A0A096NCW5_PAPAN Loading...

Amphoterin-induced protein 2

AlphaFold DB (G7PHN7), UniProt , Accession A0A096NCW5, Species PAPAN (Papio anubis, Olive baboon), Gene AMIGO2, Length 521 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	37.3	Very low	31	Very low	246 Å²	246	159.5 Å²	159.5	100%	1.212	85%	0.846	S	S	*	*				0	111.1	0	-74.6	162.9	88.3	0	0	108.2
2	S	26.6	Very low	30.9	Very low	116 Å²	116	160.3 Å²	160.3	81%	0.811	85%	0.85	S	S	*	*			trans	-166	97.2	162.5	175.4	0	0	0	0	106.2
3	L	26	Very low	30.9	Very low	159 Å²	159	154.2 Å²	154.2	83%	0.832	85%	0.849	S	S	*	*			trans	-77.2	131.3	173.9	-85.5	108.2	0	0	0	109.3	V5	L3-V5 HydrophobicContact CD2-CG2 4.37Å
4	R	26.5	Very low	30.9	Very low	233 Å²	233	150.4 Å²	150.4	88%	0.879	85%	0.848	S	S	*	*			trans	-115.1	115.8	155.1	-89.1	-173.2	178.9	-177.3	0.1	107.9
5	V	31	Very low	30.8	Very low	107 Å²	107	150.3 Å²	150.3	65%	0.648	85%	0.852	S	S	*	*			trans	-93.8	124.7	176.1	174.9	0	0	0	0	107.4	L3 T7	L3-V5 HydrophobicContact CD2-CG2 4.37Å; V5-T7 HydrophobicContact CG1-CG2 4.04Å
6	H	30.8	Very low	30.8	Very low	184 Å²	184	155.4 Å²	155.4	85%	0.852	85%	0.853	S	S	*	*			trans	-114.3	115.1	161.3	-85.5	-59	0	0	0	108.3
7	T	32.9	Very low	31.6	Very low	119 Å²	119	153.6 Å²	153.6	73%	0.73	85%	0.85	S	S	*	*			trans	-93.3	132.9	170	45.5	0	0	0	0	109.8	V5	V5-T7 HydrophobicContact CG1-CG2 4.04Å
8	L	31.1	Very low	31.4	Very low	173 Å²	173	149.1 Å²	149.1	91%	0.906	85%	0.845	S	S	*	*			trans	-140	160.4	157.5	-124	93.9	0	0	0	108.2
9	P	34.8	Very low	31.4	Very low	112 Å²	112	147.9 Å²	147.9	73%	0.727	85%	0.846	S	S	*	*				-105.7	165.3	-128.8	10.7	13.3	0	0	0	113.3
10	T	31.7	Very low	31.7	Very low	128 Å²	128	152 Å²	152	79%	0.785	85%	0.847	S	S	*	*			trans	-48	137.2	171.6	47	0	0	0	0	115.1
11	L	32	Very low	32.3	Very low	177 Å²	177	152.8 Å²	152.8	93%	0.927	84%	0.844	S	S	*	*			trans	-126.9	132.2	145.8	-140.5	92.6	0	0	0	109.6
12	L	30.7	Very low	32.2	Very low	169 Å²	169	148.6 Å²	148.6	89%	0.885	83%	0.826	S	S	*	*			trans	-65.7	141	-178.9	-92.6	75.1	0	0	0	112.7
13	G	29.9	Very low	32.8	Very low	82 Å²	82	150.9 Å²	150.9	85%	0.845	83%	0.828	S	S	*	*			trans	-167.1	100.1	161.4	0	0	0	0	0	109.6
14	A	31.1	Very low	33.2	Very low	100 Å²	100	149 Å²	149	83%	0.826	83%	0.826	S	S	*	*			trans	-91.3	126.9	-176	0	0	0	0	0	111.6
15	V	29.8	Very low	33.8	Very low	150 Å²	150	144.5 Å²	144.5	91%	0.909	82%	0.819	S	S	*	*			trans	-155.2	128.6	144.7	-175.7	0	0	0	0	109.2
16	R	30.4	Very low	34	Very low	232 Å²	232	146.4 Å²	146.4	88%	0.875	83%	0.825	S	S	*	*			trans	-111.8	172.5	163	-94.1	-175.1	-179.8	-176.2	1	107
17	P	44.6	Very low	34.5	Very low	124 Å²	124	144.9 Å²	144.9	81%	0.805	82%	0.82	S	S	*	*			cis	-136.4	177.1	-17.9	31.4	-10.4	0	0	0	113.4
18	G	29.2	Very low	34.9	Very low	73 Å²	73	145.5 Å²	145.5	75%	0.753	82%	0.818	S	S	*	*			trans	124.8	139.3	144.6	0	0	0	0	0	118.4
19	C	30.5	Very low	35.4	Very low	127 Å²	127	142.3 Å²	142.3	86%	0.858	81%	0.805	S	S	*	*			trans	73.6	94.3	171.2	-74.5	0	0	0	0	116.3
20	R	38.1	Very low	35.7	Very low	229 Å²	229	142.3 Å²	142.3	86%	0.864	80%	0.803	S	S	*	*				76	114.9	74.1	-160	177.9	-179.6	-172.2	-0	110.2
21	E	43.1	Very low	36.1	Very low	169 Å²	169	142 Å²	142	79%	0.79	80%	0.801	S	S	*	*			trans	80.2	96.5	179.1	-51.5	-148.3	171.6	0	0	116.8
22	L	35.6	Very low	36.6	Very low	158 Å²	158	139.3 Å²	139.3	83%	0.827	79%	0.792	S	S	*	*				-166.4	123.3	111.4	-119.1	85.7	0	0	0	108.3	C24	L22-C24 PolarHBondContact O-N 3.27Å
23	L	38.5	Very low	36.9	Very low	163 Å²	163	133.6 Å²	133.6	85%	0.853	77%	0.774	S	S	*	*			trans	-65.5	94	170.4	-136.7	95.2	0	0	0	107.5	L25	L23-L25 PolarHBondContact O-N 2.95Å
24	C	34.7	Very low	37.5	Very low	119 Å²	119	136.2 Å²	136.2	80%	0.804	78%	0.776	S	S	*	*			trans	-69.8	86.6	166.7	-78.5	0	0	0	0	108.3	L22 L26	L22-C24 PolarHBondContact O-N 3.27Å; C24-L26 VanDerWaalsContact C-N 3.32Å; C24-L26 PolarHBondContact O-N 3.33Å
25	L	39.7	Very low	38	Very low	140 Å²	140	134.6 Å²	134.6	73%	0.733	77%	0.769	S	S	*	*			trans	-57.3	102.5	155.5	-91.5	157.5	0	0	0	106.6	L23 M27	L23-L25 PolarHBondContact O-N 2.95Å; L25-M27 PolarHBondContact O-N 2.76Å
26	L	36	Very low	38.9	Very low	147 Å²	147	131.4 Å²	131.4	77%	0.77	76%	0.758	S	S	*	*			trans	-68.5	84.3	171	-148.8	137.6	0	0	0	106.3	C24 I28	C24-L26 VanDerWaalsContact C-N 3.32Å; C24-L26 PolarHBondContact O-N 3.33Å; L26-I28 HydrophobicContact CD2-CG1 3.78Å; L26-I28 PolarHBondContact O-N 2.79Å
27	M	39.7	Very low	40	Very low	152 Å²	152	125.3 Å²	125.3	75%	0.749	75%	0.751	S	S	*	*			trans	-61.4	96.8	163.7	-73.1	-67.4	-75	0	0	105.6	L25 T29	L25-M27 PolarHBondContact O-N 2.76Å; M27-T29 PolarHBondContact O-N 3.23Å
28	I	41.5	Very low	40.8	Very low	132 Å²	132	120.8 Å²	120.8	68%	0.677	73%	0.727	S	S	*	*			trans	-65.1	86.5	161.8	-58.5	172.8	0	0	0	104.6	L26 V30	L26-I28 HydrophobicContact CD2-CG1 3.78Å; L26-I28 PolarHBondContact O-N 2.79Å; I28-V30 HydrophobicContact CG2-CG2 3.89Å; I28-V30 PolarHBondContact O-N 3.29Å
29	T	41.8	Very low	43.1	Very low	106 Å²	106	121.9 Å²	121.9	65%	0.65	72%	0.719	S	S	*	*			trans	-64.9	94.9	158.1	43.8	0	0	0	0	105	M27 T31	M27-T29 PolarHBondContact O-N 3.23Å; T29-T31 PolarHBondContact O-N 2.61Å
30	V	40.9	Very low	45.7	Very low	112 Å²	112	118.2 Å²	118.2	68%	0.679	69%	0.694	S	S	*	*			trans	-62.2	91.9	159.1	179.7	0	0	0	0	104.6	I28 V32	I28-V30 HydrophobicContact CG2-CG2 3.89Å; I28-V30 PolarHBondContact O-N 3.29Å; V30-V32 HydrophobicContact CG1-CG2 3.93Å; V30-V32 PolarHBondContact O-N 3.34Å
31	T	40.3	Very low	48.1	Very low	122 Å²	122	107.7 Å²	107.7	75%	0.748	66%	0.655	S	S	*	*			trans	-66.6	87.5	162.6	44.6	0	0	0	0	105.5	T29 G33	T29-T31 PolarHBondContact O-N 2.61Å; T31-G33 VanDerWaalsContact C-N 3.25Å; T31-G33 PolarHBondContact O-N 3.43Å
32	V	43	Very low	50	Low	119 Å²	119	107.1 Å²	107.1	72%	0.721	66%	0.664	S	S	*	*			trans	-56.8	101.9	159.5	178.9	0	0	0	0	104.4	V30	V30-V32 HydrophobicContact CG1-CG2 3.93Å; V30-V32 PolarHBondContact O-N 3.34Å
33	G	35.7	Very low	52.4	Low	50 Å²	50	101.1 Å²	101.1	52%	0.515	64%	0.637	S	S	.	*			trans	-52	148.2	171.5	0	0	0	0	0	108.7	T31 G35	T31-G33 VanDerWaalsContact C-N 3.25Å; T31-G33 PolarHBondContact O-N 3.43Å; G33-G35 PolarHBondContact O-N 3.49Å
34	P	43.9	Very low	55	Low	136 Å²	136	94 Å²	94	88%	0.883	60%	0.6	S	S	*	*			trans	-73.9	69.6	-176.2	31.8	-33.7	0	0	0	109.9	A36	P34-A36 PolarHBondContact O-N 3.02Å
35	G	41.9	Very low	57.8	Low	66 Å²	66	94.3 Å²	94.3	68%	0.68	59%	0.593	S	S	*	*			trans	-82.8	84.6	165.4	0	0	0	0	0	108	G33 S37	G33-G35 PolarHBondContact O-N 3.49Å; G35-S37 PolarHBondContact O-N 3.25Å; G35-S37 VanDerWaalsContact O-N 3.16Å
36	A	48.1	Very low	60.3	Low	83 Å²	83	89.5 Å²	89.5	69%	0.686	57%	0.57	S	S	*	*			trans	23.2	78.8	166	0	0	0	0	0	115.1	P34 G38	P34-A36 PolarHBondContact O-N 3.02Å; A36-G38 VanDerWaalsContact C-N 3.28Å; A36-G38 PolarHBondContact O-N 3.21Å
37	S	52.8	Low	62.8	Low	105 Å²	105	85.2 Å²	85.2	73%	0.734	56%	0.556	S	S	*	*			trans	-63.5	80.6	176.9	-48.7	0	0	0	0	111.6	G35 V39	G35-S37 PolarHBondContact O-N 3.25Å; G35-S37 VanDerWaalsContact O-N 3.16Å; S37-V39 PolarHBondContact O-N 2.86Å
38	G	61	Low	65.1	Low	28 Å²	28	83.9 Å²	83.9	29%	0.289	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-73.5	116.1	160.4	0	0	0	0	0	108.3	A36 N64	A36-G38 VanDerWaalsContact C-N 3.28Å; A36-G38 PolarHBondContact O-N 3.21Å; G38-N64 WeakPolarHBondContact CA-O 3.3Å
39	V	78.5	Confident	67.5	Low	97 Å²	97	79.5 Å²	79.5	59%	0.588	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-91.2	138.1	178.3	-179.9	0	0	0	0	108.2	S37 P41 N64	S37-V39 PolarHBondContact O-N 2.86Å; V39-P41 WeakPolarHBondContact O-CD 3.07Å; V39-N64 PolarHBondContact N-O 3Å; V39-N64 PolarHBondContact O-ND2 2.86Å
40	C	85.9	Confident	70	Confident	49 Å²	49	78.2 Å²	78.2	33%	0.331	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-58.2	122.8	173.5	-171.2	0	0	0	0	109.9	C44 C46	C40-C44 PolarHBondContact SG-O 2.89Å; C40-C46 VanDerWaalsContact CA-SG 3.53Å; C40-C46 HydrophobicContact CB-CB 3.69Å; C40-C46 WeakPolarHBondContact CB-SG 3.42Å; C40-C46 WeakPolarHBondContact SG-CB 3.1Å; C40-C46 PolarHBondContact SG-N 3.07Å; C40-C46 VanDerWaalsContact SG-N 3.41Å; C40-C46 CovalentContact SG-SG 2.03Å; C40-C46 PolarHBondContact SG-SG 2.89Å
