86Å; L170-M204 HydrophobicContact CD1-CE 3.97Å; L170-M204 HydrophobicContact CG-CE 4.46Å
171	H	88.9	Confident	93	Very high	136 Å²	136	40.3 Å²	40.3	63%	0.63	22%	0.221	S	C	*	.	H	α-helix	trans	-56.5	-26.4	174.7	-175.2	-83.2	0	0	0	113	S167 L173 F198	S167-H171 PolarHBondContact O-N 3.16Å; H171-L173 PolarHBondContact O-N 3.48Å; H171-F198 HydrophobicContact CB-CE2 4.42Å
172	H	83.6	Confident	93	Very high	57 Å²	57	40.5 Å²	40.5	26%	0.264	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	2.7	177	-60.9	97.8	0	0	0	114.1	F146 A168 L170 P174	F146-H172 WeakPolarHBondContact O-CB 3.2Å; A168-H172 PolarHBondContact O-CE1 2.73Å; A168-H172 PolarHBondContact O-ND1 2.95Å; L170-H172 PolarHBondContact O-N 3.48Å; L170-H172 VanDerWaalsContact O-N 3.1Å; H172-P174 VanDerWaalsContact C-CD 3.44Å; H172-P174 WeakPolarHBondContact O-CD 3.46Å
173	L	91.6	Very high	93	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	24%	0.241	C	C	.	.			trans	-117.8	69.4	-173.9	-54.4	179.7	0	0	0	111.6	F146 T149 L152 L155 L170 H171 V175 L176	F146-L173 HydrophobicContact CB-CD1 4.42Å; F146-L173 HydrophobicContact CB-CD2 3.92Å; F146-L173 HydrophobicContact CB-CG 4.33Å; F146-L173 HydrophobicContact CD2-CD1 4.4Å; F146-L173 HydrophobicContact CG-CD1 4.44Å; T149-L173 WeakPolarHBondContact O-CD2 2.98Å; T149-L173 WeakPolarHBondContact OG1-CD2 3Å; L152-L173 HydrophobicContact CB-CD2 3.97Å; L152-L173 HydrophobicContact CD2-CD1 4.1Å; L152-L173 HydrophobicContact CD2-CD2 3.8Å; L155-L173 HydrophobicContact CD2-CD1 3.92Å; L170-L173 HydrophobicContact CD2-CD1 3.79Å; L170-L173 WeakPolarHBondContact O-CB 3.36Å; L170-L173 PolarHBondContact O-N 3.13Å; H171-L173 PolarHBondContact O-N 3.48Å; L173-V175 VanDerWaalsContact C-N 3.27Å; L173-V175 PolarHBondContact O-N 3.08Å; L173-L176 HydrophobicContact CB-CB 4.03Å; L173-L176 HydrophobicContact CB-CD2 4.49Å; L173-L176 HydrophobicContact CD1-CD1 4.37Å; L173-L176 HydrophobicContact CD1-CD2 4.07Å; L173-L176 PolarHBondContact O-N 2.97Å
174	P	87.6	Confident	93.1	Very high	99 Å²	99	40 Å²	40	64%	0.643	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-18.4	-170.4	29.3	-36.9	0	0	0	114.6	H172	H172-P174 VanDerWaalsContact C-CD 3.44Å; H172-P174 WeakPolarHBondContact O-CD 3.46Å
175	V	93.8	Very high	93.2	Very high	54 Å²	54	39.9 Å²	39.9	33%	0.327	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	16.6	-177.4	-57.8	0	0	0	0	112.4	T150 R153 L173 E177	T150-V175 WeakPolarHBondContact O-CG2 3.25Å; R153-V175 HydrophobicContact CG-CG2 4.33Å; L173-V175 VanDerWaalsContact C-N 3.27Å; L173-V175 PolarHBondContact O-N 3.08Å; V175-E177 PolarHBondContact O-N 3.35Å
176	L	94.4	Very high	93.3	Very high	22 Å²	22	39.6 Å²	39.6	12%	0.115	23%	0.228	C	C	.	.			trans	-65	123	180	-165.7	71.1	0	0	0	109.7	L152 L155 L173 L179 M204	L152-L176 HydrophobicContact CD2-CD1 4.46Å; L152-L176 HydrophobicContact CG-CD1 4.39Å; L152-L176 WeakPolarHBondContact O-CA 3.35Å; L152-L176 PolarHBondContact O-N 3.45Å; L155-L176 HydrophobicContact CB-CD1 3.83Å; L173-L176 HydrophobicContact CB-CB 4.03Å; L173-L176 HydrophobicContact CB-CD2 4.49Å; L173-L176 HydrophobicContact CD1-CD1 4.37Å; L173-L176 HydrophobicContact CD1-CD2 4.07Å; L173-L176 PolarHBondContact O-N 2.97Å; L176-L179 HydrophobicContact CD2-CB 4.03Å; L176-L179 HydrophobicContact CD2-CD1 4.29Å; L176-L179 HydrophobicContact CD2-CD2 4.38Å; L176-L179 HydrophobicContact CD2-CG 4.46Å; L176-M204 HydrophobicContact CB-SD 4.2Å; L176-M204 HydrophobicContact CD2-CE 4.15Å; L176-M204 HydrophobicContact CD2-SD 4.14Å
177	E	93.1	Very high	93.4	Very high	130 Å²	130	39 Å²	39	61%	0.607	22%	0.223	S	C	*	.			trans	-106.2	-32.4	-178	-71.6	171.8	-168.2	0	0	111.6	R153 V175	R153-E177 IonicContact CZ-OE1 3.77Å; R153-E177 IonicContact NH1-OE1 2.65Å; R153-E177 PolarHBondContact NH1-OE1 3.1Å; R153-E177 PolarHBondContact O-N 3.21Å; V175-E177 PolarHBondContact O-N 3.35Å
178	T	95.5	Very high	93.6	Very high	39 Å²	39	37.6 Å²	37.6	24%	0.239	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	119.1	-173.6	-55.5	0	0	0	0	109.6	R153 Y154 L155 F180	R153-T178 PolarHBondContact O-N 3.3Å; Y154-T178 WeakPolarHBondContact CA-O 3.44Å; Y154-T178 HydrophobicContact CD2-CG2 3.7Å; Y154-T178 HydrophobicContact CE2-CG2 3.87Å; L155-T178 PolarHBondContact N-O 3.33Å; T178-F180 HydrophobicContact CG2-CD2 3.95Å; T178-F180 HydrophobicContact CG2-CE2 3.29Å; T178-F180 HydrophobicContact CG2-CZ 3.84Å
179	L	96	Very high	93.6	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.9	178.9	177.1	60.3	0	0	0	109.3	L155 L170 L176 L181 P206 S207	L155-L179 HydrophobicContact CB-CD1 4.19Å; L155-L179 HydrophobicContact CD2-CD1 4.07Å; L155-L179 HydrophobicContact CG-CD1 4.16Å; L155-L179 WeakPolarHBondContact O-CA 3.47Å; L170-L179 HydrophobicContact CD1-CD2 3.84Å; L176-L179 HydrophobicContact CD2-CB 4.03Å; L176-L179 HydrophobicContact CD2-CD1 4.29Å; L176-L179 HydrophobicContact CD2-CD2 4.38Å; L176-L179 HydrophobicContact CD2-CG 4.46Å; L179-L181 HydrophobicContact CD1-CD2 4.02Å; L179-L181 HydrophobicContact CD1-CG 4.2Å; L179-L181 HydrophobicContact CD2-CD1 3.91Å; L179-L181 HydrophobicContact CD2-CG 4.19Å; L179-L181 HydrophobicContact CG-CD1 4.22Å; L179-L181 HydrophobicContact CG-CD2 4.31Å; L179-L181 HydrophobicContact CG-CG 3.95Å; L179-P206 CarbonylContact O-C 3.28Å; L179-P206 WeakPolarHBondContact O-CA 3.23Å; L179-S207 PolarHBondContact O-N 3.04Å
180	F	97.3	Very high	93.5	Very high	38 Å²	38	42.9 Å²	42.9	17%	0.167	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.8	173.3	-63.8	-83.5	0	0	0	111.6	Y154 L155 D156 L157 R158 T178 D208	Y154-F180 HydrophobicContact CD2-CE2 4.47Å; Y154-F180 HydrophobicContact CE2-CD2 4.22Å; Y154-F180 AromaticContact CE2-CE2 3.57Å; Y154-F180 HydrophobicContact CE2-CE2 3.57Å; Y154-F180 AromaticContact CZ-CD2 3.97Å; Y154-F180 AromaticContact CZ-CE2 3.69Å; Y154-F180 WeakPolarHBondContact OH-CE2 3.5Å; L155-F180 PolarHBondContact O-N 3.33Å; D156-F180 HydrophobicContact CB-CB 4.48Å; D156-F180 HydrophobicContact CB-CD2 4.25Å; L157-F180 WeakPolarHBondContact CB-O 3.46Å; L157-F180 PolarHBondContact N-O 2.97Å; R158-F180 HydrophobicContact CG-CB 3.55Å; R158-F180 HydrophobicContact CG-CG 4.5Å; T178-F180 HydrophobicContact CG2-CD2 3.95Å; T178-F180 HydrophobicContact CG2-CE2 3.29Å; T178-F180 HydrophobicContact CG2-CZ 3.84Å; F180-D208 WeakPolarHBondContact CA-OD1 3.33Å; F180-D208 WeakPolarHBondContact CB-OD2 3.32Å; F180-D208 HydrophobicContact CD1-CB 3.89Å
181	L	96.3	Very high	93.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.268	C	S	.	.			trans	-128.9	-2.6	-173.7	-67.9	178.6	0	0	0	113.9	L157 L165 L179 N184 W186 F195 P206 D208 A212 I225	L157-L181 HydrophobicContact CB-CD2 4.15Å; L157-L181 HydrophobicContact CD1-CD2 3.82Å; L157-L181 HydrophobicContact CG-CD2 4.4Å; L165-L181 HydrophobicContact CD2-CD2 4.29Å; L179-L181 HydrophobicContact CD1-CD2 4.02Å; L179-L181 HydrophobicContact CD1-CG 4.2Å; L179-L181 HydrophobicContact CD2-CD1 3.91Å; L179-L181 HydrophobicContact CD2-CG 4.19Å; L179-L181 HydrophobicContact CG-CD1 4.22Å; L179-L181 HydrophobicContact CG-CD2 4.31Å; L179-L181 HydrophobicContact CG-CG 3.95Å; L181-N184 PolarHBondContact O-ND2 2.65Å; L181-W186 HydrophobicContact CB-CZ2 3.84Å; L181-W186 HydrophobicContact CD2-CH2 4.09Å; L181-W186 HydrophobicContact CD2-CZ2 3.84Å; L181-W186 HydrophobicContact CG-CZ2 4.29Å; L181-W186 WeakPolarHBondContact O-CZ2 3.48Å; L181-W186 PolarHBondContact O-NE1 3.35Å; L181-F195 HydrophobicContact CD1-CE1 4.43Å; L181-F195 HydrophobicContact CD1-CZ 3.97Å; L181-P206 HydrophobicContact CD1-CB 4.35Å; L181-P206 HydrophobicContact CD1-CG 3.88Å; L181-D208 PolarHBondContact N-OD1 3.32Å; L181-D208 PolarHBondContact N-OD2 2.88Å; L181-A212 HydrophobicContact CB-CB 4.09Å; L181-I225 HydrophobicContact CB-CD1 4.11Å; L181-I225 HydrophobicContact CD1-CD1 3.5Å; L181-I225 HydrophobicContact CG-CD1 4.46Å
182	S	96.1	Very high	93.6	Very high	15 Å²	15	40.2 Å²	40.2	11%	0.105	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	158.2	-175.6	60	0	0	0	0	114.1	R158 N159 N184 D208	R158-S182 WeakPolarHBondContact CA-O 3.33Å; R158-S182 WeakPolarHBondContact CD-OG 3.19Å; R158-S182 WeakPolarHBondContact CG-OG 3.47Å; N159-S182 PolarHBondContact N-O 3.48Å; S182-N184 VanDerWaalsContact C-N 3.28Å; S182-N184 PolarHBondContact O-N 3.44Å; S182-D208 WeakPolarHBondContact CA-OD2 3.4Å; S182-D208 WeakPolarHBondContact CB-OD2 3.29Å; S182-D208 PolarHBondContact N-OD2 3.25Å; S182-D208 PolarHBondContact OG-OD2 2.94Å
183	G	95.6	Very high	94	Very high	43 Å²	43	38 Å²	38	44%	0.443	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	21.9	176.9	0	0	0	0	0	114.6	N159	N159-G183 WeakPolarHBondContact CA-O 3.49Å; N159-G183 WeakPolarHBondContact OD1-CA 3.47Å; N159-G183 PolarHBondContact OD1-O 3.28Å