41	P	87.1	Confident	72.5	Confident	8 Å²	8	72.9 Å²	72.9	5%	0.052	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-59.4	141.3	176	-14.9	23.8	0	0	0	110.3	V39 A43 C44 P62 N64 L65	V39-P41 WeakPolarHBondContact O-CD 3.07Å; P41-A43 PolarHBondContact O-N 2.91Å; P41-A43 VanDerWaalsContact O-N 3.13Å; P41-C44 HydrophobicContact CB-CB 4.25Å; P41-C44 HydrophobicContact CG-CB 4.23Å; P41-C44 PolarHBondContact O-N 3.24Å; P41-C44 VanDerWaalsContact O-O 3.06Å; P41-P62 HydrophobicContact CB-CB 4.19Å; P41-P62 HydrophobicContact CG-CB 3.8Å; P41-P62 HydrophobicContact CG-CG 4.27Å; P41-N64 WeakPolarHBondContact CA-ND2 3.2Å; P41-N64 WeakPolarHBondContact CG-OD1 3.47Å; P41-L65 VanDerWaalsContact CD-CD2 3.44Å; P41-L65 HydrophobicContact CG-CD2 3.57Å; P41-L65 HydrophobicContact CG-CG 3.89Å
42	T	84.4	Confident	75.2	Confident	157 Å²	157	68.5 Å²	68.5	96%	0.963	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.4	176.5	52.4	0	0	0	0	112.9	C44	T42-C44 VanDerWaalsContact C-N 3.28Å
43	A	86.1	Confident	77.7	Confident	33 Å²	33	62.9 Å²	62.9	27%	0.273	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.7	173.6	0	0	0	0	0	113.2	P41 K56	P41-A43 PolarHBondContact O-N 2.91Å; P41-A43 VanDerWaalsContact O-N 3.13Å; A43-K56 HydrophobicContact CB-CG 4.38Å; A43-K56 WeakPolarHBondContact O-CD 3.41Å; A43-K56 WeakPolarHBondContact O-CE 3.03Å; A43-K56 WeakPolarHBondContact O-CG 2.98Å
44	C	92.5	Very high	80.5	Confident	12 Å²	12	62.7 Å²	62.7	8%	0.081	42%	0.42	C	S	.	.	S	Bend	trans	-117	157.7	-170.4	-57.3	0	0	0	0	112.1	C40 P41 T42 V51 S52 C53	C40-C44 PolarHBondContact SG-O 2.89Å; P41-C44 HydrophobicContact CB-CB 4.25Å; P41-C44 HydrophobicContact CG-CB 4.23Å; P41-C44 PolarHBondContact O-N 3.24Å; P41-C44 VanDerWaalsContact O-O 3.06Å; T42-C44 VanDerWaalsContact C-N 3.28Å; C44-V51 HydrophobicContact CB-CG1 4.09Å; C44-S52 CarbonylContact C-O 3.44Å; C44-S52 WeakPolarHBondContact CA-O 3.33Å; C44-C53 HydrophobicContact CB-CB 4.08Å; C44-C53 WeakPolarHBondContact CB-SG 3.39Å; C44-C53 WeakPolarHBondContact SG-CB 3.29Å; C44-C53 CovalentContact SG-SG 2.03Å; C44-C53 PolarHBondContact SG-SG 3.26Å
45	I	92.6	Very high	83	Confident	126 Å²	126	61.8 Å²	61.8	65%	0.646	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.6	171.4	-57.9	172	0	0	0	106.9	V51 S52	I45-V51 WeakPolarHBondContact O-CA 3.14Å; I45-S52 PolarHBondContact N-O 2.94Å; I45-S52 PolarHBondContact O-N 2.93Å
46	C	92.8	Very high	85.5	Confident	39 Å²	39	63.4 Å²	63.4	26%	0.264	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.2	179.4	-50	0	0	0	0	110.2	C40 V51 F66	C40-C46 VanDerWaalsContact CA-SG 3.53Å; C40-C46 HydrophobicContact CB-CB 3.69Å; C40-C46 WeakPolarHBondContact CB-SG 3.42Å; C40-C46 WeakPolarHBondContact SG-CB 3.1Å; C40-C46 PolarHBondContact SG-N 3.07Å; C40-C46 VanDerWaalsContact SG-N 3.41Å; C40-C46 CovalentContact SG-SG 2.03Å; C40-C46 PolarHBondContact SG-SG 2.89Å; C46-V51 HydrophobicContact CB-CG2 4.19Å; C46-F66 HydrophobicContact CB-CE1 4.1Å
47	A	89.2	Confident	87.7	Confident	57 Å²	57	63.9 Å²	63.9	47%	0.471	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	107.5	173.4	0	0	0	0	0	108	D49 I50	A47-D49 PolarHBondContact O-N 2.84Å; A47-I50 PolarHBondContact N-O 2.04Å; A47-I50 WeakPolarHBondContact O-CA 3.43Å; A47-I50 PolarHBondContact O-N 2.89Å
48	T	88	Confident	89.6	Confident	124 Å²	124	60.3 Å²	60.3	76%	0.761	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	-95.7	-177.1	55.8	0	0	0	0	113.9	F66	T48-F66 VanDerWaalsContact O-CE2 3.24Å; T48-F66 WeakPolarHBondContact O-CE2 3.31Å; T48-F66 VanDerWaalsContact O-CZ 3.25Å; T48-F66 WeakPolarHBondContact O-CZ 3.29Å
49	D	91	Very high	91.1	Very high	40 Å²	40	62.9 Å²	62.9	21%	0.214	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	8.1	-176.8	58.2	-19	0	0	0	112.6	A47 I69 K70 R71	A47-D49 PolarHBondContact O-N 2.84Å; D49-I69 WeakPolarHBondContact O-CG2 3.49Å; D49-K70 HydrophobicContact CB-CB 4.22Å; D49-K70 HydrophobicContact CB-CG 4.05Å; D49-K70 PolarHBondContact O-N 3.03Å; D49-K70 WeakPolarHBondContact OD2-CD 3.41Å; D49-K70 VanDerWaalsContact OD2-CE 3.29Å; D49-K70 WeakPolarHBondContact OD2-CE 3.45Å; D49-K70 WeakPolarHBondContact OD2-CG 3.37Å; D49-K70 IonicContact OD2-NZ 3.4Å; D49-K70 PolarHBondContact OD2-NZ 2.83Å; D49-R71 PolarHBondContact O-N 3.47Å; D49-R71 VanDerWaalsContact O-N 3.13Å
50	I	93.7	Very high	91.7	Very high	79 Å²	79	62.5 Å²	62.5	41%	0.405	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.5	175.8	-54.2	177.7	0	0	0	108.5	A47 R71	A47-I50 PolarHBondContact N-O 2.04Å; A47-I50 WeakPolarHBondContact O-CA 3.43Å; A47-I50 PolarHBondContact O-N 2.89Å; I50-R71 WeakPolarHBondContact CA-O 3.41Å; I50-R71 HydrophobicContact CG1-CB 4.27Å; I50-R71 HydrophobicContact CG2-CB 4.32Å; I50-R71 HydrophobicContact CG2-CG 4.33Å
51	V	94.9	Very high	92	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.4	175	176.8	0	0	0	0	109.2	C44 I45 C46 L65 F66 I69 R71 L72 D73	C44-V51 HydrophobicContact CB-CG1 4.09Å; I45-V51 WeakPolarHBondContact O-CA 3.14Å; C46-V51 HydrophobicContact CB-CG2 4.19Å; V51-L65 HydrophobicContact CG1-CD2 3.74Å; V51-L65 HydrophobicContact CG2-CD2 4.32Å; V51-F66 HydrophobicContact CG2-CE1 3.73Å; V51-F66 HydrophobicContact CG2-CZ 3.61Å; V51-I69 HydrophobicContact CB-CD1 4.22Å; V51-I69 HydrophobicContact CB-CG2 4.4Å; V51-I69 HydrophobicContact CG2-CD1 3.55Å; V51-I69 HydrophobicContact CG2-CG1 3.73Å; V51-I69 HydrophobicContact CG2-CG2 4.2Å; V51-R71 PolarHBondContact N-O 3.34Å; V51-L72 HydrophobicContact CB-CD1 3.88Å; V51-L72 HydrophobicContact CG1-CD1 3.79Å; V51-L72 WeakPolarHBondContact O-CA 3.15Å; V51-D73 PolarHBondContact O-N 2.83Å
52	S	95.9	Very high	92.1	Very high	31 Å²	31	61.2 Å²	61.2	22%	0.217	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.7	175.1	-174	0	0	0	0	110.3	C44 I45 T54	C44-S52 CarbonylContact C-O 3.44Å; C44-S52 WeakPolarHBondContact CA-O 3.33Å; I45-S52 PolarHBondContact N-O 2.94Å; I45-S52 PolarHBondContact O-N 2.93Å; S52-T54 WeakPolarHBondContact OG-CG2 3.12Å
53	C	95.1	Very high	92.1	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.333	C	S	.	.			trans	-122.6	44	-178.6	-58.3	0	0	0	0	109.8	C44 L58 D73 L74 N77	C44-C53 HydrophobicContact CB-CB 4.08Å; C44-C53 WeakPolarHBondContact CB-SG 3.39Å; C44-C53 WeakPolarHBondContact SG-CB 3.29Å; C44-C53 CovalentContact SG-SG 2.03Å; C44-C53 PolarHBondContact SG-SG 3.26Å; C53-L58 HydrophobicContact CB-CD1 3.77Å; C53-D73 PolarHBondContact N-O 3.12Å; C53-L74 HydrophobicContact CB-CD2 3.75Å; C53-N77 PolarHBondContact O-ND2 3.37Å
54	T	95.9	Very high	92.1	Very high	46 Å²	46	58 Å²	58	28%	0.282	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	142.1	-171.7	53.7	0	0	0	0	112.8	S52 K56 D73 S75	S52-T54 WeakPolarHBondContact OG-CG2 3.12Å; T54-K56 VanDerWaalsContact O-CE 3.32Å; T54-K56 WeakPolarHBondContact O-CE 3.49Å; T54-K56 WeakPolarHBondContact O-CG 3.36Å; T54-K56 PolarHBondContact O-N 3.39Å; T54-D73 HydrophobicContact CG2-CB 4.48Å; T54-D73 VanDerWaalsContact CG2-CG 3.49Å; T54-D73 WeakPolarHBondContact CG2-OD1 3.18Å; T54-D73 WeakPolarHBondContact CG2-OD2 3.37Å; T54-S75 VanDerWaalsContact CA-O 3.26Å; T54-S75 WeakPolarHBondContact CA-O 3.36Å
55	N	95.2	Very high	91.9	Very high	117 Å²	117	57.7 Å²	57.7	63%	0.626	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	49.2	177.3	-164.6	24.1	0	0	0	114	S75 Y76	N55-S75 PolarHBondContact N-O 3.28Å; N55-Y76 WeakPolarHBondContact CA-O 3.41Å; N55-Y76 PolarHBondContact N-O 3.32Å
56	K	94.2	Very high	91.6	Very high	101 Å²	101	53.5 Å²	53.5	44%	0.439	31%	0.313	S	S	.	.	S	Bend	trans	-117.2	9.7	-177.6	-58.9	-60.7	168.7	174.9	0	113.7	A43 T54 L58 N77	A43-K56 HydrophobicContact CB-CG 4.38Å; A43-K56 WeakPolarHBondContact O-CD 3.41Å; A43-K56 WeakPolarHBondContact O-CE 3.03Å; A43-K56 WeakPolarHBondContact O-CG 2.98Å; T54-K56 VanDerWaalsContact O-CE 3.32Å; T54-K56 WeakPolarHBondContact O-CE 3.49Å; T54-K56 WeakPolarHBondContact O-CG 3.36Å; T54-K56 PolarHBondContact O-N 3.39Å; K56-L58 HydrophobicContact CB-CD1 4.04Å; K56-L58 HydrophobicContact CB-CD2 4.38Å; K56-L58 HydrophobicContact CB-CG 3.8Å; K56-L58 PolarHBondContact O-N 3.25Å; K56-N77 WeakPolarHBondContact CA-OD1 3.45Å; K56-N77 PolarHBondContact N-OD1 2.92Å
57	N	94.3	Very high	91.3	Very high	92 Å²	92	59.7 Å²	59.7	49%	0.492	33%	0.331	S	S	.	.			trans	54	30.3	-176.9	-63.4	-45.3	0	0	0	113.7	N77 R78	N57-N77 PolarHBondContact N-OD1 2.7Å; N57-N77 VanDerWaalsContact N-OD1 3.09Å; N57-R78 VanDerWaalsContact OD1-CZ 3.24Å; N57-R78 PolarHBondContact OD1-NE 3.02Å; N57-R78 PolarHBondContact OD1-NH2 3.37Å