184	N	97.2	Very high	94	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.048	25%	0.254	C	S	.	.	S	Bend	trans	-108.8	141.4	173.6	-73.3	-58.3	0	0	0	110.5	L157 T160 G161 L162 L181 S182 W186	L157-N184 PolarHBondContact O-ND2 3.26Å; T160-N184 WeakPolarHBondContact CA-OD1 3.46Å; T160-N184 PolarHBondContact N-OD1 3.49Å; T160-N184 PolarHBondContact OG1-OD1 3.39Å; G161-N184 PolarHBondContact N-OD1 3.33Å; L162-N184 HydrophobicContact CB-CB 4.31Å; L162-N184 PolarHBondContact N-OD1 2.71Å; L162-N184 VanDerWaalsContact N-OD1 3.11Å; L162-N184 WeakPolarHBondContact O-CB 3.48Å; L181-N184 PolarHBondContact O-ND2 2.65Å; S182-N184 VanDerWaalsContact C-N 3.28Å; S182-N184 PolarHBondContact O-N 3.44Å; N184-W186 HydrophobicContact CB-CD2 4.06Å; N184-W186 VanDerWaalsContact CB-CE2 3.48Å; N184-W186 HydrophobicContact CB-CG 4.43Å; N184-W186 HydrophobicContact CB-CH2 4.36Å; N184-W186 HydrophobicContact CB-CZ2 3.64Å; N184-W186 PolarHBondContact O-N 3.17Å
185	P	96.4	Very high	94.3	Very high	49 Å²	49	38.2 Å²	38.2	32%	0.318	22%	0.224	S	C	.	.			trans	-77.5	65.9	179.5	33.7	-37.4	0	0	0	112	L162 Q163 K187 V215	L162-P185 VanDerWaalsContact O-CD 3.27Å; L162-P185 WeakPolarHBondContact O-CD 3.45Å; Q163-P185 WeakPolarHBondContact CA-O 3.33Å; Q163-P185 HydrophobicContact CG-CG 4.06Å; P185-K187 PolarHBondContact O-N 3.05Å; P185-V215 HydrophobicContact CB-CG2 4.38Å
186	W	96.1	Very high	94.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	122.5	-174.7	-63	114.7	0	0	0	112.4	L162 Q163 L165 L181 N184 C188 F192 V215 E216 I225	L162-W186 HydrophobicContact CB-CH2 3.76Å; L162-W186 HydrophobicContact CB-CZ2 4.5Å; L162-W186 HydrophobicContact CB-CZ3 3.86Å; L162-W186 HydrophobicContact CD1-CH2 4.08Å; Q163-W186 WeakPolarHBondContact O-CA 3.44Å; L165-W186 HydrophobicContact CB-CH2 4.24Å; L165-W186 HydrophobicContact CB-CZ3 3.98Å; L181-W186 HydrophobicContact CB-CZ2 3.84Å; L181-W186 HydrophobicContact CD2-CH2 4.09Å; L181-W186 HydrophobicContact CD2-CZ2 3.84Å; L181-W186 HydrophobicContact CG-CZ2 4.29Å; L181-W186 WeakPolarHBondContact O-CZ2 3.48Å; L181-W186 PolarHBondContact O-NE1 3.35Å; N184-W186 HydrophobicContact CB-CD2 4.06Å; N184-W186 VanDerWaalsContact CB-CE2 3.48Å; N184-W186 HydrophobicContact CB-CG 4.43Å; N184-W186 HydrophobicContact CB-CH2 4.36Å; N184-W186 HydrophobicContact CB-CZ2 3.64Å; N184-W186 PolarHBondContact O-N 3.17Å; W186-C188 PolarHBondContact O-N 3.28Å; W186-F192 HydrophobicContact CD2-CE2 4.38Å; W186-F192 HydrophobicContact CD2-CZ 4.49Å; W186-F192 AromaticContact CE3-CE2 3.73Å; W186-F192 HydrophobicContact CE3-CE2 3.73Å; W186-F192 HydrophobicContact CE3-CZ 4.26Å; W186-F192 HydrophobicContact CZ3-CE2 4.3Å; W186-V215 PolarHBondContact O-N 2.9Å; W186-E216 PolarHBondContact O-N 3.45Å; W186-I225 HydrophobicContact CB-CG2 4.19Å; W186-I225 HydrophobicContact CG-CG2 3.96Å
187	K	95.6	Very high	94	Very high	58 Å²	58	37.5 Å²	37.5	25%	0.252	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	88.6	173.3	-66.6	-170.3	172	174.8	0	109.4	Q163 T164 P185 N189 E216	Q163-K187 HydrophobicContact CB-CD 4.12Å; Q163-K187 HydrophobicContact CB-CG 4.07Å; Q163-K187 HydrophobicContact CG-CD 4.39Å; Q163-K187 HydrophobicContact CG-CG 4.45Å; Q163-K187 PolarHBondContact O-N 3.35Å; T164-K187 HydrophobicContact CG2-CB 4.39Å; P185-K187 PolarHBondContact O-N 3.05Å; K187-N189 PolarHBondContact O-N 3.06Å; K187-E216 CarbonylContact C-O 3.44Å; K187-E216 WeakPolarHBondContact CD-OE2 3.2Å; K187-E216 WeakPolarHBondContact CE-OE1 3.32Å; K187-E216 WeakPolarHBondContact CE-OE2 3.27Å; K187-E216 HydrophobicContact CG-CB 4.22Å; K187-E216 IonicContact NZ-OE2 3.89Å
188	C	95.3	Very high	93.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.195	C	C	.	.			trans	-79.8	64.5	-178.7	-61.1	0	0	0	0	111	W186 F192 C214 E216 P217 V228 L232	W186-C188 PolarHBondContact O-N 3.28Å; C188-F192 HydrophobicContact CB-CD1 4.09Å; C188-C214 HydrophobicContact CB-CB 3.64Å; C188-C214 WeakPolarHBondContact CB-SG 3.26Å; C188-C214 WeakPolarHBondContact SG-CB 3.37Å; C188-C214 CovalentContact SG-SG 2.01Å; C188-C214 PolarHBondContact SG-SG 2.86Å; C188-E216 WeakPolarHBondContact CA-O 3.12Å; C188-E216 WeakPolarHBondContact CB-O 3.42Å; C188-E216 PolarHBondContact N-O 3.4Å; C188-P217 WeakPolarHBondContact O-CD 3.33Å; C188-V228 HydrophobicContact CB-CG2 4.4Å; C188-L232 HydrophobicContact CB-CD1 4.23Å; C188-L232 WeakPolarHBondContact O-CD2 3.43Å
189	N	92.1	Very high	93.7	Very high	69 Å²	69	31 Å²	31	37%	0.369	18%	0.184	S	C	.	.	S	Bend	trans	-98.3	-169.7	173.7	67	26.1	0	0	0	110.8	K187 S191 F192 L193	K187-N189 PolarHBondContact O-N 3.06Å; N189-S191 PolarHBondContact O-N 3.19Å; N189-S191 WeakPolarHBondContact OD1-CA 3.28Å; N189-S191 WeakPolarHBondContact OD1-CB 3.36Å; N189-S191 PolarHBondContact OD1-N 2.88Å; N189-S191 PolarHBondContact OD1-OG 3.31Å; N189-F192 WeakPolarHBondContact O-CB 3.2Å; N189-F192 PolarHBondContact O-N 2.97Å; N189-F192 PolarHBondContact OD1-N 3.18Å; N189-L193 PolarHBondContact O-N 2.92Å
190	C	90.1	Very high	93.4	Very high	72 Å²	72	34.4 Å²	34.4	49%	0.486	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-62.3	-26.3	-179.2	-56.4	0	0	0	0	114.7	F192 L193 C236	C190-F192 VanDerWaalsContact C-N 3.26Å; C190-F192 PolarHBondContact O-N 2.92Å; C190-L193 VanDerWaalsContact O-CB 3.26Å; C190-L193 WeakPolarHBondContact O-CB 3.31Å; C190-L193 PolarHBondContact O-N 2.59Å; C190-C236 WeakPolarHBondContact CA-SG 3.23Å; C190-C236 HydrophobicContact CB-CB 3.68Å; C190-C236 WeakPolarHBondContact CB-SG 3.35Å; C190-C236 WeakPolarHBondContact SG-CB 3.47Å; C190-C236 CovalentContact SG-SG 2.03Å; C190-C236 PolarHBondContact SG-SG 3.31Å
191	S	89.6	Confident	93	Very high	80 Å²	80	37.5 Å²	37.5	56%	0.559	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-73	-20.3	173.3	70.8	0	0	0	0	113.2	N189 L193	N189-S191 PolarHBondContact O-N 3.19Å; N189-S191 WeakPolarHBondContact OD1-CA 3.28Å; N189-S191 WeakPolarHBondContact OD1-CB 3.36Å; N189-S191 PolarHBondContact OD1-N 2.88Å; N189-S191 PolarHBondContact OD1-OG 3.31Å; S191-L193 VanDerWaalsContact C-N 3.34Å
192	F	92.9	Very high	92.6	Very high	1 Å²	1	40 Å²	40	0%	0.004	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-84.4	-11.6	175.7	-164.1	-99.9	0	0	0	112.6	W186 C188 N189 C190 D194 F195 A196 I225 V228 L232	W186-F192 HydrophobicContact CD2-CE2 4.38Å; W186-F192 HydrophobicContact CD2-CZ 4.49Å; W186-F192 AromaticContact CE3-CE2 3.73Å; W186-F192 HydrophobicContact CE3-CE2 3.73Å; W186-F192 HydrophobicContact CE3-CZ 4.26Å; W186-F192 HydrophobicContact CZ3-CE2 4.3Å; C188-F192 HydrophobicContact CB-CD1 4.09Å; N189-F192 WeakPolarHBondContact O-CB 3.2Å; N189-F192 PolarHBondContact O-N 2.97Å; N189-F192 PolarHBondContact OD1-N 3.18Å; C190-F192 VanDerWaalsContact C-N 3.26Å; C190-F192 PolarHBondContact O-N 2.92Å; F192-D194 VanDerWaalsContact C-N 3.34Å; F192-D194 PolarHBondContact O-N 3.26Å; F192-F195 HydrophobicContact CD1-CD1 4.49Å; F192-F195 HydrophobicContact CD2-CD1 4.15Å; F192-F195 AromaticContact CE1-CD1 3.87Å; F192-F195 HydrophobicContact CE1-CD1 3.87Å; F192-F195 HydrophobicContact CE1-CE1 4.44Å; F192-F195 AromaticContact CE2-CD1 3.47Å; F192-F195 HydrophobicContact CE2-CD1 3.47Å; F192-F195 VanDerWaalsContact CE2-CD1 3.47Å; F192-F195 AromaticContact CE2-CE1 3.93Å; F192-F195 HydrophobicContact CE2-CE1 3.93Å; F192-F195 HydrophobicContact CE2-CG 4.33Å; F192-F195 AromaticContact CZ-CD1 3.32Å; F192-F195 HydrophobicContact CZ-CD1 3.32Å; F192-F195 AromaticContact CZ-CE1 3.63Å; F192-F195 HydrophobicContact CZ-CE1 3.63Å; F192-F195 HydrophobicContact CZ-CG 4.49Å; F192-F195 PolarHBondContact O-N 3.07Å; F192-A196 HydrophobicContact CD1-CB 4.19Å; F192-A196 HydrophobicContact CE1-CB 4.29Å; F192-A196 PolarHBondContact O-N 2.93Å; F192-I225 HydrophobicContact CE1-CB 4.17Å; F192-I225 HydrophobicContact CE1-CG2 4.11Å; F192-I225 HydrophobicContact CZ-CB 4.2Å; F192-I225 HydrophobicContact CZ-CG2 3.94Å; F192-V228 HydrophobicContact CE1-CG2 4.36Å; F192-L232 HydrophobicContact CD1-CD1 4.27Å
193	L	91.5	Very high	92.2	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.052	27%	0.272	C	S	.	.	H	α-helix	trans	-57.3	-46.1	-176.9	178.3	59.6	0	0	0	112	N189 C190 S191 F195 A196 I197 L232 R233 C236 I237	N189-L193 PolarHBondContact O-N 2.92Å; C190-L193 VanDerWaalsContact O-CB 3.26Å; C190-L193 WeakPolarHBondContact O-CB 3.31Å; C190-L193 PolarHBondContact O-N 2.59Å; S191-L193 VanDerWaalsContact C-N 3.34Å; L193-F195 VanDerWaalsContact C-N 3.31Å; L193-F195 PolarHBondContact O-N 2.89Å; L193-A196 PolarHBondContact O-N 3.03Å; L193-I197 HydrophobicContact CD1-CD1 3.68Å; L193-I197 HydrophobicContact CD1-CG1 3.99Å; L193-I197 HydrophobicContact CD2-CD1 4.49Å; L193-I197 HydrophobicContact CG-CD1 3.76Å; L193-I197 HydrophobicContact CG-CG1 4.42Å; L193-I197 VanDerWaalsContact O-CG1 3.31Å; L193-I197 WeakPolarHBondContact O-CG1 3.35Å; L193-I197 PolarHBondContact O-N 3.43Å; L193-L232 HydrophobicContact CD1-CB 3.76Å; L193-R233 HydrophobicContact CD1-CB 4.18Å; L193-C236 HydrophobicContact CD2-CB 4.23Å; L193-I237 HydrophobicContact CD2-CD1 3.85Å; L193-I237 HydrophobicContact CD2-CG1 3.93Å
194	D	91.3	Very high	91.8	Very high	106 Å²	106	46.4 Å²	46.4	57%	0.567	26%	0.258	S	S	*	.	H	α-helix	trans	-62.4	-40.7	-178.7	-65.6	-29	0	0	0	111.7	F192 F198	F192-D194 VanDerWaalsContact C-N 3.34Å; F192-D194 PolarHBondContact O-N 3.26Å; D194-F198 VanDerWaalsContact O-CB 3.24Å; D194-F198 WeakPolarHBondContact O-CB 3.48Å; D194-F198 PolarHBondContact O-N 3.45Å
195	F	93.3	Very high	91.3	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-46.4	175.7	178.4	-100.8	0	0	0	112	L165 L170 L181 F192 L193 I197 F198 L199	L165-F195 HydrophobicContact CB-CD2 4.15Å; L165-F195 HydrophobicContact CB-CE2 3.9Å; L165-F195 HydrophobicContact CB-CZ 4.15Å; L165-F195 HydrophobicContact CD2-CE2 3.6Å; L165-F195 HydrophobicContact CD2-CZ 3.83Å; L165-F195 HydrophobicContact CG-CD2 4.29Å; L165-F195 HydrophobicContact CG-CE2 3.81Å; L165-F195 HydrophobicContact CG-CZ 4.34Å; L165-F195 WeakPolarHBondContact O-CB 3Å; L165-F195 VanDerWaalsContact O-CD2 3.31Å; L165-F195 WeakPolarHBondContact O-CD2 3.15Å; L165-F195 WeakPolarHBondContact O-CG 3.48Å; L170-F195 HydrophobicContact CD1-CE2 3.58Å; L170-F195 HydrophobicContact CD1-CZ 4.17Å; L170-F195 HydrophobicContact CG-CE2 4.34Å; L181-F195 HydrophobicContact CD1-CE1 4.43Å; L181-F195 HydrophobicContact CD1-CZ 3.97Å; F192-F195 HydrophobicContact CD1-CD1 4.49Å; F192-F195 HydrophobicContact CD2-CD1 4.15Å; F192-F195 AromaticContact CE1-CD1 3.87Å; F192-F195 HydrophobicContact CE1-CD1 3.87Å; F192-F195 HydrophobicContact CE1-CE1 4.44Å; F192-F195 AromaticContact CE2-CD1 3.47Å; F192-F195 HydrophobicContact CE2-CD1 3.47Å; F192-F195 VanDerWaalsContact CE2-CD1 3.47Å; F192-F195 AromaticContact CE2-CE1 3.93Å; F192-F195 HydrophobicContact CE2-CE1 3.93Å; F192-F195 HydrophobicContact CE2-CG 4.33Å; F192-F195 AromaticContact CZ-CD1 3.32Å; F192-F195 HydrophobicContact CZ-CD1 3.32Å; F192-F195 AromaticContact CZ-CE1 3.63Å; F192-F195 HydrophobicContact CZ-CE1 3.63Å; F192-F195 HydrophobicContact CZ-CG 4.49Å; F192-F195 PolarHBondContact O-N 3.07Å; L193-F195 VanDerWaalsContact C-N 3.31Å; L193-F195 PolarHBondContact O-N 2.89Å; F195-I197 VanDerWaalsContact C-N 3.35Å; F195-I197 PolarHBondContact O-N 3.06Å; F195-F198 WeakPolarHBondContact O-CB 3.16Å; F195-F198 PolarHBondContact O-N 3.11Å; F195-L199 HydrophobicContact CD1-CD1 4.2Å; F195-L199 HydrophobicContact CE1-CD1 3.56Å; F195-L199 HydrophobicContact CE1-CG 4.12Å; F195-L199 HydrophobicContact CE2-CD2 4.32Å; F195-L199 HydrophobicContact CE2-CG 4.47Å; F195-L199 HydrophobicContact CZ-CD1 3.84Å; F195-L199 HydrophobicContact CZ-CD2 4.03Å; F195-L199 HydrophobicContact CZ-CG 4.07Å; F195-L199 PolarHBondContact O-N 3.33Å
196	A	92.8	Very high	91	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-42.1	177.6	0	0	0	0	0	112	F192 L193 I200 V228	F192-A196 HydrophobicContact CD1-CB 4.19Å; F192-A196 HydrophobicContact CE1-CB 4.29Å; F192-A196 PolarHBondContact O-N 2.93Å; L193-A196 PolarHBondContact O-N 3.03Å; A196-I200 WeakPolarHBondContact O-CD1 2.98Å; A196-I200 WeakPolarHBondContact O-CG1 3.03Å; A196-I200 PolarHBondContact O-N 2.94Å; A196-V228 HydrophobicContact CB-CG2 4.27Å
197	I	89.9	Confident	90.7	Very high	61 Å²	61	52.5 Å²	52.5	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-65.1	-42.8	175.4	-68	171.4	0	0	0	110.7	L193 F195 L199 I200 V201	L193-I197 HydrophobicContact CD1-CD1 3.68Å; L193-I197 HydrophobicContact CD1-CG1 3.99Å; L193-I197 HydrophobicContact CD2-CD1 4.49Å; L193-I197 HydrophobicContact CG-CD1 3.76Å; L193-I197 HydrophobicContact CG-CG1 4.42Å; L193-I197 VanDerWaalsContact O-CG1 3.31Å; L193-I197 WeakPolarHBondContact O-CG1 3.35Å; L193-I197 PolarHBondContact O-N 3.43Å; F195-I197 VanDerWaalsContact C-N 3.35Å; F195-I197 PolarHBondContact O-N 3.06Å; I197-L199 PolarHBondContact O-N 3.18Å; I197-I200 PolarHBondContact O-N 2.96Å; I197-V201 HydrophobicContact CG2-CG2 3.97Å; I197-V201 WeakPolarHBondContact O-CG2 3.32Å; I197-V201 PolarHBondContact O-N 3.09Å
198	F	91.9	Very high	90.4	Very high	31 Å²	31	50.5 Å²	50.5	14%	0.136	29%	0.285	C	S	.	.	H	α-helix	trans	-57.4	-46.9	178.4	170.4	-95.4	0	0	0	111.8	L170 H171 D194 F195 I200 V201 S202 M204	L170-F198 HydrophobicContact CB-CE1 3.6Å; L170-F198 HydrophobicContact CB-CZ 4.05Å; L170-F198 HydrophobicContact CD1-CE1 4.25Å; H171-F198 HydrophobicContact CB-CE2 4.42Å; D194-F198 VanDerWaalsContact O-CB 3.24Å; D194-F198 WeakPolarHBondContact O-CB 3.48Å; D194-F198 PolarHBondContact O-N 3.45Å; F195-F198 WeakPolarHBondContact O-CB 3.16Å; F195-F198 PolarHBondContact O-N 3.11Å; F198-I200 VanDerWaalsContact C-N 3.26Å; F198-I200 PolarHBondContact O-N 3.47Å; F198-V201 PolarHBondContact O-N 2.92Å; F198-S202 VanDerWaalsContact CE2-OG 3.23Å; F198-S202 WeakPolarHBondContact CE2-OG 3.34Å; F198-S202 VanDerWaalsContact O-CB 3.26Å; F198-S202 WeakPolarHBondContact O-CB 3.32Å; F198-S202 PolarHBondContact O-N 3.16Å; F198-S202 PolarHBondContact O-OG 2.67Å; F198-M204 HydrophobicContact CE1-CE 3.62Å; F198-M204 HydrophobicContact CZ-CE 3.98Å
199	L	91.3	Very high	89.8	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-55.7	-42.7	177.1	-67.6	179.5	0	0	0	112	L170 F195 I197 H203 M204 I225	L170-L199 HydrophobicContact CD1-CD2 4.31Å; F195-L199 HydrophobicContact CD1-CD1 4.2Å; F195-L199 HydrophobicContact CE1-CD1 3.56Å; F195-L199 HydrophobicContact CE1-CG 4.12Å; F195-L199 HydrophobicContact CE2-CD2 4.32Å; F195-L199 HydrophobicContact CE2-CG 4.47Å; F195-L199 HydrophobicContact CZ-CD1 3.84Å; F195-L199 HydrophobicContact CZ-CD2 4.03Å; F195-L199 HydrophobicContact CZ-CG 4.07Å; F195-L199 PolarHBondContact O-N 3.33Å; I197-L199 PolarHBondContact O-N 3.18Å; L199-H203 PolarHBondContact O-N 3.22Å; L199-M204 HydrophobicContact CD2-CB 4.06Å; L199-M204 PolarHBondContact O-N 3.37Å; L199-I225 HydrophobicContact CD1-CD1 4.15Å; L199-I225 HydrophobicContact CD1-CG1 4.42Å
200	I	88.4	Confident	89.4	Confident	78 Å²	78	55 Å²	55	40%	0.4	31%	0.308	S	S	.	.	H	α-helix	trans	-67.3	-49.7	179.9	-62.5	165.1	0	0	0	111.3	A196 I197 F198 H203	A196-I200 WeakPolarHBondContact O-CD1 2.98Å; A196-I200 WeakPolarHBondContact O-CG1 3.03Å; A196-I200 PolarHBondContact O-N 2.94Å; I197-I200 PolarHBondContact O-N 2.96Å; F198-I200 VanDerWaalsContact C-N 3.26Å; F198-I200 PolarHBondContact O-N 3.47Å; I200-H203 PolarHBondContact O-N 3.26Å
201	V	89.6	Confident	89.5	Confident	103 Å²	103	56.9 Å²	56.9	62%	0.624	31%	0.314	S	S	*	.	H	α-helix	trans	-70.9	-35.5	-174.8	174	0	0	0	0	111.8	I197 F198 H203	I197-V201 HydrophobicContact CG2-CG2 3.97Å; I197-V201 WeakPolarHBondContact O-CG2 3.32Å; I197-V201 PolarHBondContact O-N 3.09Å; F198-V201 PolarHBondContact O-N 2.92Å; V201-H203 VanDerWaalsContact C-N 3.25Å; V201-H203 PolarHBondContact O-N 3.39Å
202	S	88	Confident	89.8	Confident	54 Å²	54	53.1 Å²	53.1	38%	0.378	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	1.2	178.2	-63.6	0	0	0	0	113.4	F198 M204	F198-S202 VanDerWaalsContact CE2-OG 3.23Å; F198-S202 WeakPolarHBondContact CE2-OG 3.34Å; F198-S202 VanDerWaalsContact O-CB 3.26Å; F198-S202 WeakPolarHBondContact O-CB 3.32Å; F198-S202 PolarHBondContact O-N 3.16Å; F198-S202 PolarHBondContact O-OG 2.67Å; S202-M204 PolarHBondContact O-N 3.42Å
203	H	86.8	Confident	89.9	Confident	163 Å²	163	55 Å²	55	76%	0.755	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	36.3	-174.6	-60.5	-65.2	0	0	0	112.6	L199 I200 V201 D205	L199-H203 PolarHBondContact O-N 3.22Å; I200-H203 PolarHBondContact O-N 3.26Å; V201-H203 VanDerWaalsContact C-N 3.25Å; V201-H203 PolarHBondContact O-N 3.39Å; H203-D205 PolarHBondContact O-N 3.28Å
204	M	86.8	Confident	90.1	Very high	28 Å²	28	54.5 Å²	54.5	14%	0.138	30%	0.297	C	S	.	.			trans	-94	82	179.8	-74.4	-118.5	-77	0	0	108.6	L170 L176 F198 L199 S202 P206	L170-M204 HydrophobicContact CB-CE 3.86Å; L170-M204 HydrophobicContact CD1-CE 3.97Å; L170-M204 HydrophobicContact CG-CE 4.46Å; L176-M204 HydrophobicContact CB-SD 4.2Å; L176-M204 HydrophobicContact CD2-CE 4.15Å; L176-M204 HydrophobicContact CD2-SD 4.14Å; F198-M204 HydrophobicContact CE1-CE 3.62Å; F198-M204 HydrophobicContact CZ-CE 3.98Å; L199-M204 HydrophobicContact CD2-CB 4.06Å; L199-M204 PolarHBondContact O-N 3.37Å; S202-M204 PolarHBondContact O-N 3.42Å; M204-P206 WeakPolarHBondContact O-CD 3.02Å
205	D	87.6	Confident	90.4	Very high	113 Å²	113	52.7 Å²	52.7	60%	0.604	29%	0.289	S	S	*	.			trans	-82	116.9	175.3	-70.3	-33.6	0	0	0	109.7	H203 S207	H203-D205 PolarHBondContact O-N 3.28Å; D205-S207 PolarHBondContact O-N 3.3Å
206	P	89.4	Confident	90.4	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.032	31%	0.31	C	S	.	.			trans	-58.3	136.6	174.3	-21.1	33.8	0	0	0	109.8	L179 L181 M204 D208 D209 I225 T226	L179-P206 CarbonylContact O-C 3.28Å; L179-P206 WeakPolarHBondContact O-CA 3.23Å; L181-P206 HydrophobicContact CD1-CB 4.35Å; L181-P206 HydrophobicContact CD1-CG 3.88Å; M204-P206 WeakPolarHBondContact O-CD 3.02Å; P206-D208 PolarHBondContact O-N 3.18Å; P206-D209 WeakPolarHBondContact O-CB 3.25Å; P206-D209 PolarHBondContact O-N 3.45Å; P206-I225 HydrophobicContact CG-CD1 4.23Å; P206-T226 HydrophobicContact CG-CG2 4.26Å
207	S	91.1	Very high	90.4	Very high	69 Å²	69	58.9 Å²	58.9	48%	0.483	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.2	-179.5	-56.9	0	0	0	0	112.7	L179 D205	L179-S207 PolarHBondContact O-N 3.04Å; D205-S207 PolarHBondContact O-N 3.3Å
208	D	88.6	Confident	90.5	Very high	15 Å²	15	61.7 Å²	61.7	8%	0.08	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	32.5	175.2	58.3	-2.7	0	0	0	113.4	R158 F180 L181 S182 P206 L210 N211 A212	R158-D208 WeakPolarHBondContact CD-OD2 3.49Å; R158-D208 WeakPolarHBondContact CG-OD2 3.41Å; F180-D208 WeakPolarHBondContact CA-OD1 3.33Å; F180-D208 WeakPolarHBondContact CB-OD2 3.32Å; F180-D208 HydrophobicContact CD1-CB 3.89Å; L181-D208 PolarHBondContact N-OD1 3.32Å; L181-D208 PolarHBondContact N-OD2 2.88Å; S182-D208 WeakPolarHBondContact CA-OD2 3.4Å; S182-D208 WeakPolarHBondContact CB-OD2 3.29Å; S182-D208 PolarHBondContact N-OD2 3.25Å; S182-D208 PolarHBondContact OG-OD2 2.94Å; P206-D208 PolarHBondContact O-N 3.18Å; D208-L210 VanDerWaalsContact C-N 3.26Å; D208-L210 PolarHBondContact O-N 3.27Å; D208-L210 VanDerWaalsContact O-N 3.11Å; D208-N211 PolarHBondContact O-N 3.49Å; D208-A212 PolarHBondContact O-N 3.3Å; D208-A212 VanDerWaalsContact O-N 3.11Å