58	L	92.8	Very high	91.3	Very high	30 Å²	30	62 Å²	62	16%	0.157	34%	0.335	C	S	.	.			trans	-70.6	141.6	-178.4	-61.8	169.9	0	0	0	111.1	C53 K56 P62 L74 N77 R78 I79	C53-L58 HydrophobicContact CB-CD1 3.77Å; K56-L58 HydrophobicContact CB-CD1 4.04Å; K56-L58 HydrophobicContact CB-CD2 4.38Å; K56-L58 HydrophobicContact CB-CG 3.8Å; K56-L58 PolarHBondContact O-N 3.25Å; L58-P62 HydrophobicContact CD1-CG 4.32Å; L58-P62 HydrophobicContact CD2-CG 4.43Å; L58-L74 HydrophobicContact CD1-CD2 3.92Å; L58-N77 HydrophobicContact CB-CB 4.2Å; L58-N77 PolarHBondContact N-OD1 3.46Å; L58-R78 CarbonylContact O-C 3.26Å; L58-R78 VanDerWaalsContact O-C 3.27Å; L58-R78 WeakPolarHBondContact O-CA 3.3Å; L58-R78 PolarHBondContact O-N 2.98Å; L58-I79 PolarHBondContact O-N 3.39Å
59	S	92.6	Very high	91.5	Very high	82 Å²	82	56.1 Å²	56.1	57%	0.573	30%	0.299	S	S	*	.	S	Bend	trans	-102.7	-22.9	172.1	56.1	0	0	0	0	113.1
60	K	91.7	Very high	91.7	Very high	89 Å²	89	58.9 Å²	58.9	39%	0.387	31%	0.309	S	S	.	.	S	Bend	trans	-144.9	168.4	177.9	-66	-168.4	172.2	-151.3	0	110.1	D83	K60-D83 IonicContact NZ-OD1 3.73Å; K60-D83 IonicContact NZ-OD2 3.08Å; K60-D83 PolarHBondContact NZ-OD2 2.85Å; K60-D83 VanDerWaalsContact NZ-OD2 3.08Å
61	V	91.8	Very high	91.8	Very high	8 Å²	8	58.6 Å²	58.6	5%	0.048	30%	0.303	C	S	.	.			trans	-71.5	133.4	176.6	-179.5	0	0	0	0	110.5	G63 L65 L72 L74 W86 I87 F91	V61-G63 PolarHBondContact O-N 2.91Å; V61-L65 HydrophobicContact CG1-CD1 3.56Å; V61-L72 HydrophobicContact CG1-CD2 4.27Å; V61-L74 HydrophobicContact CG2-CD1 3.62Å; V61-W86 WeakPolarHBondContact CB-O 3.4Å; V61-W86 HydrophobicContact CG2-CE3 3.77Å; V61-W86 HydrophobicContact CG2-CH2 4.4Å; V61-W86 HydrophobicContact CG2-CZ3 3.57Å; V61-W86 PolarHBondContact N-O 3.01Å; V61-I87 HydrophobicContact CB-CG1 4.47Å; V61-I87 HydrophobicContact CG2-CG1 3.78Å; V61-F91 HydrophobicContact CG1-CE2 4.17Å; V61-F91 HydrophobicContact CG1-CZ 4.31Å
62	P	89.6	Confident	91.8	Very high	22 Å²	22	58.7 Å²	58.7	14%	0.143	30%	0.303	C	S	.	.			trans	-59.9	128.4	176.4	-23.8	33.3	0	0	0	112.7	P41 L58 N64 L65	P41-P62 HydrophobicContact CB-CB 4.19Å; P41-P62 HydrophobicContact CG-CB 3.8Å; P41-P62 HydrophobicContact CG-CG 4.27Å; L58-P62 HydrophobicContact CD1-CG 4.32Å; L58-P62 HydrophobicContact CD2-CG 4.43Å; P62-N64 VanDerWaalsContact C-N 3.3Å; P62-N64 WeakPolarHBondContact CB-OD1 3.36Å; P62-N64 PolarHBondContact O-N 3.48Å; P62-L65 HydrophobicContact CB-CD1 4.41Å; P62-L65 HydrophobicContact CB-CG 4.36Å; P62-L65 WeakPolarHBondContact O-CG 3.24Å; P62-L65 PolarHBondContact O-N 3.1Å
63	G	85.3	Confident	91.9	Very high	49 Å²	49	58.7 Å²	58.7	51%	0.505	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14	-173.6	0	0	0	0	0	116.2	V61 L65 V89	V61-G63 PolarHBondContact O-N 2.91Å; G63-L65 VanDerWaalsContact C-N 3.32Å; G63-V89 WeakPolarHBondContact O-CG2 3.5Å
64	N	85.2	Confident	92	Very high	74 Å²	74	58.7 Å²	58.7	40%	0.396	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	3.1	179.9	61.6	-42.2	0	0	0	114	G38 V39 P41 P62	G38-N64 WeakPolarHBondContact CA-O 3.3Å; V39-N64 PolarHBondContact N-O 3Å; V39-N64 PolarHBondContact O-ND2 2.86Å; P41-N64 WeakPolarHBondContact CA-ND2 3.2Å; P41-N64 WeakPolarHBondContact CG-OD1 3.47Å; P62-N64 VanDerWaalsContact C-N 3.3Å; P62-N64 WeakPolarHBondContact CB-OD1 3.36Å; P62-N64 PolarHBondContact O-N 3.48Å
65	L	87.4	Confident	92	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.031	29%	0.29	C	S	.	.			trans	-65.5	140.8	178.5	-75.4	171.5	0	0	0	112.6	P41 V51 V61 P62 G63 I69 L72 F91	P41-L65 VanDerWaalsContact CD-CD2 3.44Å; P41-L65 HydrophobicContact CG-CD2 3.57Å; P41-L65 HydrophobicContact CG-CG 3.89Å; V51-L65 HydrophobicContact CG1-CD2 3.74Å; V51-L65 HydrophobicContact CG2-CD2 4.32Å; V61-L65 HydrophobicContact CG1-CD1 3.56Å; P62-L65 HydrophobicContact CB-CD1 4.41Å; P62-L65 HydrophobicContact CB-CG 4.36Å; P62-L65 WeakPolarHBondContact O-CG 3.24Å; P62-L65 PolarHBondContact O-N 3.1Å; G63-L65 VanDerWaalsContact C-N 3.32Å; L65-I69 HydrophobicContact CB-CD1 4.06Å; L65-I69 HydrophobicContact CD2-CD1 4.09Å; L65-I69 HydrophobicContact CG-CD1 4.48Å; L65-L72 HydrophobicContact CD1-CD1 4.35Å; L65-F91 HydrophobicContact CB-CE1 4.05Å; L65-F91 HydrophobicContact CB-CZ 3.92Å; L65-F91 HydrophobicContact CD1-CZ 4.21Å
66	F	86.6	Confident	92.1	Very high	37 Å²	37	57.3 Å²	57.3	16%	0.162	28%	0.284	C	S	.	.			trans	-73.5	150.6	177.9	56.6	-85.4	0	0	0	112	C46 T48 V51 L68 I69 F91	C46-F66 HydrophobicContact CB-CE1 4.1Å; T48-F66 VanDerWaalsContact O-CE2 3.24Å; T48-F66 WeakPolarHBondContact O-CE2 3.31Å; T48-F66 VanDerWaalsContact O-CZ 3.25Å; T48-F66 WeakPolarHBondContact O-CZ 3.29Å; V51-F66 HydrophobicContact CG2-CE1 3.73Å; V51-F66 HydrophobicContact CG2-CZ 3.61Å; F66-L68 HydrophobicContact CD2-CB 4.33Å; F66-L68 PolarHBondContact O-N 3.35Å; F66-I69 HydrophobicContact CD1-CG1 4.45Å; F66-I69 HydrophobicContact CD2-CD1 4.41Å; F66-I69 HydrophobicContact CD2-CG1 3.62Å; F66-I69 HydrophobicContact CE1-CD1 4.38Å; F66-I69 HydrophobicContact CE1-CG1 4.16Å; F66-I69 HydrophobicContact CE2-CB 4.34Å; F66-I69 HydrophobicContact CE2-CD1 4.29Å; F66-I69 HydrophobicContact CE2-CG1 3.28Å; F66-I69 HydrophobicContact CG-CG1 4.19Å; F66-I69 HydrophobicContact CZ-CD1 4.27Å; F66-I69 HydrophobicContact CZ-CG1 3.58Å; F66-I69 WeakPolarHBondContact O-CD1 3.4Å; F66-I69 VanDerWaalsContact O-CG1 3.28Å; F66-I69 WeakPolarHBondContact O-CG1 3.43Å; F66-F91 WeakPolarHBondContact O-CE1 3.46Å
67	R	86.8	Confident	92.2	Very high	169 Å²	169	52.9 Å²	52.9	64%	0.638	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.3	-170.7	-63.3	-178.1	-177.8	-174.5	-0.7	115.4	I69 V89	R67-I69 VanDerWaalsContact C-N 3.32Å; R67-I69 PolarHBondContact O-N 3.49Å; R67-V89 HydrophobicContact CG-CG1 3.69Å
68	L	88.6	Confident	92.3	Very high	107 Å²	107	55.8 Å²	55.8	56%	0.56	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	10.5	-171.9	-65.4	172.3	0	0	0	114	F66 K93	F66-L68 HydrophobicContact CD2-CB 4.33Å; F66-L68 PolarHBondContact O-N 3.35Å; L68-K93 HydrophobicContact CD2-CD 3.76Å
69	I	92.5	Very high	92.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.262	C	S	.	.			trans	-64.8	133.3	179.7	-59	165.9	0	0	0	110	D49 V51 L65 F66 R67 R71 L72 F91 K93 L94	D49-I69 WeakPolarHBondContact O-CG2 3.49Å; V51-I69 HydrophobicContact CB-CD1 4.22Å; V51-I69 HydrophobicContact CB-CG2 4.4Å; V51-I69 HydrophobicContact CG2-CD1 3.55Å; V51-I69 HydrophobicContact CG2-CG1 3.73Å; V51-I69 HydrophobicContact CG2-CG2 4.2Å; L65-I69 HydrophobicContact CB-CD1 4.06Å; L65-I69 HydrophobicContact CD2-CD1 4.09Å; L65-I69 HydrophobicContact CG-CD1 4.48Å; F66-I69 HydrophobicContact CD1-CG1 4.45Å; F66-I69 HydrophobicContact CD2-CD1 4.41Å; F66-I69 HydrophobicContact CD2-CG1 3.62Å; F66-I69 HydrophobicContact CE1-CD1 4.38Å; F66-I69 HydrophobicContact CE1-CG1 4.16Å; F66-I69 HydrophobicContact CE2-CB 4.34Å; F66-I69 HydrophobicContact CE2-CD1 4.29Å; F66-I69 HydrophobicContact CE2-CG1 3.28Å; F66-I69 HydrophobicContact CG-CG1 4.19Å; F66-I69 HydrophobicContact CZ-CD1 4.27Å; F66-I69 HydrophobicContact CZ-CG1 3.58Å; F66-I69 WeakPolarHBondContact O-CD1 3.4Å; F66-I69 VanDerWaalsContact O-CG1 3.28Å; F66-I69 WeakPolarHBondContact O-CG1 3.43Å; R67-I69 VanDerWaalsContact C-N 3.32Å; R67-I69 PolarHBondContact O-N 3.49Å; I69-R71 VanDerWaalsContact CG2-O 3.23Å; I69-R71 WeakPolarHBondContact CG2-O 3.33Å; I69-L72 HydrophobicContact CG2-CB 4.28Å; I69-F91 HydrophobicContact CD1-CD1 4.35Å; I69-F91 HydrophobicContact CD1-CE1 3.86Å; I69-F91 HydrophobicContact CD1-CZ 4.46Å; I69-K93 CarbonylContact O-C 3.52Å; I69-K93 VanDerWaalsContact O-C 3.29Å; I69-L94 HydrophobicContact CB-CD1 4.36Å; I69-L94 HydrophobicContact CG2-CD1 3.75Å; I69-L94 VanDerWaalsContact O-CA 3.32Å; I69-L94 WeakPolarHBondContact O-CA 3.26Å; I69-L94 PolarHBondContact O-N 2.92Å
70	K	94.9	Very high	92.6	Very high	97 Å²	97	51.6 Å²	51.6	42%	0.422	25%	0.246	S	C	.	.	S	Bend	trans	-100.2	-30.2	171.1	-66.1	-164.7	-161.1	126.1	0	113.1	D49 K93 N95 T96	D49-K70 HydrophobicContact CB-CB 4.22Å; D49-K70 HydrophobicContact CB-CG 4.05Å; D49-K70 PolarHBondContact O-N 3.03Å; D49-K70 WeakPolarHBondContact OD2-CD 3.41Å; D49-K70 VanDerWaalsContact OD2-CE 3.29Å; D49-K70 WeakPolarHBondContact OD2-CE 3.45Å; D49-K70 WeakPolarHBondContact OD2-CG 3.37Å; D49-K70 IonicContact OD2-NZ 3.4Å; D49-K70 PolarHBondContact OD2-NZ 2.83Å; K70-K93 WeakPolarHBondContact CA-O 3.18Å; K70-N95 PolarHBondContact O-N 3.28Å; K70-T96 PolarHBondContact O-N 3.05Å