209	D	83.3	Confident	90.5	Very high	31 Å²	31	65.9 Å²	65.9	17%	0.166	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-45	-44.9	-177.2	179.5	51.7	0	0	0	114.3	P206 N211 A212 T226	P206-D209 WeakPolarHBondContact O-CB 3.25Å; P206-D209 PolarHBondContact O-N 3.45Å; D209-N211 PolarHBondContact O-N 2.92Å; D209-N211 VanDerWaalsContact O-N 3.17Å; D209-A212 PolarHBondContact O-N 3.36Å; D209-T226 VanDerWaalsContact OD1-CB 3.31Å; D209-T226 WeakPolarHBondContact OD1-CB 3.37Å; D209-T226 WeakPolarHBondContact OD1-CG2 3.48Å; D209-T226 PolarHBondContact OD1-OG1 3.01Å; D209-T226 PolarHBondContact OD2-OG1 3.22Å
210	L	83.9	Confident	90.7	Very high	132 Å²	132	66.2 Å²	66.2	69%	0.691	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-63.6	-24	-178.8	-65	174.8	0	0	0	113.8	D208	D208-L210 VanDerWaalsContact C-N 3.26Å; D208-L210 PolarHBondContact O-N 3.27Å; D208-L210 VanDerWaalsContact O-N 3.11Å
211	N	92.2	Very high	91	Very high	113 Å²	113	66.2 Å²	66.2	60%	0.604	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-106.2	-8.9	-176.8	-64.4	-17.4	0	0	0	112.5	D208 D209 T213	D208-N211 PolarHBondContact O-N 3.49Å; D209-N211 PolarHBondContact O-N 2.92Å; D209-N211 VanDerWaalsContact O-N 3.17Å; N211-T213 PolarHBondContact O-N 2.83Å
212	A	94.7	Very high	91.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.36	C	S	.	.			trans	-90.7	85.5	174.5	0	0	0	0	0	109	L181 D208 D209 P224 I225	L181-A212 HydrophobicContact CB-CB 4.09Å; D208-A212 PolarHBondContact O-N 3.3Å; D208-A212 VanDerWaalsContact O-N 3.11Å; D209-A212 PolarHBondContact O-N 3.36Å; A212-P224 WeakPolarHBondContact O-CA 2.99Å; A212-I225 HydrophobicContact CB-CD1 3.74Å; A212-I225 HydrophobicContact CB-CG1 3.93Å; A212-I225 WeakPolarHBondContact O-CG1 3.34Å; A212-I225 WeakPolarHBondContact O-CG2 3.49Å; A212-I225 PolarHBondContact O-N 2.94Å
213	T	95.6	Very high	91.5	Very high	40 Å²	40	66.7 Å²	66.7	25%	0.245	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-115.2	150.6	-175	60.9	0	0	0	0	113	N211 G222 W223	N211-T213 PolarHBondContact O-N 2.83Å; T213-G222 WeakPolarHBondContact CG2-O 3.21Å; T213-W223 CarbonylContact C-O 3.56Å; T213-W223 WeakPolarHBondContact CA-O 2.97Å
214	C	96.4	Very high	91.8	Very high	1 Å²	1	60 Å²	60	1%	0.007	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	141.4	173	-58.2	0	0	0	0	111.6	C188 L220 T221 G222 W223 V228	C188-C214 HydrophobicContact CB-CB 3.64Å; C188-C214 WeakPolarHBondContact CB-SG 3.26Å; C188-C214 WeakPolarHBondContact SG-CB 3.37Å; C188-C214 CovalentContact SG-SG 2.01Å; C188-C214 PolarHBondContact SG-SG 2.86Å; C214-L220 HydrophobicContact CB-CB 4.47Å; C214-L220 WeakPolarHBondContact CB-O 3.46Å; C214-T221 CarbonylContact O-C 3.53Å; C214-T221 WeakPolarHBondContact O-CA 3.24Å; C214-G222 PolarHBondContact O-N 3.08Å; C214-W223 PolarHBondContact N-O 3.48Å; C214-V228 VanDerWaalsContact SG-CG1 3.51Å
215	V	96.3	Very high	92.1	Very high	68 Å²	68	58.6 Å²	58.6	41%	0.412	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-40.6	172.3	177	0	0	0	0	110.3	P185 W186 T221	P185-V215 HydrophobicContact CB-CG2 4.38Å; W186-V215 PolarHBondContact O-N 2.9Å; V215-T221 PolarHBondContact O-OG1 3.06Å
216	E	93.6	Very high	92.3	Very high	96 Å²	96	54.1 Å²	54.1	45%	0.449	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151.3	174.7	-67.5	174.6	-158	0	0	110	W186 K187 C188	W186-E216 PolarHBondContact O-N 3.45Å; K187-E216 CarbonylContact C-O 3.44Å; K187-E216 WeakPolarHBondContact CD-OE2 3.2Å; K187-E216 WeakPolarHBondContact CE-OE1 3.32Å; K187-E216 WeakPolarHBondContact CE-OE2 3.27Å; K187-E216 HydrophobicContact CG-CB 4.22Å; K187-E216 IonicContact NZ-OE2 3.89Å; C188-E216 WeakPolarHBondContact CA-O 3.12Å; C188-E216 WeakPolarHBondContact CB-O 3.42Å; C188-E216 PolarHBondContact N-O 3.4Å
217	P	94.1	Very high	92.4	Very high	36 Å²	36	61.1 Å²	61.1	23%	0.234	33%	0.33	C	S	.	.	S	Bend	cis	-75.4	171	-5.2	36.8	-40.2	0	0	0	112.1	C188 E219 L220 T221	C188-P217 WeakPolarHBondContact O-CD 3.33Å; P217-E219 WeakPolarHBondContact CB-OE2 3.31Å; P217-E219 PolarHBondContact O-N 3.26Å; P217-E219 VanDerWaalsContact O-N 3.13Å; P217-L220 HydrophobicContact CG-CB 4.41Å; P217-L220 HydrophobicContact CG-CD1 4.26Å; P217-L220 HydrophobicContact CG-CG 4.33Å; P217-L220 PolarHBondContact O-N 3.23Å; P217-T221 PolarHBondContact O-N 2.95Å; P217-T221 PolarHBondContact O-OG1 2.94Å
218	T	91.5	Very high	92.4	Very high	119 Å²	119	57.9 Å²	57.9	73%	0.73	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28	-173.6	37.3	0	0	0	0	114.3	L220 T221	T218-L220 VanDerWaalsContact C-N 3.29Å; T218-L220 PolarHBondContact O-N 2.89Å; T218-T221 WeakPolarHBondContact CA-OG1 3.37Å; T218-T221 PolarHBondContact O-OG1 3.32Å
219	E	92.1	Very high	92.5	Very high	119 Å²	119	57.2 Å²	57.2	56%	0.556	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.9	179.3	-58.2	72.4	-156.4	0	0	112.3	P217	P217-E219 WeakPolarHBondContact CB-OE2 3.31Å; P217-E219 PolarHBondContact O-N 3.26Å; P217-E219 VanDerWaalsContact O-N 3.13Å
220	L	93.9	Very high	92.8	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.042	33%	0.328	C	S	.	.	S	Bend	trans	-110.9	6.7	-177.2	-61.4	179.6	0	0	0	112.6	C214 P217 T218 G222 W223 V228 P231 L232 M235	C214-L220 HydrophobicContact CB-CB 4.47Å; C214-L220 WeakPolarHBondContact CB-O 3.46Å; P217-L220 HydrophobicContact CG-CB 4.41Å; P217-L220 HydrophobicContact CG-CD1 4.26Å; P217-L220 HydrophobicContact CG-CG 4.33Å; P217-L220 PolarHBondContact O-N 3.23Å; T218-L220 VanDerWaalsContact C-N 3.29Å; T218-L220 PolarHBondContact O-N 2.89Å; L220-G222 PolarHBondContact O-N 2.03Å; L220-W223 HydrophobicContact CD2-CD2 4.39Å; L220-W223 HydrophobicContact CD2-CG 4.37Å; L220-W223 VanDerWaalsContact O-CB 3.3Å; L220-W223 WeakPolarHBondContact O-CB 3.2Å; L220-W223 PolarHBondContact O-N 3.21Å; L220-V228 HydrophobicContact CD1-CB 4.5Å; L220-V228 HydrophobicContact CD1-CG1 4.4Å; L220-P231 HydrophobicContact CD2-CB 3.94Å; L220-L232 HydrophobicContact CD1-CD2 3.79Å; L220-L232 HydrophobicContact CD1-CG 3.97Å; L220-M235 HydrophobicContact CD1-SD 4.48Å
221	T	95.1	Very high	93.1	Very high	77 Å²	77	57.2 Å²	57.2	47%	0.472	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	129	177.4	-54.5	0	0	0	0	110.8	C214 V215 P217 T218 W223	C214-T221 CarbonylContact O-C 3.53Å; C214-T221 WeakPolarHBondContact O-CA 3.24Å; V215-T221 PolarHBondContact O-OG1 3.06Å; P217-T221 PolarHBondContact O-N 2.95Å; P217-T221 PolarHBondContact O-OG1 2.94Å; T218-T221 WeakPolarHBondContact CA-OG1 3.37Å; T218-T221 PolarHBondContact O-OG1 3.32Å; T221-W223 VanDerWaalsContact C-N 3.3Å; T221-W223 PolarHBondContact O-N 3.1Å
222	G	93.8	Very high	93	Very high	46 Å²	46	52 Å²	52	47%	0.474	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-2.9	-178.4	0	0	0	0	0	115	T213 C214 L220	T213-G222 WeakPolarHBondContact CG2-O 3.21Å; C214-G222 PolarHBondContact O-N 3.08Å; L220-G222 PolarHBondContact O-N 2.03Å
223	W	94	Very high	92.7	Very high	121 Å²	121	59 Å²	59	46%	0.458	31%	0.305	S	S	.	.			trans	-76.1	136.1	175.6	-74.9	65.6	0	0	0	111.4	T213 C214 L220 T221 V228 P231	T213-W223 CarbonylContact C-O 3.56Å; T213-W223 WeakPolarHBondContact CA-O 2.97Å; C214-W223 PolarHBondContact N-O 3.48Å; L220-W223 HydrophobicContact CD2-CD2 4.39Å; L220-W223 HydrophobicContact CD2-CG 4.37Å; L220-W223 VanDerWaalsContact O-CB 3.3Å; L220-W223 WeakPolarHBondContact O-CB 3.2Å; L220-W223 PolarHBondContact O-N 3.21Å; T221-W223 VanDerWaalsContact C-N 3.3Å; T221-W223 PolarHBondContact O-N 3.1Å; W223-V228 HydrophobicContact CB-CG1 3.55Å; W223-V228 HydrophobicContact CG-CG1 4.44Å; W223-P231 HydrophobicContact CZ3-CG 4.36Å
224	P	93.9	Very high	92.2	Very high	22 Å²	22	65.2 Å²	65.2	14%	0.143	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-61.1	137.4	174.2	-23.3	33.5	0	0	0	112.1	A212 T226 R227 V228	A212-P224 WeakPolarHBondContact O-CA 2.99Å; P224-T226 PolarHBondContact O-N 3.38Å; P224-T226 VanDerWaalsContact O-N 3.17Å; P224-R227 HydrophobicContact CB-CB 4.5Å; P224-R227 HydrophobicContact CB-CG 4.28Å; P224-R227 PolarHBondContact O-N 3.35Å; P224-V228 PolarHBondContact O-N 3.44Å
225	I	93.7	Very high	91.6	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.5	-177.1	58.2	173.4	0	0	0	113.5	L181 W186 F192 L199 P206 A212 R227 V228	L181-I225 HydrophobicContact CB-CD1 4.11Å; L181-I225 HydrophobicContact CD1-CD1 3.5Å; L181-I225 HydrophobicContact CG-CD1 4.46Å; W186-I225 HydrophobicContact CB-CG2 4.19Å; W186-I225 HydrophobicContact CG-CG2 3.96Å; F192-I225 HydrophobicContact CE1-CB 4.17Å; F192-I225 HydrophobicContact CE1-CG2 4.11Å; F192-I225 HydrophobicContact CZ-CB 4.2Å; F192-I225 HydrophobicContact CZ-CG2 3.94Å; L199-I225 HydrophobicContact CD1-CD1 4.15Å; L199-I225 HydrophobicContact CD1-CG1 4.42Å; P206-I225 HydrophobicContact CG-CD1 4.23Å; A212-I225 HydrophobicContact CB-CD1 3.74Å; A212-I225 HydrophobicContact CB-CG1 3.93Å; A212-I225 WeakPolarHBondContact O-CG1 3.34Å; A212-I225 WeakPolarHBondContact O-CG2 3.49Å; A212-I225 PolarHBondContact O-N 2.94Å; I225-R227 VanDerWaalsContact C-N 3.27Å; I225-R227 PolarHBondContact O-N 3.24Å; I225-V228 VanDerWaalsContact O-CG2 3.28Å; I225-V228 WeakPolarHBondContact O-CG2 3.26Å