71	R	96.4	Very high	92.7	Very high	74 Å²	74	51.1 Å²	51.1	28%	0.279	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.2	179.2	-179.9	172.1	179.6	141	-1.9	110.9	D49 I50 V51 I69 T96	D49-R71 PolarHBondContact O-N 3.47Å; D49-R71 VanDerWaalsContact O-N 3.13Å; I50-R71 WeakPolarHBondContact CA-O 3.41Å; I50-R71 HydrophobicContact CG1-CB 4.27Å; I50-R71 HydrophobicContact CG2-CB 4.32Å; I50-R71 HydrophobicContact CG2-CG 4.33Å; V51-R71 PolarHBondContact N-O 3.34Å; I69-R71 VanDerWaalsContact CG2-O 3.23Å; I69-R71 WeakPolarHBondContact CG2-O 3.33Å; R71-T96 WeakPolarHBondContact CA-O 3.11Å; R71-T96 HydrophobicContact CG-CG2 4.23Å
72	L	96	Very high	92.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.6	177.4	180	58.8	0	0	0	109.8	V51 V61 L65 I69 L74 F91 L94 T96 L97 I98	V51-L72 HydrophobicContact CB-CD1 3.88Å; V51-L72 HydrophobicContact CG1-CD1 3.79Å; V51-L72 WeakPolarHBondContact O-CA 3.15Å; V61-L72 HydrophobicContact CG1-CD2 4.27Å; L65-L72 HydrophobicContact CD1-CD1 4.35Å; I69-L72 HydrophobicContact CG2-CB 4.28Å; L72-L74 HydrophobicContact CD1-CG 4.27Å; L72-L74 HydrophobicContact CD2-CD1 3.79Å; L72-L74 HydrophobicContact CD2-CG 4.43Å; L72-L74 HydrophobicContact CG-CD1 3.92Å; L72-L74 HydrophobicContact CG-CG 4.07Å; L72-F91 HydrophobicContact CD2-CE2 4.31Å; L72-L94 HydrophobicContact CB-CD1 3.72Å; L72-L94 HydrophobicContact CB-CD2 4.46Å; L72-T96 PolarHBondContact N-O 2.82Å; L72-L97 HydrophobicContact CB-CD1 4.26Å; L72-L97 HydrophobicContact CD2-CD1 4.14Å; L72-L97 HydrophobicContact CG-CD1 4.24Å; L72-L97 WeakPolarHBondContact O-CA 2.92Å; L72-I98 PolarHBondContact O-N 2.75Å
73	D	97.2	Very high	92.9	Very high	31 Å²	31	51.4 Å²	51.4	17%	0.166	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.5	176.7	-176.9	2.2	0	0	0	110.6	V51 C53 T54 S75 I98	V51-D73 PolarHBondContact O-N 2.83Å; C53-D73 PolarHBondContact N-O 3.12Å; T54-D73 HydrophobicContact CG2-CB 4.48Å; T54-D73 VanDerWaalsContact CG2-CG 3.49Å; T54-D73 WeakPolarHBondContact CG2-OD1 3.18Å; T54-D73 WeakPolarHBondContact CG2-OD2 3.37Å; D73-S75 VanDerWaalsContact OD1-CB 3.23Å; D73-S75 WeakPolarHBondContact OD1-CB 3.49Å; D73-S75 PolarHBondContact OD1-N 3.43Å; D73-S75 PolarHBondContact OD1-OG 2.95Å; D73-I98 HydrophobicContact CB-CB 4.41Å; D73-I98 HydrophobicContact CB-CD1 4.38Å
74	L	96.4	Very high	93.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.246	C	C	.	.			trans	-119.5	26.5	179.6	-71.5	159.7	0	0	0	110.8	C53 L58 V61 L72 N77 I79 W86 L97 I98 L99 N102	C53-L74 HydrophobicContact CB-CD2 3.75Å; L58-L74 HydrophobicContact CD1-CD2 3.92Å; V61-L74 HydrophobicContact CG2-CD1 3.62Å; L72-L74 HydrophobicContact CD1-CG 4.27Å; L72-L74 HydrophobicContact CD2-CD1 3.79Å; L72-L74 HydrophobicContact CD2-CG 4.43Å; L72-L74 HydrophobicContact CG-CD1 3.92Å; L72-L74 HydrophobicContact CG-CG 4.07Å; L74-N77 VanDerWaalsContact C-ND2 3.3Å; L74-N77 PolarHBondContact O-ND2 3.42Å; L74-I79 HydrophobicContact CB-CD1 4.19Å; L74-I79 HydrophobicContact CD1-CD1 4.4Å; L74-W86 HydrophobicContact CD1-CZ3 4.29Å; L74-L97 HydrophobicContact CD1-CD1 4.22Å; L74-I98 WeakPolarHBondContact CA-O 3.42Å; L74-I98 PolarHBondContact N-O 2.82Å; L74-L99 HydrophobicContact CB-CD2 3.91Å; L74-L99 HydrophobicContact CD1-CD2 3.96Å; L74-N102 PolarHBondContact O-ND2 3.44Å
75	S	96.9	Very high	93.1	Very high	9 Å²	9	55 Å²	55	6%	0.063	26%	0.256	C	S	.	.			trans	-65	154.4	-177.7	-52.7	0	0	0	0	113	T54 N55 D73 N77 I98 R100	T54-S75 VanDerWaalsContact CA-O 3.26Å; T54-S75 WeakPolarHBondContact CA-O 3.36Å; N55-S75 PolarHBondContact N-O 3.28Å; D73-S75 VanDerWaalsContact OD1-CB 3.23Å; D73-S75 WeakPolarHBondContact OD1-CB 3.49Å; D73-S75 PolarHBondContact OD1-N 3.43Å; D73-S75 PolarHBondContact OD1-OG 2.95Å; S75-N77 VanDerWaalsContact C-N 3.35Å; S75-N77 PolarHBondContact O-N 3Å; S75-N77 PolarHBondContact O-ND2 2.71Å; S75-I98 WeakPolarHBondContact OG-CG2 3.35Å; S75-R100 CarbonylContact C-O 3.58Å; S75-R100 WeakPolarHBondContact CA-O 3.41Å; S75-R100 WeakPolarHBondContact CB-O 3.32Å
76	Y	96.9	Very high	93.3	Very high	125 Å²	125	54.8 Å²	54.8	49%	0.49	26%	0.255	S	S	.	.	S	Bend	trans	58.7	41.8	177.8	-57.7	-85.3	0	0	0	113.1	N55 R100 H101	N55-Y76 WeakPolarHBondContact CA-O 3.41Å; N55-Y76 PolarHBondContact N-O 3.32Å; Y76-R100 PolarHBondContact N-O 2.81Å; Y76-H101 WeakPolarHBondContact CA-O 3.37Å; Y76-H101 HydrophobicContact CD1-CB 3.59Å; Y76-H101 AromaticContact CD1-CG 3.95Å; Y76-H101 HydrophobicContact CE1-CB 3.74Å; Y76-H101 AromaticContact CE1-CD2 3.3Å; Y76-H101 WeakPolarHBondContact CE1-CD2 3.3Å; Y76-H101 AromaticContact CE1-CG 3.54Å; Y76-H101 AromaticContact CE1-NE2 3.88Å; Y76-H101 AromaticContact CE2-CD2 4Å; Y76-H101 HydrophobicContact CG-CB 4.03Å; Y76-H101 AromaticContact CZ-CD2 3.25Å; Y76-H101 AromaticContact CZ-CG 3.96Å; Y76-H101 AromaticContact CZ-NE2 3.86Å; Y76-H101 PolarHBondContact N-O 2.91Å; Y76-H101 PolarHBondContact OH-CD2 3.06Å; Y76-H101 VanDerWaalsContact OH-CD2 3.26Å; Y76-H101 PolarHBondContact OH-NE2 2.71Å
77	N	97.1	Very high	93.6	Very high	8 Å²	8	53.2 Å²	53.2	4%	0.043	25%	0.248	C	C	.	.	S	Bend	trans	-113.5	-167.1	175.6	-78.8	-61.8	0	0	0	110.9	C53 K56 N57 L58 L74 S75 I79 H101 N102	C53-N77 PolarHBondContact O-ND2 3.37Å; K56-N77 WeakPolarHBondContact CA-OD1 3.45Å; K56-N77 PolarHBondContact N-OD1 2.92Å; N57-N77 PolarHBondContact N-OD1 2.7Å; N57-N77 VanDerWaalsContact N-OD1 3.09Å; L58-N77 HydrophobicContact CB-CB 4.2Å; L58-N77 PolarHBondContact N-OD1 3.46Å; L74-N77 VanDerWaalsContact C-ND2 3.3Å; L74-N77 PolarHBondContact O-ND2 3.42Å; S75-N77 VanDerWaalsContact C-N 3.35Å; S75-N77 PolarHBondContact O-N 3Å; S75-N77 PolarHBondContact O-ND2 2.71Å; N77-I79 HydrophobicContact CB-CG1 4.37Å; N77-H101 PolarHBondContact N-O 2.77Å; N77-N102 VanDerWaalsContact CA-OD1 3.27Å; N77-N102 WeakPolarHBondContact CA-OD1 3.39Å; N77-N102 WeakPolarHBondContact CB-OD1 3.32Å; N77-N102 PolarHBondContact N-OD1 3.04Å; N77-N102 PolarHBondContact O-OD1 3.44Å
78	R	96.5	Very high	93.6	Very high	154 Å²	154	48.4 Å²	48.4	58%	0.581	24%	0.239	S	C	*	.			trans	-118.3	29.4	-177.6	-59.4	-177.5	-170.6	-167.9	1.9	111.7	N57 L58 G80 N102	N57-R78 VanDerWaalsContact OD1-CZ 3.24Å; N57-R78 PolarHBondContact OD1-NE 3.02Å; N57-R78 PolarHBondContact OD1-NH2 3.37Å; L58-R78 CarbonylContact O-C 3.26Å; L58-R78 VanDerWaalsContact O-C 3.27Å; L58-R78 WeakPolarHBondContact O-CA 3.3Å; L58-R78 PolarHBondContact O-N 2.98Å; R78-G80 PolarHBondContact O-N 2.93Å; R78-N102 PolarHBondContact N-OD1 3.24Å
79	I	96	Very high	93.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.			trans	-66.5	123	177.6	-56.2	172.3	0	0	0	107.7	L58 L74 N77 L82 W86 L99 N102 N103 I104	L58-I79 PolarHBondContact O-N 3.39Å; L74-I79 HydrophobicContact CB-CD1 4.19Å; L74-I79 HydrophobicContact CD1-CD1 4.4Å; N77-I79 HydrophobicContact CB-CG1 4.37Å; I79-L82 HydrophobicContact CG2-CD2 3.59Å; I79-W86 HydrophobicContact CD1-CZ3 4.35Å; I79-W86 HydrophobicContact CG2-CE3 4.41Å; I79-L99 HydrophobicContact CD1-CD2 3.77Å; I79-N102 HydrophobicContact CB-CB 4.33Å; I79-N102 WeakPolarHBondContact CB-OD1 3.38Å; I79-N102 WeakPolarHBondContact CG1-OD1 3.32Å; I79-N102 PolarHBondContact N-OD1 3.26Å; I79-N103 CarbonylContact O-C 3.57Å; I79-N103 WeakPolarHBondContact O-CA 3.3Å; I79-N103 PolarHBondContact O-N 3.27Å; I79-I104 HydrophobicContact CB-CG1 4.43Å; I79-I104 HydrophobicContact CG2-CG1 4.25Å; I79-I104 WeakPolarHBondContact O-CG1 3.26Å; I79-I104 PolarHBondContact O-N 2.02Å; I79-I104 VanDerWaalsContact O-N 3.1Å
80	G	94.1	Very high	93.5	Very high	23 Å²	23	47.3 Å²	47.3	24%	0.237	24%	0.239	C	C	.	.			trans	-111.3	-41.5	-173.8	0	0	0	0	0	114.4	R78 N103 I104 T105	R78-G80 PolarHBondContact O-N 2.93Å; G80-N103 WeakPolarHBondContact CA-O 3.04Å; G80-I104 CarbonylContact O-C 3.27Å; G80-I104 VanDerWaalsContact O-CA 3.28Å; G80-I104 WeakPolarHBondContact O-CA 3.48Å; G80-T105 PolarHBondContact O-N 3.23Å; G80-T105 PolarHBondContact O-OG1 2.74Å
81	L	94	Very high	93.4	Very high	80 Å²	80	42.7 Å²	42.7	42%	0.419	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.4	-177.4	-169.2	90.4	0	0	0	108.6	D83 S106	L81-D83 HydrophobicContact CD2-CB 3.84Å; L81-S106 WeakPolarHBondContact CD1-OG 3.38Å