226	T	91.2	Very high	91	Very high	18 Å²	18	68.1 Å²	68.1	11%	0.11	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.3	176.3	55.4	0	0	0	0	113	P206 D209 P224	P206-T226 HydrophobicContact CG-CG2 4.26Å; D209-T226 VanDerWaalsContact OD1-CB 3.31Å; D209-T226 WeakPolarHBondContact OD1-CB 3.37Å; D209-T226 WeakPolarHBondContact OD1-CG2 3.48Å; D209-T226 PolarHBondContact OD1-OG1 3.01Å; D209-T226 PolarHBondContact OD2-OG1 3.22Å; P224-T226 PolarHBondContact O-N 3.38Å; P224-T226 VanDerWaalsContact O-N 3.17Å
227	R	90.8	Very high	90.1	Very high	153 Å²	153	68.1 Å²	68.1	58%	0.577	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-10.5	-175.1	-59.9	-172.2	-168.3	-174.8	3.4	114	P224 I225 G229 P231	P224-R227 HydrophobicContact CB-CB 4.5Å; P224-R227 HydrophobicContact CB-CG 4.28Å; P224-R227 PolarHBondContact O-N 3.35Å; I225-R227 VanDerWaalsContact C-N 3.27Å; I225-R227 PolarHBondContact O-N 3.24Å; R227-G229 VanDerWaalsContact C-N 3.32Å; R227-G229 PolarHBondContact O-N 3.47Å; R227-P231 WeakPolarHBondContact O-CD 3.38Å
228	V	92.4	Very high	88.7	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.352	C	S	.	.			trans	-79.6	-9.5	-178.9	-65.8	0	0	0	0	114.4	C188 F192 A196 C214 L220 W223 P224 I225 N230 P231 L232	C188-V228 HydrophobicContact CB-CG2 4.4Å; F192-V228 HydrophobicContact CE1-CG2 4.36Å; A196-V228 HydrophobicContact CB-CG2 4.27Å; C214-V228 VanDerWaalsContact SG-CG1 3.51Å; L220-V228 HydrophobicContact CD1-CB 4.5Å; L220-V228 HydrophobicContact CD1-CG1 4.4Å; W223-V228 HydrophobicContact CB-CG1 3.55Å; W223-V228 HydrophobicContact CG-CG1 4.44Å; P224-V228 PolarHBondContact O-N 3.44Å; I225-V228 VanDerWaalsContact O-CG2 3.28Å; I225-V228 WeakPolarHBondContact O-CG2 3.26Å; V228-N230 PolarHBondContact O-N 3.25Å; V228-P231 WeakPolarHBondContact O-CD 3.02Å; V228-L232 HydrophobicContact CB-CD1 4.02Å; V228-L232 HydrophobicContact CB-CG 4.33Å; V228-L232 HydrophobicContact CG2-CD1 3.78Å; V228-L232 VanDerWaalsContact O-CB 3.27Å; V228-L232 WeakPolarHBondContact O-CB 3.47Å; V228-L232 WeakPolarHBondContact O-CG 3.45Å; V228-L232 PolarHBondContact O-N 3.2Å
229	G	90.3	Very high	87	Confident	2 Å²	2	71.5 Å²	71.5	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-55.5	-48.8	-177.3	0	0	0	0	0	113.9	R227 R233	R227-G229 VanDerWaalsContact C-N 3.32Å; R227-G229 PolarHBondContact O-N 3.47Å; G229-R233 WeakPolarHBondContact O-CB 3.39Å; G229-R233 PolarHBondContact O-N 3.17Å
230	N	88.6	Confident	85.5	Confident	125 Å²	125	69 Å²	69	67%	0.668	34%	0.341	S	S	*	.	H	α-helix	trans	-68	-49.8	178.6	-76.2	-20.1	0	0	0	113	V228 L232 R233 Y234	V228-N230 PolarHBondContact O-N 3.25Å; N230-L232 VanDerWaalsContact C-N 3.31Å; N230-L232 PolarHBondContact O-N 2.94Å; N230-R233 WeakPolarHBondContact O-CB 3.32Å; N230-R233 PolarHBondContact O-N 2.9Å; N230-Y234 PolarHBondContact O-N 3.18Å; N230-Y234 VanDerWaalsContact O-N 3.09Å
231	P	90.3	Very high	84.1	Confident	38 Å²	38	71.9 Å²	71.9	25%	0.247	36%	0.356	C	S	.	.	H	α-helix	trans	-52.6	-46.2	172.1	-28	33.1	0	0	0	113.2	L220 W223 R227 V228 R233 Y234 M235	L220-P231 HydrophobicContact CD2-CB 3.94Å; W223-P231 HydrophobicContact CZ3-CG 4.36Å; R227-P231 WeakPolarHBondContact O-CD 3.38Å; V228-P231 WeakPolarHBondContact O-CD 3.02Å; P231-R233 PolarHBondContact O-N 3.19Å; P231-Y234 PolarHBondContact O-N 2.74Å; P231-M235 WeakPolarHBondContact O-CG 3.1Å; P231-M235 PolarHBondContact O-N 2.6Å
232	L	90.6	Very high	83.1	Confident	3 Å²	3	76 Å²	76	2%	0.016	37%	0.37	C	S	.	.	H	α-helix	trans	-65	-40.6	178.7	-77.4	170.8	0	0	0	112.3	C188 F192 L193 L220 V228 N230 Y234 M235 C236	C188-L232 HydrophobicContact CB-CD1 4.23Å; C188-L232 WeakPolarHBondContact O-CD2 3.43Å; F192-L232 HydrophobicContact CD1-CD1 4.27Å; L193-L232 HydrophobicContact CD1-CB 3.76Å; L220-L232 HydrophobicContact CD1-CD2 3.79Å; L220-L232 HydrophobicContact CD1-CG 3.97Å; V228-L232 HydrophobicContact CB-CD1 4.02Å; V228-L232 HydrophobicContact CB-CG 4.33Å; V228-L232 HydrophobicContact CG2-CD1 3.78Å; V228-L232 VanDerWaalsContact O-CB 3.27Å; V228-L232 WeakPolarHBondContact O-CB 3.47Å; V228-L232 WeakPolarHBondContact O-CG 3.45Å; V228-L232 PolarHBondContact O-N 3.2Å; N230-L232 VanDerWaalsContact C-N 3.31Å; N230-L232 PolarHBondContact O-N 2.94Å; L232-Y234 VanDerWaalsContact C-N 3.27Å; L232-Y234 PolarHBondContact O-N 3.35Å; L232-M235 PolarHBondContact O-N 3.39Å; L232-C236 WeakPolarHBondContact O-CB 3.46Å; L232-C236 PolarHBondContact O-N 3.23Å; L232-C236 PolarHBondContact O-SG 3.4Å
233	R	88.8	Confident	82.3	Confident	146 Å²	146	81.2 Å²	81.2	55%	0.551	38%	0.379	S	S	*	.	H	α-helix	trans	-58.3	-42.5	176.2	-172.8	178	176.5	-178	-0.6	111.4	L193 G229 N230 P231 I237	L193-R233 HydrophobicContact CD1-CB 4.18Å; G229-R233 WeakPolarHBondContact O-CB 3.39Å; G229-R233 PolarHBondContact O-N 3.17Å; N230-R233 WeakPolarHBondContact O-CB 3.32Å; N230-R233 PolarHBondContact O-N 2.9Å; P231-R233 PolarHBondContact O-N 3.19Å; R233-I237 HydrophobicContact CG-CB 4.47Å; R233-I237 HydrophobicContact CG-CD1 4.01Å; R233-I237 HydrophobicContact CG-CG1 4.38Å; R233-I237 WeakPolarHBondContact O-CB 3.41Å; R233-I237 PolarHBondContact O-N 3.1Å
234	Y	84.6	Confident	81.6	Confident	171 Å²	171	78.9 Å²	78.9	67%	0.671	38%	0.376	S	S	*	.	H	α-helix	trans	-63.3	-51.3	175.1	-175.3	-100.5	0	0	0	110.8	N230 P231 L232 C236 T238	N230-Y234 PolarHBondContact O-N 3.18Å; N230-Y234 VanDerWaalsContact O-N 3.09Å; P231-Y234 PolarHBondContact O-N 2.74Å; L232-Y234 VanDerWaalsContact C-N 3.27Å; L232-Y234 PolarHBondContact O-N 3.35Å; Y234-C236 VanDerWaalsContact C-N 3.31Å; Y234-C236 PolarHBondContact O-N 3.28Å; Y234-T238 HydrophobicContact CD2-CG2 4.2Å; Y234-T238 PolarHBondContact O-N 2.93Å; Y234-T238 PolarHBondContact O-OG1 2.95Å
235	M	83.9	Confident	81	Confident	93 Å²	93	84.4 Å²	84.4	46%	0.458	40%	0.395	S	S	.	.	H	α-helix	trans	-62.7	-33.5	-178.9	-66.7	-176.3	80.8	0	0	113.9	L220 P231 L232	L220-M235 HydrophobicContact CD1-SD 4.48Å; P231-M235 WeakPolarHBondContact O-CG 3.1Å; P231-M235 PolarHBondContact O-N 2.6Å; L232-M235 PolarHBondContact O-N 3.39Å
236	C	84.3	Confident	80.7	Confident	37 Å²	37	91.2 Å²	91.2	25%	0.25	43%	0.425	C	S	.	.	H	α-helix	trans	-102.6	-34.1	-169.3	-63.5	0	0	0	0	115	C190 L193 L232 Y234	C190-C236 WeakPolarHBondContact CA-SG 3.23Å; C190-C236 HydrophobicContact CB-CB 3.68Å; C190-C236 WeakPolarHBondContact CB-SG 3.35Å; C190-C236 WeakPolarHBondContact SG-CB 3.47Å; C190-C236 CovalentContact SG-SG 2.03Å; C190-C236 PolarHBondContact SG-SG 3.31Å; L193-C236 HydrophobicContact CD2-CB 4.23Å; L232-C236 WeakPolarHBondContact O-CB 3.46Å; L232-C236 PolarHBondContact O-N 3.23Å; L232-C236 PolarHBondContact O-SG 3.4Å; Y234-C236 VanDerWaalsContact C-N 3.31Å; Y234-C236 PolarHBondContact O-N 3.28Å
237	I	75.1	Confident	80.4	Confident	97 Å²	97	96 Å²	96	50%	0.497	45%	0.445	S	S	.	.	H	α-helix	trans	-99.4	-26.9	-174.8	-58.2	-169.8	0	0	0	111.6	L193 R233 H239	L193-I237 HydrophobicContact CD2-CD1 3.85Å; L193-I237 HydrophobicContact CD2-CG1 3.93Å; R233-I237 HydrophobicContact CG-CB 4.47Å; R233-I237 HydrophobicContact CG-CD1 4.01Å; R233-I237 HydrophobicContact CG-CG1 4.38Å; R233-I237 WeakPolarHBondContact O-CB 3.41Å; R233-I237 PolarHBondContact O-N 3.1Å; I237-H239 PolarHBondContact O-N 3.45Å
238	T	63.5	Low	80.3	Confident	73 Å²	73	93.1 Å²	93.1	45%	0.448	44%	0.44	S	S	.	.	S	Bend	trans	-90.4	6.8	-171.5	71.5	0	0	0	0	115.3	Y234 L240	Y234-T238 HydrophobicContact CD2-CG2 4.2Å; Y234-T238 PolarHBondContact O-N 2.93Å; Y234-T238 PolarHBondContact O-OG1 2.95Å; T238-L240 PolarHBondContact O-N 3.31Å
239	H	56.3	Low	80.3	Confident	152 Å²	152	99 Å²	99	70%	0.704	47%	0.471	S	S	*	.			trans	-95	70.1	172.9	-138.3	-75.6	0	0	0	110.3	I237 D241	I237-H239 PolarHBondContact O-N 3.45Å; H239-D241 PolarHBondContact O-N 2.85Å; H239-D241 VanDerWaalsContact O-N 3.16Å
240	L	60.7	Low	80.5	Confident	67 Å²	67	103.8 Å²	103.8	35%	0.351	50%	0.495	S	S	.	.			trans	-61	116.3	154.3	-93.3	86	0	0	0	105.8	T238 D244 Y245 L248	T238-L240 PolarHBondContact O-N 3.31Å; L240-D244 HydrophobicContact CB-CB 3.93Å; L240-D244 HydrophobicContact CD2-CB 3.85Å; L240-D244 HydrophobicContact CG-CB 3.86Å; L240-Y245 HydrophobicContact CB-CD2 3.88Å; L240-Y245 HydrophobicContact CB-CE2 3.49Å; L240-Y245 VanDerWaalsContact CB-CE2 3.49Å; L240-Y245 WeakPolarHBondContact O-CE2 3.32Å; L240-L248 HydrophobicContact CD2-CD1 3.41Å; L240-L248 VanDerWaalsContact CD2-CD1 3.41Å
241	D	63.4	Low	80.8	Confident	69 Å²	69	101.2 Å²	101.2	37%	0.369	48%	0.481	S	S	.	.			trans	-63.2	159.3	176.6	-166.1	5.1	0	0	0	108.6	H239 K243 D244 Y245	H239-D241 PolarHBondContact O-N 2.85Å; H239-D241 VanDerWaalsContact O-N 3.16Å; D241-K243 PolarHBondContact O-N 3.21Å; D241-D244 PolarHBondContact N-OD2 3.38Å; D241-D244 WeakPolarHBondContact O-CB 3.45Å; D241-D244 PolarHBondContact O-N 2.82Å; D241-Y245 PolarHBondContact O-N 2.98Å