82	L	95.1	Very high	93.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	99.7	164.3	-49	-172.5	0	0	0	106.8	I79 W86 L99 I104 S106 I107 S108 S111 F112 L123	I79-L82 HydrophobicContact CG2-CD2 3.59Å; L82-W86 HydrophobicContact CB-CD2 4.5Å; L82-W86 HydrophobicContact CB-CG 4.43Å; L82-W86 HydrophobicContact CD1-CZ2 4.34Å; L82-W86 HydrophobicContact CD2-CD2 3.61Å; L82-W86 HydrophobicContact CD2-CE3 3.72Å; L82-W86 HydrophobicContact CD2-CG 4.18Å; L82-W86 HydrophobicContact CD2-CH2 4.26Å; L82-W86 HydrophobicContact CD2-CZ2 4.12Å; L82-W86 HydrophobicContact CD2-CZ3 4.07Å; L82-L99 HydrophobicContact CD1-CD1 4.17Å; L82-I104 HydrophobicContact CD1-CD1 4.26Å; L82-I104 HydrophobicContact CD1-CG2 4.38Å; L82-I104 HydrophobicContact CD2-CD1 4.09Å; L82-I104 HydrophobicContact CD2-CG1 4.36Å; L82-I104 HydrophobicContact CG-CD1 4.35Å; L82-I104 HydrophobicContact CG-CG2 4.03Å; L82-S106 PolarHBondContact N-O 3.26Å; L82-I107 HydrophobicContact CB-CG2 4.27Å; L82-I107 HydrophobicContact CD1-CD1 4.45Å; L82-I107 HydrophobicContact CD1-CG1 4.13Å; L82-I107 HydrophobicContact CD1-CG2 4.45Å; L82-S108 WeakPolarHBondContact O-CB 3.44Å; L82-S108 PolarHBondContact O-N 3.39Å; L82-S108 PolarHBondContact O-OG 2.96Å; L82-S108 VanDerWaalsContact O-OG 3.06Å; L82-S111 PolarHBondContact O-OG 3.03Å; L82-F112 HydrophobicContact CD1-CE1 4.25Å; L82-F112 HydrophobicContact CD1-CZ 3.8Å; L82-L123 HydrophobicContact CD1-CD2 4.03Å
83	D	91.9	Very high	93.1	Very high	36 Å²	36	47.1 Å²	47.1	19%	0.193	25%	0.25	C	C	.	.			trans	-95.6	-170.8	171.2	56.9	21.9	0	0	0	109.8	K60 L81 E85 W86 S111	K60-D83 IonicContact NZ-OD1 3.73Å; K60-D83 IonicContact NZ-OD2 3.08Å; K60-D83 PolarHBondContact NZ-OD2 2.85Å; K60-D83 VanDerWaalsContact NZ-OD2 3.08Å; L81-D83 HydrophobicContact CD2-CB 3.84Å; D83-E85 PolarHBondContact O-N 3.4Å; D83-E85 WeakPolarHBondContact OD1-CA 3.47Å; D83-E85 PolarHBondContact OD1-N 2.84Å; D83-W86 WeakPolarHBondContact OD1-CA 3.38Å; D83-W86 WeakPolarHBondContact OD1-CB 3.45Å; D83-W86 PolarHBondContact OD1-N 2.99Å; D83-S111 WeakPolarHBondContact O-CA 3.42Å; D83-S111 WeakPolarHBondContact O-CB 3.38Å; D83-S111 PolarHBondContact O-OG 3.31Å
84	S	87.9	Confident	93	Very high	68 Å²	68	45.6 Å²	45.6	48%	0.476	24%	0.242	S	C	.	.	S	Bend	trans	-73.8	-13.7	174.1	52.7	0	0	0	0	113.6
85	E	86.1	Confident	93	Very high	131 Å²	131	48.2 Å²	48.2	61%	0.612	26%	0.256	S	S	*	.	S	Bend	trans	-110.1	-4.8	-167.6	-65.5	-77.6	153.9	0	0	112.8	D83 I87	D83-E85 PolarHBondContact O-N 3.4Å; D83-E85 WeakPolarHBondContact OD1-CA 3.47Å; D83-E85 PolarHBondContact OD1-N 2.84Å; E85-I87 PolarHBondContact O-N 2.86Å
86	W	92.1	Very high	93.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-67.9	-24.7	-175.2	80.4	-66.4	0	0	0	112.8	V61 L74 I79 L82 D83 L97 L99 S111 F112	V61-W86 WeakPolarHBondContact CB-O 3.4Å; V61-W86 HydrophobicContact CG2-CE3 3.77Å; V61-W86 HydrophobicContact CG2-CH2 4.4Å; V61-W86 HydrophobicContact CG2-CZ3 3.57Å; V61-W86 PolarHBondContact N-O 3.01Å; L74-W86 HydrophobicContact CD1-CZ3 4.29Å; I79-W86 HydrophobicContact CD1-CZ3 4.35Å; I79-W86 HydrophobicContact CG2-CE3 4.41Å; L82-W86 HydrophobicContact CB-CD2 4.5Å; L82-W86 HydrophobicContact CB-CG 4.43Å; L82-W86 HydrophobicContact CD1-CZ2 4.34Å; L82-W86 HydrophobicContact CD2-CD2 3.61Å; L82-W86 HydrophobicContact CD2-CE3 3.72Å; L82-W86 HydrophobicContact CD2-CG 4.18Å; L82-W86 HydrophobicContact CD2-CH2 4.26Å; L82-W86 HydrophobicContact CD2-CZ2 4.12Å; L82-W86 HydrophobicContact CD2-CZ3 4.07Å; D83-W86 WeakPolarHBondContact OD1-CA 3.38Å; D83-W86 WeakPolarHBondContact OD1-CB 3.45Å; D83-W86 PolarHBondContact OD1-N 2.99Å; W86-L97 HydrophobicContact CH2-CD1 4.42Å; W86-L97 HydrophobicContact CH2-CD2 3.9Å; W86-L97 HydrophobicContact CZ2-CD2 4.15Å; W86-L99 HydrophobicContact CH2-CD1 3.65Å; W86-L99 HydrophobicContact CH2-CD2 3.8Å; W86-L99 HydrophobicContact CH2-CG 4.27Å; W86-L99 HydrophobicContact CZ2-CD1 4.27Å; W86-L99 HydrophobicContact CZ3-CD1 4.31Å; W86-L99 HydrophobicContact CZ3-CD2 3.7Å; W86-S111 PolarHBondContact NE1-O 2.86Å; W86-F112 HydrophobicContact CZ2-CD1 4.43Å; W86-F112 HydrophobicContact CZ2-CE1 4.04Å
87	I	92.1	Very high	93.1	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	24%	0.237	C	C	.	.	S	Bend	trans	-106.3	101.9	165.1	-68.6	165.8	0	0	0	107.6	V61 E85 V89 F91 T114 T115	V61-I87 HydrophobicContact CB-CG1 4.47Å; V61-I87 HydrophobicContact CG2-CG1 3.78Å; E85-I87 PolarHBondContact O-N 2.86Å; I87-V89 WeakPolarHBondContact CG2-O 3.47Å; I87-V89 PolarHBondContact O-N 2.89Å; I87-F91 HydrophobicContact CG2-CD2 3.79Å; I87-F91 HydrophobicContact CG2-CE2 3.67Å; I87-T114 WeakPolarHBondContact CG2-OG1 3.38Å; I87-T115 HydrophobicContact CD1-CG2 3.8Å
88	P	87.4	Confident	93.2	Very high	69 Å²	69	43.3 Å²	43.3	45%	0.448	24%	0.238	S	C	.	.			trans	-76.6	-9.2	-177.4	30.6	-36.2	0	0	0	113.7
89	V	87.2	Confident	93.2	Very high	21 Å²	21	36 Å²	36	13%	0.127	21%	0.21	C	C	.	.	S	Bend	trans	-128.2	131.4	-174	-180	0	0	0	0	110	G63 R67 I87 F91	G63-V89 WeakPolarHBondContact O-CG2 3.5Å; R67-V89 HydrophobicContact CG-CG1 3.69Å; I87-V89 WeakPolarHBondContact CG2-O 3.47Å; I87-V89 PolarHBondContact O-N 2.89Å; V89-F91 HydrophobicContact CB-CE1 4.25Å; V89-F91 HydrophobicContact CB-CZ 4.1Å; V89-F91 HydrophobicContact CG1-CD1 4.45Å; V89-F91 HydrophobicContact CG1-CE1 4.09Å; V89-F91 HydrophobicContact CG1-CZ 4.45Å; V89-F91 WeakPolarHBondContact O-CD2 2.98Å; V89-F91 PolarHBondContact O-N 2.93Å
90	S	90.9	Very high	93.3	Very high	62 Å²	62	39.7 Å²	39.7	43%	0.434	22%	0.224	S	C	.	.			trans	-69.2	120	172.7	-179.5	0	0	0	0	111.5	T114	S90-T114 CarbonylContact C-O 3.53Å; S90-T114 WeakPolarHBondContact CA-O 3.46Å; S90-T114 PolarHBondContact OG-O 3.43Å
91	F	93.1	Very high	93.4	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	23%	0.228	C	C	.	.			trans	-104.8	77.2	175.5	-56.1	-67.7	0	0	0	110.6	V61 L65 F66 I69 L72 I87 V89 K93 L94 T114 T115	V61-F91 HydrophobicContact CG1-CE2 4.17Å; V61-F91 HydrophobicContact CG1-CZ 4.31Å; L65-F91 HydrophobicContact CB-CE1 4.05Å; L65-F91 HydrophobicContact CB-CZ 3.92Å; L65-F91 HydrophobicContact CD1-CZ 4.21Å; F66-F91 WeakPolarHBondContact O-CE1 3.46Å; I69-F91 HydrophobicContact CD1-CD1 4.35Å; I69-F91 HydrophobicContact CD1-CE1 3.86Å; I69-F91 HydrophobicContact CD1-CZ 4.46Å; L72-F91 HydrophobicContact CD2-CE2 4.31Å; I87-F91 HydrophobicContact CG2-CD2 3.79Å; I87-F91 HydrophobicContact CG2-CE2 3.67Å; V89-F91 HydrophobicContact CB-CE1 4.25Å; V89-F91 HydrophobicContact CB-CZ 4.1Å; V89-F91 HydrophobicContact CG1-CD1 4.45Å; V89-F91 HydrophobicContact CG1-CE1 4.09Å; V89-F91 HydrophobicContact CG1-CZ 4.45Å; V89-F91 WeakPolarHBondContact O-CD2 2.98Å; V89-F91 PolarHBondContact O-N 2.93Å; F91-K93 PolarHBondContact O-N 3.42Å; F91-K93 VanDerWaalsContact O-N 3.16Å; F91-L94 HydrophobicContact CB-CB 3.67Å; F91-L94 HydrophobicContact CB-CD2 4.24Å; F91-L94 HydrophobicContact CB-CG 4.46Å; F91-L94 HydrophobicContact CD2-CD2 4.4Å; F91-L94 WeakPolarHBondContact O-CB 3.23Å; F91-L94 PolarHBondContact O-N 2.79Å; F91-L94 VanDerWaalsContact O-N 3.17Å; F91-T114 PolarHBondContact N-O 3.28Å; F91-T115 HydrophobicContact CB-CG2 4.28Å; F91-T115 HydrophobicContact CD2-CG2 4.28Å
92	A	91.8	Very high	93.6	Very high	52 Å²	52	38.1 Å²	38.1	43%	0.43	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.9	-178.2	0	0	0	0	0	114.4	N117	A92-N117 PolarHBondContact O-ND2 2.76Å
93	K	93.7	Very high	93.7	Very high	115 Å²	115	41.6 Å²	41.6	50%	0.5	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	3.4	178.7	-64.2	-165.7	179.6	-176.8	0	113.8	L68 I69 K70 F91 N95	L68-K93 HydrophobicContact CD2-CD 3.76Å; I69-K93 CarbonylContact O-C 3.52Å; I69-K93 VanDerWaalsContact O-C 3.29Å; K70-K93 WeakPolarHBondContact CA-O 3.18Å; F91-K93 PolarHBondContact O-N 3.42Å; F91-K93 VanDerWaalsContact O-N 3.16Å; K93-N95 PolarHBondContact O-N 2.96Å; K93-N95 PolarHBondContact O-OD1 2.83Å