242	H	75.4	Confident	81	Confident	162 Å²	162	101.2 Å²	101.2	75%	0.75	49%	0.488	S	S	*	.	H	α-helix	trans	-54.9	-26.8	176.4	-75.6	-65.4	0	0	0	112	F246	H242-F246 WeakPolarHBondContact O-CB 3.36Å; H242-F246 PolarHBondContact O-N 3.35Å
243	K	76	Confident	81.2	Confident	156 Å²	156	108 Å²	108	68%	0.678	52%	0.517	S	S	*	.	H	α-helix	trans	-66.2	-38.7	172.7	-65.6	179.8	-179.4	170.5	0	113.2	D241 F246 F247	D241-K243 PolarHBondContact O-N 3.21Å; K243-F246 PolarHBondContact O-N 2.95Å; K243-F247 WeakPolarHBondContact O-CB 3.48Å; K243-F247 PolarHBondContact O-N 3.42Å
244	D	79.2	Confident	81.5	Confident	72 Å²	72	102.8 Å²	102.8	39%	0.385	51%	0.51	S	S	.	.	H	α-helix	trans	-70.4	-39.2	179.2	-59.2	-43.6	0	0	0	110.7	L240 D241 F247 L248	L240-D244 HydrophobicContact CB-CB 3.93Å; L240-D244 HydrophobicContact CD2-CB 3.85Å; L240-D244 HydrophobicContact CG-CB 3.86Å; D241-D244 PolarHBondContact N-OD2 3.38Å; D241-D244 WeakPolarHBondContact O-CB 3.45Å; D241-D244 PolarHBondContact O-N 2.82Å; D244-F247 PolarHBondContact O-N 3.16Å; D244-L248 WeakPolarHBondContact O-CB 3.45Å; D244-L248 WeakPolarHBondContact O-CG 3.46Å; D244-L248 PolarHBondContact O-N 3.06Å
245	Y	82.8	Confident	82	Confident	139 Å²	139	100.3 Å²	100.3	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-44	171.6	-78.5	-74.8	0	0	0	112.4	L240 D241 F247 L248 L249	L240-Y245 HydrophobicContact CB-CD2 3.88Å; L240-Y245 HydrophobicContact CB-CE2 3.49Å; L240-Y245 VanDerWaalsContact CB-CE2 3.49Å; L240-Y245 WeakPolarHBondContact O-CE2 3.32Å; D241-Y245 PolarHBondContact O-N 2.98Å; Y245-F247 VanDerWaalsContact C-N 3.33Å; Y245-F247 PolarHBondContact O-N 2.88Å; Y245-L248 PolarHBondContact O-N 3.35Å; Y245-L249 WeakPolarHBondContact O-CB 3.5Å; Y245-L249 PolarHBondContact O-N 2.95Å
246	F	85.9	Confident	82.7	Confident	143 Å²	143	103 Å²	103	63%	0.627	52%	0.516	S	S	*	.	H	α-helix	trans	-62.9	-41.3	176.3	-174.2	-95.1	0	0	0	111.7	H242 K243 L249 L250	H242-F246 WeakPolarHBondContact O-CB 3.36Å; H242-F246 PolarHBondContact O-N 3.35Å; K243-F246 PolarHBondContact O-N 2.95Å; F246-L249 PolarHBondContact O-N 3.44Å; F246-L250 PolarHBondContact O-N 3.49Å
247	F	86.4	Confident	83.2	Confident	119 Å²	119	103.1 Å²	103.1	52%	0.522	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-45.9	176.5	179.2	-105	0	0	0	112.4	K243 D244 Y245 L249 L250 I251	K243-F247 WeakPolarHBondContact O-CB 3.48Å; K243-F247 PolarHBondContact O-N 3.42Å; D244-F247 PolarHBondContact O-N 3.16Å; Y245-F247 VanDerWaalsContact C-N 3.33Å; Y245-F247 PolarHBondContact O-N 2.88Å; F247-L249 VanDerWaalsContact C-N 3.29Å; F247-L249 PolarHBondContact O-N 2.89Å; F247-L250 WeakPolarHBondContact O-CB 3.34Å; F247-L250 PolarHBondContact O-N 2.95Å; F247-I251 HydrophobicContact CD1-CD1 3.77Å; F247-I251 HydrophobicContact CE1-CD1 3.21Å; F247-I251 HydrophobicContact CE1-CG1 4.3Å; F247-I251 HydrophobicContact CE2-CD1 4.13Å; F247-I251 HydrophobicContact CG-CD1 4.44Å; F247-I251 HydrophobicContact CZ-CD1 3.43Å; F247-I251 VanDerWaalsContact CZ-CD1 3.43Å; F247-I251 HydrophobicContact CZ-CG1 4.27Å; F247-I251 WeakPolarHBondContact O-CG1 3.35Å; F247-I251 PolarHBondContact O-N 3.19Å
248	L	87.5	Confident	84.2	Confident	92 Å²	92	101.4 Å²	101.4	48%	0.482	52%	0.52	S	S	.	.	H	α-helix	trans	-61.8	-38.3	175	-74.5	174	0	0	0	112	L240 D244 Y245 I251 G252	L240-L248 HydrophobicContact CD2-CD1 3.41Å; L240-L248 VanDerWaalsContact CD2-CD1 3.41Å; D244-L248 WeakPolarHBondContact O-CB 3.45Å; D244-L248 WeakPolarHBondContact O-CG 3.46Å; D244-L248 PolarHBondContact O-N 3.06Å; Y245-L248 PolarHBondContact O-N 3.35Å; L248-I251 PolarHBondContact O-N 3.41Å; L248-G252 PolarHBondContact O-N 2.91Å
249	L	92.1	Very high	85.8	Confident	123 Å²	123	99.9 Å²	99.9	64%	0.644	52%	0.519	S	S	*	.	H	α-helix	trans	-63.9	-42.4	174.8	-171.6	150.6	0	0	0	111.3	Y245 F246 F247 G252 F253	Y245-L249 WeakPolarHBondContact O-CB 3.5Å; Y245-L249 PolarHBondContact O-N 2.95Å; F246-L249 PolarHBondContact O-N 3.44Å; F247-L249 VanDerWaalsContact C-N 3.29Å; F247-L249 PolarHBondContact O-N 2.89Å; L249-G252 PolarHBondContact O-N 2.93Å; L249-F253 WeakPolarHBondContact O-CB 3.47Å; L249-F253 PolarHBondContact O-N 3.15Å
250	L	94.3	Very high	87.7	Confident	103 Å²	103	96.1 Å²	96.1	54%	0.539	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-45.1	176.7	-165.1	91.1	0	0	0	111.8	F246 F247 F253 G254	F246-L250 PolarHBondContact O-N 3.49Å; F247-L250 WeakPolarHBondContact O-CB 3.34Å; F247-L250 PolarHBondContact O-N 2.95Å; L250-F253 PolarHBondContact O-N 3.46Å; L250-G254 PolarHBondContact O-N 3.41Å
251	I	94.8	Very high	89.4	Confident	70 Å²	70	97 Å²	97	36%	0.359	51%	0.514	S	S	.	.	H	α-helix	trans	-61.8	-46.7	175.4	-70.8	175.6	0	0	0	110.4	F247 L248 F253 G254 I255	F247-I251 HydrophobicContact CD1-CD1 3.77Å; F247-I251 HydrophobicContact CE1-CD1 3.21Å; F247-I251 HydrophobicContact CE1-CG1 4.3Å; F247-I251 HydrophobicContact CE2-CD1 4.13Å; F247-I251 HydrophobicContact CG-CD1 4.44Å; F247-I251 HydrophobicContact CZ-CD1 3.43Å; F247-I251 VanDerWaalsContact CZ-CD1 3.43Å; F247-I251 HydrophobicContact CZ-CG1 4.27Å; F247-I251 WeakPolarHBondContact O-CG1 3.35Å; F247-I251 PolarHBondContact O-N 3.19Å; L248-I251 PolarHBondContact O-N 3.41Å; I251-F253 VanDerWaalsContact C-N 3.33Å; I251-F253 PolarHBondContact O-N 2.92Å; I251-G254 PolarHBondContact O-N 3.37Å; I251-G254 VanDerWaalsContact O-N 3.15Å; I251-I255 HydrophobicContact CG2-CD1 3.67Å; I251-I255 HydrophobicContact CG2-CG1 4.27Å; I251-I255 WeakPolarHBondContact O-CG1 3.38Å; I251-I255 PolarHBondContact O-N 2.87Å
252	G	94.6	Very high	91	Very high	39 Å²	39	96 Å²	96	40%	0.402	52%	0.516	S	S	.	.	H	α-helix	trans	-57.7	-45.3	178.5	0	0	0	0	0	112.1	L248 L249 F256	L248-G252 PolarHBondContact O-N 2.91Å; L249-G252 PolarHBondContact O-N 2.93Å; G252-F256 WeakPolarHBondContact O-CB 3.3Å; G252-F256 PolarHBondContact O-N 2.79Å
253	F	95.8	Very high	92	Very high	144 Å²	144	91.3 Å²	91.3	63%	0.632	51%	0.505	S	S	*	.	H	α-helix	trans	-63.4	-42.6	175	-174.5	-96	0	0	0	112.1	L249 L250 I251 F256 A257	L249-F253 WeakPolarHBondContact O-CB 3.47Å; L249-F253 PolarHBondContact O-N 3.15Å; L250-F253 PolarHBondContact O-N 3.46Å; I251-F253 VanDerWaalsContact C-N 3.33Å; I251-F253 PolarHBondContact O-N 2.92Å; F253-F256 PolarHBondContact O-N 2.93Å; F253-A257 VanDerWaalsContact O-CB 3.3Å; F253-A257 WeakPolarHBondContact O-CB 3.38Å; F253-A257 PolarHBondContact O-N 3.05Å
254	G	95.4	Very high	93	Very high	38 Å²	38	92 Å²	92	39%	0.392	50%	0.504	S	S	.	.	H	α-helix	trans	-61	-46.5	178	0	0	0	0	0	113.1	L250 I251 A257 A258	L250-G254 PolarHBondContact O-N 3.41Å; I251-G254 PolarHBondContact O-N 3.37Å; I251-G254 VanDerWaalsContact O-N 3.15Å; G254-A257 PolarHBondContact O-N 3.37Å; G254-A258 VanDerWaalsContact O-CB 3.3Å; G254-A258 WeakPolarHBondContact O-CB 3.3Å; G254-A258 PolarHBondContact O-N 2.87Å
255	I	95.8	Very high	93.8	Very high	118 Å²	118	92.8 Å²	92.8	61%	0.605	51%	0.507	S	S	*	.	H	α-helix	trans	-63.2	-45.1	177.1	-66	169.6	0	0	0	110.4	I251 A258 G259	I251-I255 HydrophobicContact CG2-CD1 3.67Å; I251-I255 HydrophobicContact CG2-CG1 4.27Å; I251-I255 WeakPolarHBondContact O-CG1 3.38Å; I251-I255 PolarHBondContact O-N 2.87Å; I255-A258 PolarHBondContact O-N 2.96Å; I255-G259 PolarHBondContact O-N 3.49Å
256	F	96.8	Very high	94.5	Very high	151 Å²	151	90.7 Å²	90.7	66%	0.662	51%	0.509	S	S	*	.	H	α-helix	trans	-63.4	-45.3	179.5	-178	-95.9	0	0	0	112.3	G252 F253 G259 T260	G252-F256 WeakPolarHBondContact O-CB 3.3Å; G252-F256 PolarHBondContact O-N 2.79Å; F253-F256 PolarHBondContact O-N 2.93Å; F256-G259 PolarHBondContact O-N 3.46Å; F256-T260 WeakPolarHBondContact O-CB 3.45Å; F256-T260 PolarHBondContact O-N 3.47Å; F256-T260 PolarHBondContact O-OG1 2.95Å
257	A	96.3	Very high	94.9	Very high	38 Å²	38	85.6 Å²	85.6	31%	0.314	50%	0.497	S	S	.	.	H	α-helix	trans	-63.5	-46.5	177.8	0	0	0	0	0	111.5	F253 G254 G259 T260 V261	F253-A257 VanDerWaalsContact O-CB 3.3Å; F253-A257 WeakPolarHBondContact O-CB 3.38Å; F253-A257 PolarHBondContact O-N 3.05Å; G254-A257 PolarHBondContact O-N 3.37Å; A257-G259 PolarHBondContact O-N 3.42Å; A257-T260 PolarHBondContact O-N 3.46Å; A257-V261 WeakPolarHBondContact O-CG2 3.4Å; A257-V261 PolarHBondContact O-N 3.23Å
258	A	96	Very high	95.4	Very high	61 Å²	61	82.4 Å²	82.4	50%	0.504	49%	0.487	S	S	.	.	H	α-helix	trans	-61	-43.8	177	0	0	0	0	0	112	G254 I255 T260 V261 A262	G254-A258 VanDerWaalsContact O-CB 3.3Å; G254-A258 WeakPolarHBondContact O-CB 3.3Å; G254-A258 PolarHBondContact O-N 2.87Å; I255-A258 PolarHBondContact O-N 2.96Å; A258-T260 VanDerWaalsContact C-N 3.33Å; A258-T260 PolarHBondContact O-N 2.97Å; A258-V261 PolarHBondContact O-N 3.41Å; A258-A262 WeakPolarHBondContact O-CB 3.47Å; A258-A262 PolarHBondContact O-N 2.94Å
259	G	96	Very high	95.8	Very high	41 Å²	41	81.9 Å²	81.9	42%	0.423	49%	0.49	S	S	.	.	H	α-helix	trans	-61	-41.5	175.4	0	0	0	0	0	112.6	I255 F256 A257 A262 A263	I255-G259 PolarHBondContact O-N 3.49Å; F256-G259 PolarHBondContact O-N 3.46Å; A257-G259 PolarHBondContact O-N 3.42Å; G259-A262 PolarHBondContact O-N 2.9Å; G259-A263 WeakPolarHBondContact O-CB 3.42Å; G259-A263 PolarHBondContact O-N 2.89Å