94	L	96	Very high	94	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.			trans	-73.5	119.5	-176.4	-167.8	72.7	0	0	0	110.2	I69 L72 F91 L97 T115 N117 L118	I69-L94 HydrophobicContact CB-CD1 4.36Å; I69-L94 HydrophobicContact CG2-CD1 3.75Å; I69-L94 VanDerWaalsContact O-CA 3.32Å; I69-L94 WeakPolarHBondContact O-CA 3.26Å; I69-L94 PolarHBondContact O-N 2.92Å; L72-L94 HydrophobicContact CB-CD1 3.72Å; L72-L94 HydrophobicContact CB-CD2 4.46Å; F91-L94 HydrophobicContact CB-CB 3.67Å; F91-L94 HydrophobicContact CB-CD2 4.24Å; F91-L94 HydrophobicContact CB-CG 4.46Å; F91-L94 HydrophobicContact CD2-CD2 4.4Å; F91-L94 WeakPolarHBondContact O-CB 3.23Å; F91-L94 PolarHBondContact O-N 2.79Å; F91-L94 VanDerWaalsContact O-N 3.17Å; L94-L97 HydrophobicContact CD2-CB 4.21Å; L94-T115 HydrophobicContact CD2-CG2 3.73Å; L94-N117 CarbonylContact O-C 3.28Å; L94-N117 VanDerWaalsContact O-C 3.28Å; L94-L118 HydrophobicContact CB-CD2 4.39Å; L94-L118 HydrophobicContact CD2-CD2 3.88Å; L94-L118 HydrophobicContact CG-CD2 3.83Å; L94-L118 WeakPolarHBondContact O-CA 3.06Å; L94-L118 PolarHBondContact O-N 2.83Å
95	N	97	Very high	94.4	Very high	54 Å²	54	40.2 Å²	40.2	29%	0.289	22%	0.218	S	C	.	.			trans	-102.9	-32.6	179.5	-66.6	-7.7	0	0	0	111.6	K70 K93 K119 C120	K70-N95 PolarHBondContact O-N 3.28Å; K93-N95 PolarHBondContact O-N 2.96Å; K93-N95 PolarHBondContact O-OD1 2.83Å; N95-K119 HydrophobicContact CB-CD 4.39Å; N95-K119 PolarHBondContact O-N 2.94Å; N95-C120 PolarHBondContact O-N 2.91Å
96	T	98	Very high	94.7	Very high	27 Å²	27	36.2 Å²	36.2	17%	0.166	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.5	-174.8	-54.2	0	0	0	0	110.5	K70 R71 L72 I98 C120	K70-T96 PolarHBondContact O-N 3.05Å; R71-T96 WeakPolarHBondContact CA-O 3.11Å; R71-T96 HydrophobicContact CG-CG2 4.23Å; L72-T96 PolarHBondContact N-O 2.82Å; T96-I98 HydrophobicContact CG2-CD1 4.35Å; T96-I98 HydrophobicContact CG2-CG1 4.02Å; T96-C120 WeakPolarHBondContact CA-O 3.45Å; T96-C120 HydrophobicContact CG2-CB 4.22Å
97	L	97.8	Very high	94.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.4	175.8	174.9	59	0	0	0	109.5	L72 L74 W86 L94 L99 F112 L118 C120 L121 D122	L72-L97 HydrophobicContact CB-CD1 4.26Å; L72-L97 HydrophobicContact CD2-CD1 4.14Å; L72-L97 HydrophobicContact CG-CD1 4.24Å; L72-L97 WeakPolarHBondContact O-CA 2.92Å; L74-L97 HydrophobicContact CD1-CD1 4.22Å; W86-L97 HydrophobicContact CH2-CD1 4.42Å; W86-L97 HydrophobicContact CH2-CD2 3.9Å; W86-L97 HydrophobicContact CZ2-CD2 4.15Å; L94-L97 HydrophobicContact CD2-CB 4.21Å; L97-L99 HydrophobicContact CD1-CD2 4.43Å; L97-L99 HydrophobicContact CD1-CG 4.23Å; L97-L99 HydrophobicContact CD2-CD1 4.13Å; L97-L99 HydrophobicContact CG-CD1 4.14Å; L97-L99 HydrophobicContact CG-CG 4.15Å; L97-F112 HydrophobicContact CD2-CE1 4.28Å; L97-L118 HydrophobicContact CB-CD1 4.19Å; L97-L118 HydrophobicContact CB-CD2 3.65Å; L97-L118 HydrophobicContact CD2-CD1 3.99Å; L97-C120 PolarHBondContact N-O 2.79Å; L97-L121 HydrophobicContact CB-CD1 4.14Å; L97-L121 HydrophobicContact CD2-CD1 3.87Å; L97-L121 HydrophobicContact CG-CD1 3.98Å; L97-D122 PolarHBondContact O-N 2.88Å
98	I	98.2	Very high	95	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.062	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.2	-178	-47.6	177.5	0	0	0	109.1	L72 D73 L74 S75 T96 R100 D122	L72-I98 PolarHBondContact O-N 2.75Å; D73-I98 HydrophobicContact CB-CB 4.41Å; D73-I98 HydrophobicContact CB-CD1 4.38Å; L74-I98 WeakPolarHBondContact CA-O 3.42Å; L74-I98 PolarHBondContact N-O 2.82Å; S75-I98 WeakPolarHBondContact OG-CG2 3.35Å; T96-I98 HydrophobicContact CG2-CD1 4.35Å; T96-I98 HydrophobicContact CG2-CG1 4.02Å; I98-R100 HydrophobicContact CG2-CB 4.24Å; I98-D122 HydrophobicContact CG2-CB 4.07Å
99	L	97.4	Very high	95.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.			trans	-123.6	20.8	-179.1	-66.1	164.2	0	0	0	111.8	L74 I79 L82 W86 L97 N102 I104 L121 D122 L123 N126	L74-L99 HydrophobicContact CB-CD2 3.91Å; L74-L99 HydrophobicContact CD1-CD2 3.96Å; I79-L99 HydrophobicContact CD1-CD2 3.77Å; L82-L99 HydrophobicContact CD1-CD1 4.17Å; W86-L99 HydrophobicContact CH2-CD1 3.65Å; W86-L99 HydrophobicContact CH2-CD2 3.8Å; W86-L99 HydrophobicContact CH2-CG 4.27Å; W86-L99 HydrophobicContact CZ2-CD1 4.27Å; W86-L99 HydrophobicContact CZ3-CD1 4.31Å; W86-L99 HydrophobicContact CZ3-CD2 3.7Å; L97-L99 HydrophobicContact CD1-CD2 4.43Å; L97-L99 HydrophobicContact CD1-CG 4.23Å; L97-L99 HydrophobicContact CD2-CD1 4.13Å; L97-L99 HydrophobicContact CG-CD1 4.14Å; L97-L99 HydrophobicContact CG-CG 4.15Å; L99-N102 PolarHBondContact O-ND2 3.29Å; L99-I104 HydrophobicContact CB-CD1 3.97Å; L99-I104 HydrophobicContact CD1-CD1 4.28Å; L99-L121 HydrophobicContact CD1-CD1 4.27Å; L99-D122 CarbonylContact C-O 3.13Å; L99-D122 WeakPolarHBondContact CA-O 3.46Å; L99-D122 WeakPolarHBondContact CB-O 3.31Å; L99-D122 PolarHBondContact N-O 3.43Å; L99-L123 HydrophobicContact CB-CD2 4.06Å; L99-L123 HydrophobicContact CD1-CD2 3.61Å; L99-N126 PolarHBondContact O-ND2 3.34Å
100	R	96.9	Very high	95.4	Very high	79 Å²	79	39.9 Å²	39.9	30%	0.298	23%	0.229	S	C	.	.			trans	-59.6	146.8	-178.6	-180	177.5	175.1	179.3	1.5	111.9	S75 Y76 I98 N102 S124 Y148	S75-R100 CarbonylContact C-O 3.58Å; S75-R100 WeakPolarHBondContact CA-O 3.41Å; S75-R100 WeakPolarHBondContact CB-O 3.32Å; Y76-R100 PolarHBondContact N-O 2.81Å; I98-R100 HydrophobicContact CG2-CB 4.24Å; R100-N102 PolarHBondContact O-ND2 3.02Å; R100-S124 VanDerWaalsContact CA-O 3.3Å; R100-S124 WeakPolarHBondContact CA-O 3.2Å; R100-S124 WeakPolarHBondContact CD-OG 3.38Å; R100-S124 WeakPolarHBondContact CG-OG 3.45Å; R100-Y148 PolarHBondContact NH1-OH 3.1Å
101	H	97.3	Very high	95.5	Very high	65 Å²	65	37 Å²	37	30%	0.301	21%	0.209	S	C	.	.	S	Bend	trans	56.7	52.6	177.4	-69.5	-68.7	0	0	0	112.1	Y76 N77 S124 S125	Y76-H101 WeakPolarHBondContact CA-O 3.37Å; Y76-H101 HydrophobicContact CD1-CB 3.59Å; Y76-H101 AromaticContact CD1-CG 3.95Å; Y76-H101 HydrophobicContact CE1-CB 3.74Å; Y76-H101 AromaticContact CE1-CD2 3.3Å; Y76-H101 WeakPolarHBondContact CE1-CD2 3.3Å; Y76-H101 AromaticContact CE1-CG 3.54Å; Y76-H101 AromaticContact CE1-NE2 3.88Å; Y76-H101 AromaticContact CE2-CD2 4Å; Y76-H101 HydrophobicContact CG-CB 4.03Å; Y76-H101 AromaticContact CZ-CD2 3.25Å; Y76-H101 AromaticContact CZ-CG 3.96Å; Y76-H101 AromaticContact CZ-NE2 3.86Å; Y76-H101 PolarHBondContact N-O 2.91Å; Y76-H101 PolarHBondContact OH-CD2 3.06Å; Y76-H101 VanDerWaalsContact OH-CD2 3.26Å; Y76-H101 PolarHBondContact OH-NE2 2.71Å; N77-H101 PolarHBondContact N-O 2.77Å; H101-S124 PolarHBondContact N-O 2.89Å; H101-S125 VanDerWaalsContact CA-O 3.24Å; H101-S125 WeakPolarHBondContact CA-O 3.38Å; H101-S125 PolarHBondContact N-O 2.97Å; H101-S125 WeakPolarHBondContact ND1-CB 3.46Å
102	N	97.6	Very high	95.6	Very high	5 Å²	5	37 Å²	37	3%	0.027	21%	0.209	C	C	.	.	S	Bend	trans	-115.4	-173.9	169.8	-86.1	-86.3	0	0	0	109.9	L74 N77 R78 I79 L99 R100 I104 N126	L74-N102 PolarHBondContact O-ND2 3.44Å; N77-N102 VanDerWaalsContact CA-OD1 3.27Å; N77-N102 WeakPolarHBondContact CA-OD1 3.39Å; N77-N102 WeakPolarHBondContact CB-OD1 3.32Å; N77-N102 PolarHBondContact N-OD1 3.04Å; N77-N102 PolarHBondContact O-OD1 3.44Å; R78-N102 PolarHBondContact N-OD1 3.24Å; I79-N102 HydrophobicContact CB-CB 4.33Å; I79-N102 WeakPolarHBondContact CB-OD1 3.38Å; I79-N102 WeakPolarHBondContact CG1-OD1 3.32Å; I79-N102 PolarHBondContact N-OD1 3.26Å; L99-N102 PolarHBondContact O-ND2 3.29Å; R100-N102 PolarHBondContact O-ND2 3.02Å; N102-I104 HydrophobicContact CB-CD1 4.14Å; N102-I104 HydrophobicContact CB-CG1 3.93Å; N102-N126 VanDerWaalsContact CA-OD1 3.28Å; N102-N126 WeakPolarHBondContact CA-OD1 3.49Å; N102-N126 WeakPolarHBondContact CB-OD1 3.21Å; N102-N126 PolarHBondContact N-OD1 3.1Å; N102-N126 PolarHBondContact O-OD1 2.79Å; N102-N126 VanDerWaalsContact O-OD1 3.07Å
103	N	97	Very high	95.6	Very high	73 Å²	73	37.2 Å²	37.2	39%	0.39	21%	0.207	S	C	.	.			trans	-102.7	27.7	178.1	-76.8	13.7	0	0	0	112	I79 G80 T105	I79-N103 CarbonylContact O-C 3.57Å; I79-N103 WeakPolarHBondContact O-CA 3.3Å; I79-N103 PolarHBondContact O-N 3.27Å; G80-N103 WeakPolarHBondContact CA-O 3.04Å; N103-T105 PolarHBondContact O-N 2.77Å; N103-T105 VanDerWaalsContact O-N 3.17Å