260	T	96.6	Very high	95.9	Very high	74 Å²	74	78.3 Å²	78.3	45%	0.454	48%	0.478	S	S	.	.	H	α-helix	trans	-63.2	-45.7	176.9	-56.6	0	0	0	0	111.5	F256 A257 A258 A263 W264	F256-T260 WeakPolarHBondContact O-CB 3.45Å; F256-T260 PolarHBondContact O-N 3.47Å; F256-T260 PolarHBondContact O-OG1 2.95Å; A257-T260 PolarHBondContact O-N 3.46Å; A258-T260 VanDerWaalsContact C-N 3.33Å; A258-T260 PolarHBondContact O-N 2.97Å; T260-A263 PolarHBondContact O-N 2.97Å; T260-W264 WeakPolarHBondContact O-CB 3.41Å; T260-W264 PolarHBondContact O-N 3.4Å
261	V	97.2	Very high	95.9	Very high	84 Å²	84	78 Å²	78	51%	0.509	48%	0.48	S	S	.	.	H	α-helix	trans	-64	-43	177.9	172.6	0	0	0	0	111.1	A257 A258 W264 L265	A257-V261 WeakPolarHBondContact O-CG2 3.4Å; A257-V261 PolarHBondContact O-N 3.23Å; A258-V261 PolarHBondContact O-N 3.41Å; V261-W264 PolarHBondContact O-N 3.46Å; V261-L265 HydrophobicContact CG1-CD1 3.92Å; V261-L265 HydrophobicContact CG1-CG 4.34Å; V261-L265 WeakPolarHBondContact O-CB 3.47Å; V261-L265 WeakPolarHBondContact O-CG 3.35Å; V261-L265 PolarHBondContact O-N 3.48Å
262	A	96.7	Very high	95.7	Very high	50 Å²	50	79.4 Å²	79.4	41%	0.413	49%	0.488	S	S	.	.	H	α-helix	trans	-62.8	-43.5	177.3	0	0	0	0	0	112.1	A258 G259 W264 L265 T266	A258-A262 WeakPolarHBondContact O-CB 3.47Å; A258-A262 PolarHBondContact O-N 2.94Å; G259-A262 PolarHBondContact O-N 2.9Å; A262-W264 VanDerWaalsContact C-N 3.33Å; A262-W264 PolarHBondContact O-N 2.94Å; A262-L265 PolarHBondContact O-N 3.35Å; A262-T266 WeakPolarHBondContact O-CB 3.41Å; A262-T266 WeakPolarHBondContact O-CG2 3.36Å; A262-T266 PolarHBondContact O-N 3.07Å; A262-T266 PolarHBondContact O-OG1 3.31Å
263	A	96.4	Very high	95.6	Very high	62 Å²	62	84.7 Å²	84.7	51%	0.512	50%	0.497	S	S	.	.	H	α-helix	trans	-62.4	-41.1	175.6	0	0	0	0	0	111.9	G259 T260 T266 G267	G259-A263 WeakPolarHBondContact O-CB 3.42Å; G259-A263 PolarHBondContact O-N 2.89Å; T260-A263 PolarHBondContact O-N 2.97Å; A263-T266 WeakPolarHBondContact CA-OG1 3.47Å; A263-T266 PolarHBondContact O-OG1 2.96Å; A263-G267 PolarHBondContact O-N 2.87Å
264	W	97.2	Very high	95.4	Very high	172 Å²	172	84.2 Å²	84.2	65%	0.652	50%	0.497	S	S	*	.	H	α-helix	trans	-64.5	-47.9	176.1	-177.2	80.9	0	0	0	112	T260 V261 A262 T266 G267 V268	T260-W264 WeakPolarHBondContact O-CB 3.41Å; T260-W264 PolarHBondContact O-N 3.4Å; V261-W264 PolarHBondContact O-N 3.46Å; A262-W264 VanDerWaalsContact C-N 3.33Å; A262-W264 PolarHBondContact O-N 2.94Å; W264-T266 PolarHBondContact O-N 3.4Å; W264-G267 PolarHBondContact O-N 2.97Å; W264-V268 HydrophobicContact CD2-CG2 4.12Å; W264-V268 HydrophobicContact CE3-CG2 4.36Å; W264-V268 HydrophobicContact CH2-CG2 4.11Å; W264-V268 HydrophobicContact CZ2-CG2 3.84Å; W264-V268 HydrophobicContact CZ3-CG2 4.36Å; W264-V268 WeakPolarHBondContact O-CG2 3.32Å; W264-V268 PolarHBondContact O-N 3.23Å
265	L	96.6	Very high	95	Very high	88 Å²	88	86.5 Å²	86.5	46%	0.461	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-44.2	178.7	-74.5	172.6	0	0	0	112.3	V261 A262 G267 V268 C269	V261-L265 HydrophobicContact CG1-CD1 3.92Å; V261-L265 HydrophobicContact CG1-CG 4.34Å; V261-L265 WeakPolarHBondContact O-CB 3.47Å; V261-L265 WeakPolarHBondContact O-CG 3.35Å; V261-L265 PolarHBondContact O-N 3.48Å; A262-L265 PolarHBondContact O-N 3.35Å; L265-G267 VanDerWaalsContact C-N 3.32Å; L265-G267 PolarHBondContact O-N 3.37Å; L265-V268 PolarHBondContact O-N 3.06Å; L265-C269 PolarHBondContact O-N 3.45Å; L265-C269 PolarHBondContact O-SG 3.3Å; L265-C269 VanDerWaalsContact O-SG 3.35Å
266	T	95.5	Very high	94.4	Very high	94 Å²	94	85.4 Å²	85.4	58%	0.577	50%	0.499	S	S	*	.	H	α-helix	trans	-62	-40.4	176.6	48.6	0	0	0	0	111.8	A262 A263 W264 C269 A270	A262-T266 WeakPolarHBondContact O-CB 3.41Å; A262-T266 WeakPolarHBondContact O-CG2 3.36Å; A262-T266 PolarHBondContact O-N 3.07Å; A262-T266 PolarHBondContact O-OG1 3.31Å; A263-T266 WeakPolarHBondContact CA-OG1 3.47Å; A263-T266 PolarHBondContact O-OG1 2.96Å; W264-T266 PolarHBondContact O-N 3.4Å; T266-C269 PolarHBondContact O-N 2.9Å; T266-A270 WeakPolarHBondContact O-CB 3.37Å; T266-A270 PolarHBondContact O-N 3.43Å
267	G	96.1	Very high	93.8	Very high	36 Å²	36	86 Å²	86	37%	0.371	50%	0.497	S	S	.	.	H	α-helix	trans	-59.6	-46.3	172.3	0	0	0	0	0	112.9	A263 W264 L265 A270 V271	A263-G267 PolarHBondContact O-N 2.87Å; W264-G267 PolarHBondContact O-N 2.97Å; L265-G267 VanDerWaalsContact C-N 3.32Å; L265-G267 PolarHBondContact O-N 3.37Å; G267-A270 PolarHBondContact O-N 2.88Å; G267-V271 WeakPolarHBondContact O-CG2 3.42Å; G267-V271 PolarHBondContact O-N 3.23Å
268	V	96	Very high	92.9	Very high	53 Å²	53	91.3 Å²	91.3	32%	0.321	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-46.9	177.1	173.4	0	0	0	0	111.2	W264 L265 A270 V271 L272	W264-V268 HydrophobicContact CD2-CG2 4.12Å; W264-V268 HydrophobicContact CE3-CG2 4.36Å; W264-V268 HydrophobicContact CH2-CG2 4.11Å; W264-V268 HydrophobicContact CZ2-CG2 3.84Å; W264-V268 HydrophobicContact CZ3-CG2 4.36Å; W264-V268 WeakPolarHBondContact O-CG2 3.32Å; W264-V268 PolarHBondContact O-N 3.23Å; L265-V268 PolarHBondContact O-N 3.06Å; V268-A270 VanDerWaalsContact C-N 3.29Å; V268-A270 PolarHBondContact O-N 3.35Å; V268-V271 PolarHBondContact O-N 2.88Å; V268-L272 HydrophobicContact CG1-CD1 3.99Å; V268-L272 HydrophobicContact CG1-CG 4.35Å; V268-L272 WeakPolarHBondContact O-CG 3.29Å; V268-L272 PolarHBondContact O-N 2.9Å
269	C	95.5	Very high	92	Very high	81 Å²	81	94.3 Å²	94.3	55%	0.547	51%	0.51	S	S	.	.	H	α-helix	trans	-59.5	-39.8	176.9	-71.3	0	0	0	0	112.2	L265 T266 L272 Y273	L265-C269 PolarHBondContact O-N 3.45Å; L265-C269 PolarHBondContact O-SG 3.3Å; L265-C269 VanDerWaalsContact O-SG 3.35Å; T266-C269 PolarHBondContact O-N 2.9Å; C269-L272 PolarHBondContact O-N 3.36Å; C269-Y273 VanDerWaalsContact O-CB 3.29Å; C269-Y273 WeakPolarHBondContact O-CB 3.43Å; C269-Y273 PolarHBondContact O-N 3.26Å
270	A	93.7	Very high	90.8	Very high	48 Å²	48	94.7 Å²	94.7	40%	0.397	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-43.8	177.1	0	0	0	0	0	112.1	T266 G267 V268 Y273 Q274	T266-A270 WeakPolarHBondContact O-CB 3.37Å; T266-A270 PolarHBondContact O-N 3.43Å; G267-A270 PolarHBondContact O-N 2.88Å; V268-A270 VanDerWaalsContact C-N 3.29Å; V268-A270 PolarHBondContact O-N 3.35Å; A270-Y273 PolarHBondContact O-N 2.94Å; A270-Q274 WeakPolarHBondContact O-CG 3.43Å; A270-Q274 PolarHBondContact O-N 3.4Å
271	V	94.6	Very high	89.1	Confident	95 Å²	95	93.7 Å²	93.7	58%	0.576	50%	0.503	S	S	*	.	H	α-helix	trans	-64	-44.9	176.6	172.7	0	0	0	0	111.1	G267 V268 Q274 N275	G267-V271 WeakPolarHBondContact O-CG2 3.42Å; G267-V271 PolarHBondContact O-N 3.23Å; V268-V271 PolarHBondContact O-N 2.88Å; V271-Q274 PolarHBondContact O-N 3.47Å; V271-N275 WeakPolarHBondContact O-CB 3.38Å; V271-N275 PolarHBondContact O-N 2.93Å
272	L	92.2	Very high	87.4	Confident	100 Å²	100	94.2 Å²	94.2	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-61.6	-45.2	176.6	-70.2	176.1	0	0	0	111.2	V268 C269 Q274 N275 T276	V268-L272 HydrophobicContact CG1-CD1 3.99Å; V268-L272 HydrophobicContact CG1-CG 4.35Å; V268-L272 WeakPolarHBondContact O-CG 3.29Å; V268-L272 PolarHBondContact O-N 2.9Å; C269-L272 PolarHBondContact O-N 3.36Å; L272-Q274 PolarHBondContact O-N 3.49Å; L272-N275 PolarHBondContact O-N 2.88Å; L272-T276 PolarHBondContact O-N 3.46Å; L272-T276 PolarHBondContact O-OG1 2.86Å
273	Y	92.1	Very high	85.6	Confident	150 Å²	150	97 Å²	97	59%	0.588	50%	0.504	S	S	*	.	H	α-helix	trans	-59	-46.4	176.5	177.5	-99.4	0	0	0	112.1	C269 A270 N275 T276 R277	C269-Y273 VanDerWaalsContact O-CB 3.29Å; C269-Y273 WeakPolarHBondContact O-CB 3.43Å; C269-Y273 PolarHBondContact O-N 3.26Å; A270-Y273 PolarHBondContact O-N 2.94Å; Y273-N275 VanDerWaalsContact C-N 3.34Å; Y273-N275 PolarHBondContact O-N 3.42Å; Y273-T276 PolarHBondContact O-N 2.96Å; Y273-R277 VanDerWaalsContact O-CB 3.29Å; Y273-R277 WeakPolarHBondContact O-CB 3.46Å; Y273-R277 PolarHBondContact O-N 2.88Å
274	Q	90.8	Very high	83.8	Confident	135 Å²	135	99.2 Å²	99.2	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-61.7	-42	176.1	-75.1	-179.1	-1.5	0	0	112	A270 V271 L272 R277 R278	A270-Q274 WeakPolarHBondContact O-CG 3.43Å; A270-Q274 PolarHBondContact O-N 3.4Å; V271-Q274 PolarHBondContact O-N 3.47Å; L272-Q274 PolarHBondContact O-N 3.49Å; Q274-R277 PolarHBondContact O-N 3.23Å; Q274-R278 WeakPolarHBondContact O-CB 3.37Å; Q274-R278 PolarHBondContact O-N 3.48Å
275	N	86.9	Confident	81.8	Confident	85 Å²	85	98 Å²	98	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-68.5	-42.1	-179.6	-167	41.8	0	0	0	112.2	V271 L272 Y273 R277 R278 K279	V271-N275 WeakPolarHBondContact O-CB 3.38Å; V271-N275 PolarHBondContact O-N 2.93Å; L272-N275 PolarHBondContact O-N 2.88Å; Y273-N275 VanDerWaalsContact C-N 3.34Å; Y273-N275 PolarHBondContact O-N 3.42Å; N275-R277 VanDerWaalsContact C-N 3.34Å; N275-R278 PolarHBondContact O-N 3.3Å; N275-K279 WeakPolarHBondContact O-CB 3.29Å; N275-K279 PolarHBondContact O-N 3.33Å
276	T	83.1	Confident	79.8	Confident	96 Å²	96	99.4 Å²	99.4	59%	0.589	52%	0.517	S	S	*	.	H	α-helix	trans	-63.6	-41.4	174.9	-46.4	0	0	0	0	111	L272 Y273 K279 S280	L272-T276 PolarHBondContact O-N 3.46Å; L272-T276 PolarHBondContact O-OG1 2.86Å; Y273-T276 PolarHBondContact O-N 2.96Å; T276-K279 PolarHBondContact O-N 2.88Å; T276-S280 PolarHBondContact O-N 2.93Å; T276-S280 PolarHBondContact O-OG 2.72Å
277	R	83.8	Confident	77.8	Confident	164 Å²	164	101.8 Å²	101.8	62%	0.619	52%	0.522	S	S	*	.	H	α-helix	trans	-65.9	-37.3	176.5	-172.4	179.2	175.9	-174.7	-1.3	112.6	Y273 Q274 N275 S280 S281	Y273-R277 VanDerWaalsContact O-CB 3.29Å; Y273-R277 WeakPolarHBondContact O-CB 3.46Å; Y273-R277 PolarHBondContact O-N 2.88Å; Q274-R277 PolarHBondContact O-N 3.23Å; N275-R277 VanDerWaalsContact C-N 3.34Å; R277-S280 WeakPolarHBondContact CA-OG 3.37Å; R277-S280 PolarHBondContact O-OG 3.19Å; R277-S281 PolarHBondContact O-N 2.97Å; R277-S281 VanDerWaalsContact O-N 3.08Å; R277-S281 PolarHBondContact O-OG 2.97Å
278	R	78.8	Confident	75.7	Confident	148 Å²	148	103.1 Å²	103.1	56%	0.558	53%	0.529	S	S	*	.	H	α-helix	trans	-65.2	-41.9	174	-171.1	178.4	73.5	140.7	6.6	111.2	Q274 N275 S281 E282	Q274-R278 WeakPolarHBondContact O-CB 3.37Å; Q274-R278 PolarHBondContact O-N 3.48Å; N275-R278 PolarHBondContact O-N 3.3Å; R278-S281 WeakPolarHBondContact CA-OG 3.44Å; R278-S281 PolarHBondContact O-N 3.03Å; R278-S281 PolarHBondContact O-OG 3.36Å; R278-E282 WeakPolarHBondContact O-CG 3.49Å; R278-E282 PolarHBondContact O-N 3.32Å
279	K	75.8	Confident	73.4	Confident	124 Å²	124	102.9 Å²	102.9	54%	0.539	54%	0.537	S	S	.	.	H	α-helix	trans	-66	-40.7	177.9	-164.6	179.3	179.7	-166.8	0	112.2	N275 T276 S281 E282 E283	N275-K279 WeakPolarHBondContact O-CB 3.29Å; N275-K279 PolarHBondContact O-N 3.33Å; T276-K279 PolarHBondContact O-N 2.88Å; K279-S281 VanDerWaalsContact C-N 3.34Å; K279-S281 PolarHBondContact O-N 3.46Å; K279-E282 PolarHBondContact O-N 3.29Å; K279-E283 VanDerWaalsContact CE-OE1 3.32Å; K279-E283 WeakPolarHBondContact CE-OE1 3.43Å; K279-E283 IonicContact NZ-OE1 3.94Å; K279-E283 WeakPolarHBondContact O-CG 3.46Å; K279-E283 PolarHBondContact O-N 2.89Å
280	S	70.4	Confident	71	Confident	49 Å²	49	104.3 Å²	104.3	34%	0.343	54%	0.544	S	S	.	.	H	α-helix	trans	-64.7	-37.5	174.4	63.8	0	0	0	0	112.1	T276 R277 E283 D284	T276-S280 PolarHBondContact O-N 2.93Å; T276-S280 PolarHBondContact O-OG 2.72Å; R277-S280 WeakPolarHBondContact CA-OG 3.37Å; R277-S280 PolarHBondContact O-OG 3.19Å; S280-E283 PolarHBondContact O-N 3.12Å; S280-D284 WeakPolarHBondContact O-CB 3.32Å; S280-D284 PolarHBondContact O-N 3.08Å
281	S	62.8	Low	68.5	Low	54 Å²	54	113.1 Å²	113.1	38%	0.378	57%	0.566	S	S	.	*	H	α-helix	trans	-67.9	-32.5	175	52.9	0	0	0	0	113.6	R277 R278 K279 E285	R277-S281 PolarHBondContact O-N 2.97Å; R277-S281 VanDerWaalsContact O-N 3.08Å; R277-S281 PolarHBondContact O-OG 2.97Å; R278-S281 WeakPolarHBondContact CA-OG 3.44Å; R278-S281 PolarHBondContact O-N 3.03Å; R278-S281 PolarHBondContact O-OG 3.36Å; K279-S281 VanDerWaalsContact C-N 3.34Å; K279-S281 PolarHBondContact O-N 3.46Å; S281-E285 WeakPolarHBondContact O-CG 3.45Å; S281-E285 PolarHBondContact O-N 3.19Å
282	E	61.3	Low	66	Low	94 Å²	94	114.3 Å²	114.3	44%	0.439	57%	0.574	S	S	.	*	H	α-helix	trans	-69.7	-40.4	173	-73	169.2	-178.8	0	0	110.8	R278 K279 E285 D286	R278-E282 WeakPolarHBondContact O-CG 3.49Å; R278-E282 PolarHBondContact O-N 3.32Å; K279-E282 PolarHBondContact O-N 3.29Å; E282-E285 PolarHBondContact O-N 3.49Å; E282-D286 PolarHBondContact O-N 3.15Å; E282-D286 VanDerWaalsContact O-N 3.12Å
283	E	58.7	Low	63.4	Low	109 Å²	109	117.7 Å²	117.7	51%	0.509	59%	0.587	S	S	.	*	H	α-helix	trans	-67	-36.7	175.4	-72.3	172	-173.6	0	0	112.6	K279 S280 D286 E287	K279-E283 VanDerWaalsContact CE-OE1 3.32Å; K279-E283 WeakPolarHBondContact CE-OE1 3.43Å; K279-E283 IonicContact NZ-OE1 3.94Å; K279-E283 WeakPolarHBondContact O-CG 3.46Å; K279-E283 PolarHBondContact O-N 2.89Å; S280-E283 PolarHBondContact O-N 3.12Å; E283-D286 PolarHBondContact O-N 3.07Å; E283-E287 PolarHBondContact O-N 3.39Å; E283-E287 VanDerWaalsContact O-N 3.07Å
284	D	57.5	Low	61	Low	108 Å²	108	117.1 Å²	117.1	58%	0.578	60%	0.599	S	S	*	*	H	α-helix	trans	-67	-33.9	174.3	-72.1	-33.1	0	0	0	112.3	S280 A288	S280-D284 WeakPolarHBondContact O-CB 3.32Å; S280-D284 PolarHBondContact O-N 3.08Å; D284-A288 WeakPolarHBondContact O-CB 3.45Å; D284-A288 PolarHBondContact O-N 3.35Å; D284-A288 VanDerWaalsContact O-N 3.15Å
285	E	55.1	Low	58.4	Low	146 Å²	146	116.2 Å²	116.2	68%	0.682	61%	0.607	S	S	*	*	H	α-helix	trans	-71	-36	174.4	-77.7	-175.6	-179.2	0	0	112.1	S281 E282 A288 G289	S281-E285 WeakPolarHBondContact O-CG 3.45Å; S281-E285 PolarHBondContact O-N 3.19Å; E282-E285 PolarHBondContact O-N 3.49Å; E285-A288 PolarHBondContact O-N 3.4Å; E285-G289 PolarHBondContact O-N 2.83Å
286	D	54.5	Low	55.8	Low	119 Å²	119	124 Å²	124	64%	0.636	63%	0.63	S	S	*	*	H	α-helix	trans	-70.9	-36.7	176.3	-74.9	-28.6	0	0	0	112.8	E282 E283 G289 T290	E282-D286 PolarHBondContact O-N 3.15Å; E282-D286 VanDerWaalsContact O-N 3.12Å; E283-D286 PolarHBondContact O-N 3.07Å; D286-G289 PolarHBondContact O-N 3.22Å; D286-T290 PolarHBondContact O-N 3.38Å; D286-T290 PolarHBondContact O-OG1 3.02Å
287	E	53.6	Low	53.6	Low	144 Å²	144	130.7 Å²	130.7	67%	0.673	65%	0.645	S	S	*	*	H	α-helix	trans	-69.5	-32.3	172	-91.9	-163.4	161	0	0	112.7	E283 T290	E283-E287 PolarHBondContact O-N 3.39Å; E283-E287 VanDerWaalsContact O-N 3.07Å; E287-T290 PolarHBondContact O-OG1 3.42Å
288	A	51.6	Low	51.2	Low	63 Å²	63	130.3 Å²	130.3	52%	0.521	65%	0.653	S	S	.	*	H	α-helix	trans	-70.1	-33.9	172.4	0	0	0	0	0	112.2	D284 E285	D284-A288 WeakPolarHBondContact O-CB 3.45Å; D284-A288 PolarHBondContact O-N 3.35Å; D284-A288 VanDerWaalsContact O-N 3.15Å; E285-A288 PolarHBondContact O-N 3.4Å
289	G	49.5	Very low	49	Very low	48 Å²	48	132.6 Å²	132.6	50%	0.495	67%	0.668	S	S	.	*	H	α-helix	trans	-67.7	-32.9	175	0	0	0	0	0	114.1	E285 D286	E285-G289 PolarHBondContact O-N 2.83Å; D286-G289 PolarHBondContact O-N 3.22Å
290	T	44.7	Very low	47.8	Very low	112 Å²	112	131.5 Å²	131.5	69%	0.687	67%	0.673	S	S	*	*	H	α-helix	trans	-81.2	-17.6	-179	19.9	0	0	0	0	114.2	D286 E287	D286-T290 PolarHBondContact O-N 3.38Å; D286-T290 PolarHBondContact O-OG1 3.02Å; E287-T290 PolarHBondContact O-OG1 3.42Å
291	R	41.6	Very low	45.8	Very low	232 Å²	232	135.2 Å²	135.2	88%	0.875	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-2.8	179.6	-119.2	179.9	-172.2	-179.6	5.3	115.1
292	V	41.7	Very low	44.3	Very low	120 Å²	120	140.7 Å²	140.7	73%	0.727	71%	0.713	S	S	*	*	S	Bend	trans	-103.3	-9.4	-174.1	-178.9	0	0	0	0	113.7	V294	V292-V294 PolarHBondContact O-N 3.43Å
293	E	37.9	Very low	42.8	Very low	172 Å²	172	141.7 Å²	141.7	80%	0.804	73%	0.726	S	S	*	*			trans	-98.7	38.5	-174.4	-78.9	-170.5	148.3	0	0	116
294	V	40.1	Very low	41.5	Very low	138 Å²	138	141.6 Å²	141.6	84%	0.836	74%	0.738	S	S	*	*	S	Bend	trans	-141.3	66	161	-166	0	0	0	0	111.3	V292	V292-V294 PolarHBondContact O-N 3.43Å
295	S	37.1	Very low	40.2	Very low	115 Å²	115	141 Å²	141	80%	0.804	74%	0.742	S	S	*	*	S	Bend	trans	-173.8	129	140	-93.7	0	0	0	0	113
296	R	33.3	Very low	39.2	Very low	250 Å²	250	140 Å²	140	94%	0.943	75%	0.745	S	S	*	*			trans	90.8	91.7	151.2	-118.8	174	-164.1	172.5	3.9	118.2
297	R	35.7	Very low	38.2	Very low	236 Å²	236	141.5 Å²	141.5	89%	0.891	75%	0.749	S	S	*	*			trans	-84.7	137.9	136.9	-75.3	-172	-170.9	-175.9	3.9	109.2
298	I	34.3	Very low	37.3	Very low	155 Å²	155	142.3 Å²	142.3	80%	0.795	75%	0.752	S	S	*	*			trans	153.8	94.6	131.9	-72	156	0	0	0	109.4
299	F	31.5	Very low	36.5	Very low	197 Å²	197	148.7 Å²	148.7	86%	0.864	77%	0.769	S	S	*	*				52.9	159.9	127.8	-86.9	-61.2	0	0	0	123.1
300	P	52	Low	36.7	Very low	100 Å²	100	151.1 Å²	151.1	65%	0.649	78%	0.775	S	S	*	*				-117.3	175.7	-117.9	43.1	-29.3	0	0	0	113.9
301	T	27.7	Very low	36.7	Very low	127 Å²	127	154.2 Å²	154.2	78%	0.779	78%	0.782	S	S	*	*			trans	168.8	115.3	143.6	26.3	0	0	0	0	108.4
302	Q	30.8	Very low	36.4	Very low	169 Å²	169	150.6 Å²	150.6	79%	0.79	78%	0.78	S	S	*	*				79.5	136.5	94	-141.6	-171.9	6.2	0	0	114.9
303	T	30.8	Very low	36.4	Very low	115 Å²	115	155.7 Å²	155.7	71%	0.706	80%	0.8	S	S	*	*			trans	83.6	122.3	157.5	42	0	0	0	0	121.2
304	S	30.2	Very low	36.4	Very low	108 Å²	108	154.9 Å²	154.9	76%	0.755	80%	0.8	S	S	*	*			trans	64.2	138.6	139.8	57.8	0	0	0	0	117.5
305	S	31.3	Very low	36.2	Very low	95 Å²	95	155.8 Å²	155.8	66%	0.664	80%	0.798	S	S	*	*			cis	171.6	144.2	8.8	42.1	0	0	0	0	104.6
306	V	33.7	Very low	36.1	Very low	124 Å²	124	158.1 Å²	158.1	75%	0.752	80%	0.798	S	S	*	*			trans	69	123.6	146.5	-178.9	0	0	0	0	113.8
307	Q	33.3	Very low	36.3	Very low	152 Å²	152	152.6 Å²	152.6	71%	0.71	79%	0.789	S	S	*	*				-176	141.7	57.2	-150.9	151.1	-12.9	0	0	110.5
308	E	34.1	Very low	36.3	Very low	160 Å²	160	147.4 Å²	147.4	75%	0.748	78%	0.783	S	S	*	*			trans	24.7	119.2	145.3	-64.9	164.7	139.1	0	0	121.8
309	F	35.3	Very low	36.5	Very low	198 Å²	198	146.9 Å²	146.9	87%	0.868	78%	0.782	S	S	*	*				4.9	169.6	122.7	-80	-76.8	0	0	0	120.4
310	P	53.5	Low	36.8	Very low	98 Å²	98	143.4 Å²	143.4	64%	0.636	78%	0.776	S	S	*	*			cis	-136.4	173.5	-16.8	28.6	-6.1	0	0	0	114.9
311	Q	44.6	Very low	35.6	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	79%	0.786	S	S	*	*			trans	27.7	143.3	141.1	-63.7	-176	-26.6	0	0	121.7
312	L	35	Very low	36.3	Very low	156 Å²	156	148.3 Å²	148.3	82%	0.817	79%	0.787	S	S	*	*				-162.2	122	119.1	-94.9	137.8	0	0	0	111.1
313	I	43.1	Very low	36.8	Very low	227 Å²	227	146.5 Å²	146.5	100%	1.164	79%	0.787	S	S	*	*			trans	64.1	0	144.7	-55.8	166.8	0	0	0	118.3

Retrieved 313 of 313 residues in 89.6 ms (Link to these results)

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