104	I	97.7	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.			trans	-67.5	117.7	-169.4	-57.4	167.9	0	0	0	109.8	I79 G80 L82 L99 N102 I107 L123 N126 K127 L128	I79-I104 HydrophobicContact CB-CG1 4.43Å; I79-I104 HydrophobicContact CG2-CG1 4.25Å; I79-I104 WeakPolarHBondContact O-CG1 3.26Å; I79-I104 PolarHBondContact O-N 2.02Å; I79-I104 VanDerWaalsContact O-N 3.1Å; G80-I104 CarbonylContact O-C 3.27Å; G80-I104 VanDerWaalsContact O-CA 3.28Å; G80-I104 WeakPolarHBondContact O-CA 3.48Å; L82-I104 HydrophobicContact CD1-CD1 4.26Å; L82-I104 HydrophobicContact CD1-CG2 4.38Å; L82-I104 HydrophobicContact CD2-CD1 4.09Å; L82-I104 HydrophobicContact CD2-CG1 4.36Å; L82-I104 HydrophobicContact CG-CD1 4.35Å; L82-I104 HydrophobicContact CG-CG2 4.03Å; L99-I104 HydrophobicContact CB-CD1 3.97Å; L99-I104 HydrophobicContact CD1-CD1 4.28Å; N102-I104 HydrophobicContact CB-CD1 4.14Å; N102-I104 HydrophobicContact CB-CG1 3.93Å; I104-I107 HydrophobicContact CG2-CG1 4.43Å; I104-L123 HydrophobicContact CD1-CD2 3.76Å; I104-N126 HydrophobicContact CB-CB 4.22Å; I104-N126 WeakPolarHBondContact CB-OD1 3.5Å; I104-N126 VanDerWaalsContact CG1-OD1 3.31Å; I104-N126 WeakPolarHBondContact CG1-OD1 2.92Å; I104-N126 PolarHBondContact N-OD1 3.31Å; I104-N126 VanDerWaalsContact N-OD1 3.09Å; I104-K127 CarbonylContact O-C 3.28Å; I104-K127 VanDerWaalsContact O-CA 3.3Å; I104-K127 WeakPolarHBondContact O-CA 3.02Å; I104-K127 PolarHBondContact O-N 3.5Å; I104-L128 HydrophobicContact CG2-CD2 3.87Å; I104-L128 HydrophobicContact CG2-CG 4.48Å; I104-L128 PolarHBondContact O-N 3.04Å; I104-L128 VanDerWaalsContact O-N 3.16Å
105	T	96.3	Very high	95.5	Very high	75 Å²	75	33 Å²	33	46%	0.46	19%	0.191	S	C	.	.			trans	-104	-26.7	179.7	53	0	0	0	0	113.4	G80 N103 K127	G80-T105 PolarHBondContact O-N 3.23Å; G80-T105 PolarHBondContact O-OG1 2.74Å; N103-T105 PolarHBondContact O-N 2.77Å; N103-T105 VanDerWaalsContact O-N 3.17Å; T105-K127 HydrophobicContact CG2-CB 4.01Å
106	S	94.4	Very high	95.3	Very high	47 Å²	47	32.9 Å²	32.9	33%	0.329	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	153.2	-178.2	53.1	0	0	0	0	112.5	L81 L82	L81-S106 WeakPolarHBondContact CD1-OG 3.38Å; L82-S106 PolarHBondContact N-O 3.26Å
107	I	96.3	Very high	95.2	Very high	25 Å²	25	35.1 Å²	35.1	13%	0.128	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.2	-179.9	-51.6	177.2	0	0	0	107.4	L82 I104 F112 L123 L128 V135 F136	L82-I107 HydrophobicContact CB-CG2 4.27Å; L82-I107 HydrophobicContact CD1-CD1 4.45Å; L82-I107 HydrophobicContact CD1-CG1 4.13Å; L82-I107 HydrophobicContact CD1-CG2 4.45Å; I104-I107 HydrophobicContact CG2-CG1 4.43Å; I107-F112 HydrophobicContact CG2-CE2 3.77Å; I107-F112 HydrophobicContact CG2-CZ 4.31Å; I107-L123 HydrophobicContact CD1-CD1 3.73Å; I107-L128 HydrophobicContact CD1-CD1 4.15Å; I107-L128 HydrophobicContact CD1-CD2 4.11Å; I107-L128 HydrophobicContact CG1-CD2 3.9Å; I107-V135 HydrophobicContact CG2-CB 4.1Å; I107-V135 HydrophobicContact CG2-CG1 4.46Å; I107-V135 WeakPolarHBondContact O-CG1 3.46Å; I107-F136 HydrophobicContact CD1-CE1 4.04Å; I107-F136 HydrophobicContact CD1-CZ 3.93Å
108	S	93.9	Very high	95.2	Very high	43 Å²	43	35.1 Å²	35.1	30%	0.301	20%	0.204	S	C	.	.			trans	-91.2	154.1	178.5	-51.8	0	0	0	0	110.9	L82 G110 S111	L82-S108 WeakPolarHBondContact O-CB 3.44Å; L82-S108 PolarHBondContact O-N 3.39Å; L82-S108 PolarHBondContact O-OG 2.96Å; L82-S108 VanDerWaalsContact O-OG 3.06Å; S108-G110 PolarHBondContact O-N 3.27Å; S108-S111 WeakPolarHBondContact CA-OG 3.35Å; S108-S111 PolarHBondContact N-OG 2.97Å; S108-S111 VanDerWaalsContact N-OG 3.14Å; S108-S111 WeakPolarHBondContact O-CB 3.31Å; S108-S111 PolarHBondContact O-N 3.44Å; S108-S111 PolarHBondContact O-OG 3.27Å
109	T	91.8	Very high	95.2	Very high	86 Å²	86	38.5 Å²	38.5	53%	0.528	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	135.3	169.6	49.3	0	0	0	0	109.8	S111 N133 V135	T109-S111 VanDerWaalsContact C-N 3.35Å; T109-N133 HydrophobicContact CG2-CB 3.98Å; T109-V135 HydrophobicContact CG2-CG1 4.25Å
110	G	90.4	Very high	95.2	Very high	16 Å²	16	39 Å²	39	17%	0.165	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	0.7	-177.4	0	0	0	0	0	115.2	S108 F112 S113 E138	S108-G110 PolarHBondContact O-N 3.27Å; G110-F112 PolarHBondContact O-N 2.83Å; G110-F112 VanDerWaalsContact O-N 3.1Å; G110-S113 WeakPolarHBondContact O-CB 3.1Å; G110-S113 PolarHBondContact O-N 3.18Å; G110-S113 VanDerWaalsContact O-N 3.17Å; G110-S113 PolarHBondContact O-OG 3.43Å; G110-E138 WeakPolarHBondContact CA-OE2 2.96Å
111	S	93.4	Very high	95.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.4	179.8	-55.9	0	0	0	0	113.9	L82 D83 W86 S108 T109	L82-S111 PolarHBondContact O-OG 3.03Å; D83-S111 WeakPolarHBondContact O-CA 3.42Å; D83-S111 WeakPolarHBondContact O-CB 3.38Å; D83-S111 PolarHBondContact O-OG 3.31Å; W86-S111 PolarHBondContact NE1-O 2.86Å; S108-S111 WeakPolarHBondContact CA-OG 3.35Å; S108-S111 PolarHBondContact N-OG 2.97Å; S108-S111 VanDerWaalsContact N-OG 3.14Å; S108-S111 WeakPolarHBondContact O-CB 3.31Å; S108-S111 PolarHBondContact O-N 3.44Å; S108-S111 PolarHBondContact O-OG 3.27Å; T109-S111 VanDerWaalsContact C-N 3.35Å
112	F	94.1	Very high	95.3	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	12.5	-179.1	-57.3	-70.1	0	0	0	113.3	L82 W86 L97 I107 G110 T114 T115 L118 L121 L123 F136 L139	L82-F112 HydrophobicContact CD1-CE1 4.25Å; L82-F112 HydrophobicContact CD1-CZ 3.8Å; W86-F112 HydrophobicContact CZ2-CD1 4.43Å; W86-F112 HydrophobicContact CZ2-CE1 4.04Å; L97-F112 HydrophobicContact CD2-CE1 4.28Å; I107-F112 HydrophobicContact CG2-CE2 3.77Å; I107-F112 HydrophobicContact CG2-CZ 4.31Å; G110-F112 PolarHBondContact O-N 2.83Å; G110-F112 VanDerWaalsContact O-N 3.1Å; F112-T114 PolarHBondContact O-N 2.93Å; F112-T115 CarbonylContact O-C 3.43Å; F112-T115 PolarHBondContact O-N 2.93Å; F112-T115 PolarHBondContact O-OG1 3.48Å; F112-T115 VanDerWaalsContact O-OG1 3.1Å; F112-L118 HydrophobicContact CD1-CD1 4.43Å; F112-L121 HydrophobicContact CE1-CD1 4.1Å; F112-L121 HydrophobicContact CE1-CD2 3.89Å; F112-L121 HydrophobicContact CE2-CD2 4.11Å; F112-L121 HydrophobicContact CZ-CD1 4.46Å; F112-L121 HydrophobicContact CZ-CD2 3.67Å; F112-L123 HydrophobicContact CZ-CD1 4.45Å; F112-F136 HydrophobicContact CD2-CD1 4.14Å; F112-F136 AromaticContact CE2-CD1 3.74Å; F112-F136 HydrophobicContact CE2-CD1 3.74Å; F112-F136 AromaticContact CE2-CE1 3.68Å; F112-F136 HydrophobicContact CE2-CE1 3.68Å; F112-F136 HydrophobicContact CZ-CE1 4.3Å; F112-L139 HydrophobicContact CB-CD1 4.25Å; F112-L139 HydrophobicContact CB-CD2 3.64Å; F112-L139 HydrophobicContact CB-CG 4.03Å; F112-L139 HydrophobicContact CD2-CD1 4.03Å; F112-L139 HydrophobicContact CG-CD1 4.08Å; F112-L139 HydrophobicContact CG-CD2 4.29Å; F112-L139 HydrophobicContact CG-CG 4.4Å
113	S	92.4	Very high	95.3	Very high	57 Å²	57	32.3 Å²	32.3	40%	0.399	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.4	-179.3	56.9	0	0	0	0	112.2	G110 T115 E138	G110-S113 WeakPolarHBondContact O-CB 3.1Å; G110-S113 PolarHBondContact O-N 3.18Å; G110-S113 VanDerWaalsContact O-N 3.17Å; G110-S113 PolarHBondContact O-OG 3.43Å; S113-T115 VanDerWaalsContact C-N 3.27Å; S113-T115 PolarHBondContact O-N 3.29Å; S113-E138 WeakPolarHBondContact CA-OE2 3.33Å; S113-E138 VanDerWaalsContact CB-OE2 3.24Å; S113-E138 WeakPolarHBondContact CB-OE2 3.42Å; S113-E138 PolarHBondContact N-OE2 2.88Å
114	T	92.8	Very high	95.4	Very high	26 Å²	26	28.8 Å²	28.8	16%	0.16	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.5	178	53.6	0	0	0	0	113.4	I87 S90 F91 F112 P116	I87-T114 WeakPolarHBondContact CG2-OG1 3.38Å; S90-T114 CarbonylContact C-O 3.53Å; S90-T114 WeakPolarHBondContact CA-O 3.46Å; S90-T114 PolarHBondContact OG-O 3.43Å; F91-T114 PolarHBondContact N-O 3.28Å; F112-T114 PolarHBondContact O-N 2.93Å; T114-P116 VanDerWaalsContact C-CD 3.49Å
115	T	94.9	Very high	95.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.182	C	C	.	.			trans	-131.5	58.6	-176.3	56	0	0	0	0	112.2	I87 F91 L94 F112 S113 N117 L118	I87-T115 HydrophobicContact CD1-CG2 3.8Å; F91-T115 HydrophobicContact CB-CG2 4.28Å; F91-T115 HydrophobicContact CD2-CG2 4.28Å; L94-T115 HydrophobicContact CD2-CG2 3.73Å; F112-T115 CarbonylContact O-C 3.43Å; F112-T115 PolarHBondContact O-N 2.93Å; F112-T115 PolarHBondContact O-OG1 3.48Å; F112-T115 VanDerWaalsContact O-OG1 3.1Å; S113-T115 VanDerWaalsContact C-N 3.27Å; S113-T115 PolarHBondContact O-N 3.29Å; T115-N117 VanDerWaalsContact C-N 3.27Å; T115-N117 PolarHBondContact O-N 3.23Å; T115-L118 HydrophobicContact CG2-CD1 4.44Å; T115-L118 PolarHBondContact O-N 2.88Å; T115-L118 VanDerWaalsContact OG1-CD1 3.25Å; T115-L118 WeakPolarHBondContact OG1-CD1 3.44Å
116	P	92.8	Very high	95.5	Very high	53 Å²	53	26.4 Å²	26.4	34%	0.344	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.4	-169.2	28.8	-37	0	0	0	114.6	T114	T114-P116 VanDerWaalsContact C-CD 3.49Å
117	N	95.6	Very high	95.6	Very high	73 Å²	73	28.7 Å²	28.7	39%	0.39	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	17.6	-175.3	-66.9	-50.3	0	0	0	113.7	A92 L94 T115 K119	A92-N117 PolarHBondContact O-ND2 2.76Å; L94-N117 CarbonylContact O-C 3.28Å; L94-N117 VanDerWaalsContact O-C 3.28Å; T115-N117 VanDerWaalsContact C-N 3.27Å; T115-N117 PolarHBondContact O-N 3.23Å; N117-K119 PolarHBondContact O-N 3.02Å
118	L	97.2	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.			trans	-63.3	125.2	177	-80.3	172.7	0	0	0	110.8	L94 L97 F112 T115 L139 V141 L142	L94-L118 HydrophobicContact CB-CD2 4.39Å; L94-L118 HydrophobicContact CD2-CD2 3.88Å; L94-L118 HydrophobicContact CG-CD2 3.83Å; L94-L118 WeakPolarHBondContact O-CA 3.06Å; L94-L118 PolarHBondContact O-N 2.83Å; L97-L118 HydrophobicContact CB-CD1 4.19Å; L97-L118 HydrophobicContact CB-CD2 3.65Å; L97-L118 HydrophobicContact CD2-CD1 3.99Å; F112-L118 HydrophobicContact CD1-CD1 4.43Å; T115-L118 HydrophobicContact CG2-CD1 4.44Å; T115-L118 PolarHBondContact O-N 2.88Å; T115-L118 VanDerWaalsContact OG1-CD1 3.25Å; T115-L118 WeakPolarHBondContact OG1-CD1 3.44Å; L118-L139 HydrophobicContact CB-CD2 4.05Å; L118-L139 HydrophobicContact CD1-CD2 4.09Å; L118-V141 CarbonylContact O-C 3.29Å; L118-L142 HydrophobicContact CB-CD1 4.21Å; L118-L142 VanDerWaalsContact O-CA 3.24Å; L118-L142 WeakPolarHBondContact O-CA 2.85Å; L118-L142 PolarHBondContact O-N 2.77Å
119	K	97.9	Very high	95.8	Very high	84 Å²	84	32.3 Å²	32.3	37%	0.365	18%	0.175	S	C	.	.	S	Bend	trans	-97.3	-30.6	172.7	-71.1	170.8	165.8	-93.4	0	111.9	N95 N117 E143 V144	N95-K119 HydrophobicContact CB-CD 4.39Å; N95-K119 PolarHBondContact O-N 2.94Å; N117-K119 PolarHBondContact O-N 3.02Å; K119-E143 IonicContact NZ-OE1 2.75Å; K119-E143 PolarHBondContact NZ-OE1 2.95Å; K119-E143 PolarHBondContact O-N 3.43Å; K119-V144 PolarHBondContact O-N 2.81Å
120	C	98.1	Very high	96	Very high	11 Å²	11	30.5 Å²	30.5	7%	0.074	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126.3	-178.6	179.6	0	0	0	0	110.9	N95 T96 L97 V144	N95-C120 PolarHBondContact O-N 2.91Å; T96-C120 WeakPolarHBondContact CA-O 3.45Å; T96-C120 HydrophobicContact CG2-CB 4.22Å; L97-C120 PolarHBondContact N-O 2.79Å; C120-V144 WeakPolarHBondContact CA-O 3.47Å; C120-V144 HydrophobicContact CB-CB 4.46Å
121	L	98.4	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.1	176.7	176.8	58.6	0	0	0	109.6	L97 L99 F112 L123 F136 L139 L142 V144 L145 L146	L97-L121 HydrophobicContact CB-CD1 4.14Å; L97-L121 HydrophobicContact CD2-CD1 3.87Å; L97-L121 HydrophobicContact CG-CD1 3.98Å; L99-L121 HydrophobicContact CD1-CD1 4.27Å; F112-L121 HydrophobicContact CE1-CD1 4.1Å; F112-L121 HydrophobicContact CE1-CD2 3.89Å; F112-L121 HydrophobicContact CE2-CD2 4.11Å; F112-L121 HydrophobicContact CZ-CD1 4.46Å; F112-L121 HydrophobicContact CZ-CD2 3.67Å; L121-L123 HydrophobicContact CD1-CD1 4.48Å; L121-L123 HydrophobicContact CD1-CG 4.14Å; L121-L123 HydrophobicContact CD2-CD1 3.82Å; L121-L123 HydrophobicContact CD2-CG 4.36Å; L121-L123 HydrophobicContact CG-CD1 4.03Å; L121-L123 HydrophobicContact CG-CG 4.04Å; L121-F136 HydrophobicContact CD2-CD1 4.31Å; L121-F136 HydrophobicContact CD2-CE1 4.02Å; L121-L139 HydrophobicContact CD2-CD1 3.89Å; L121-L142 HydrophobicContact CB-CD1 3.87Å; L121-V144 PolarHBondContact N-O 3.1Å; L121-L145 HydrophobicContact CB-CD1 4.12Å; L121-L145 HydrophobicContact CD2-CD1 3.99Å; L121-L145 HydrophobicContact CG-CD1 4.06Å; L121-L146 WeakPolarHBondContact O-CD1 3.17Å; L121-L146 PolarHBondContact O-N 3.13Å
122	D	98.5	Very high	96	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	108.4	175	-172.6	-5	0	0	0	110.8	L97 I98 L99 S124 L146	L97-D122 PolarHBondContact O-N 2.88Å; I98-D122 HydrophobicContact CG2-CB 4.07Å; L99-D122 CarbonylContact C-O 3.13Å; L99-D122 WeakPolarHBondContact CA-O 3.46Å; L99-D122 WeakPolarHBondContact CB-O 3.31Å; L99-D122 PolarHBondContact N-O 3.43Å; D122-S124 WeakPolarHBondContact OD1-CB 3.25Å; D122-S124 PolarHBondContact OD1-N 3.19Å; D122-S124 PolarHBondContact OD1-OG 3.02Å; D122-L146 HydrophobicContact CB-CB 4.42Å; D122-L146 HydrophobicContact CB-CD1 4.1Å
123	L	98.1	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.			trans	-113.3	17.9	174.6	-73.6	166.8	0	0	0	111.4	L82 L99 I104 I107 F112 L121 N126 L128 F136 L145 L146 L147 N150	L82-L123 HydrophobicContact CD1-CD2 4.03Å; L99-L123 HydrophobicContact CB-CD2 4.06Å; L99-L123 HydrophobicContact CD1-CD2 3.61Å; I104-L123 HydrophobicContact CD1-CD2 3.76Å; I107-L123 HydrophobicContact CD1-CD1 3.73Å; F112-L123 HydrophobicContact CZ-CD1 4.45Å; L121-L123 HydrophobicContact CD1-CD1 4.48Å; L121-L123 HydrophobicContact CD1-CG 4.14Å; L121-L123 HydrophobicContact CD2-CD1 3.82Å; L121-L123 HydrophobicContact CD2-CG 4.36Å; L121-L123 HydrophobicContact CG-CD1 4.03Å; L121-L123 HydrophobicContact CG-CG 4.04Å; L123-N126 PolarHBondContact O-ND2 3.35Å; L123-L128 HydrophobicContact CB-CD1 4.47Å; L123-F136 HydrophobicContact CD1-CE1 3.91Å; L123-F136 HydrophobicContact CD1-CZ 4.03Å; L123-L145 HydrophobicContact CD1-CD1 4.49Å; L123-L146 CarbonylContact C-O 3.51Å; L123-L146 WeakPolarHBondContact CA-O 3.34Å; L123-L146 PolarHBondContact N-O 3.14Å; L123-L147 HydrophobicContact CB-CD2 3.76Å; L123-L147 HydrophobicContact CD1-CD2 4.01Å; L123-N150 PolarHBondContact O-ND2 2.86Å
124	S	98.1	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.			trans	-67.8	161.1	-177.1	66.3	0	0	0	0	113.2	R100 H101 D122 N126 L146 Y148	R100-S124 VanDerWaalsContact CA-O 3.3Å; R100-S124 WeakPolarHBondContact CA-O 3.2Å; R100-S124 WeakPolarHBondContact CD-OG 3.38Å; R100-S124 WeakPolarHBondContact CG-OG 3.45Å; H101-S124 PolarHBondContact N-O 2.89Å; D122-S124 WeakPolarHBondContact OD1-CB 3.25Å; D122-S124 PolarHBondContact OD1-N 3.19Å; D122-S124 PolarHBondContact OD1-OG 3.02Å; S124-N126 VanDerWaalsContact C-N 3.32Å; S124-N126 PolarHBondContact O-N 3.15Å; S124-N126 PolarHBondContact O-ND2 2.9Å; S124-L146 PolarHBondContact N-O 3.1Å; S124-Y148 CarbonylContact C-O 3.48Å; S124-Y148 WeakPolarHBondContact CA-O 3.25Å; S124-Y148 VanDerWaalsContact CB-CD1 3.49Å; S124-Y148 WeakPolarHBondContact CB-O 3.11Å; S124-Y148 WeakPolarHBondContact OG-CE1 3.18Å; S124-Y148 PolarHBondContact OG-OH 2.96Å; S124-Y148 VanDerWaalsContact OG-OH 3.14Å
125	S	97.9	Very high	95.6	Very high	19 Å²	19	37 Å²	37	13%	0.133	19%	0.189	C	C	.	.	S	Bend	trans	53.7	48.3	177.9	-47.3	0	0	0	0	112.2	H101 Y148 N149	H101-S125 VanDerWaalsContact CA-O 3.24Å; H101-S125 WeakPolarHBondContact CA-O 3.38Å; H101-S125 PolarHBondContact N-O 2.97Å; H101-S125 WeakPolarHBondContact ND1-CB 3.46Å; S125-Y148 PolarHBondContact N-O 3.25Å; S125-N149 WeakPolarHBondContact CA-O 3.33Å; S125-N149 PolarHBondContact N-O 3.17Å
126	N	98.3	Very high	95.7	Very high	5 Å²	5	37 Å²	37	3%	0.027	19%	0.189	C	C	.	.	S	Bend	trans	-122.8	-167.5	178.6	-87.6	-76.7	0	0	0	110.2	L99 N102 I104 L123 S124 N149 N150	L99-N126 PolarHBondContact O-ND2 3.34Å; N102-N126 VanDerWaalsContact CA-OD1 3.28Å; N102-N126 WeakPolarHBondContact CA-OD1 3.49Å; N102-N126 WeakPolarHBondContact CB-OD1 3.21Å; N102-N126 PolarHBondContact N-OD1 3.1Å; N102-N126 PolarHBondContact O-OD1 2.79Å; N102-N126 VanDerWaalsContact O-OD1 3.07Å; I104-N126 HydrophobicContact CB-CB 4.22Å; I104-N126 WeakPolarHBondContact CB-OD1 3.5Å; I104-N126 VanDerWaalsContact CG1-OD1 3.31Å; I104-N126 WeakPolarHBondContact CG1-OD1 2.92Å; I104-N126 PolarHBondContact N-OD1 3.31Å; I104-N126 VanDerWaalsContact N-OD1 3.09Å; L123-N126 PolarHBondContact O-ND2 3.35Å; S124-N126 VanDerWaalsContact C-N 3.32Å; S124-N126 PolarHBondContact O-N 3.15Å; S124-N126 PolarHBondContact O-ND2 2.9Å; N126-N149 PolarHBondContact N-O 2.91Å; N126-N150 VanDerWaalsContact CA-OD1 3.27Å; N126-N150 WeakPolarHBondContact CA-OD1 3.43Å; N126-N150 WeakPolarHBondContact CB-OD1 3.4Å; N126-N150 PolarHBondContact N-OD1 3.23Å; N126-N150 PolarHBondContact O-OD1 3.13Å
127	K	97.8	Very high	95.6	Very high	95 Å²	95	39.5 Å²	39.5	41%	0.413	20%	0.196	S	C	.	.			trans	-115.8	26.5	-175.4	-61.8	179.5	-177.3	174	0	112.5	I104 T105 K129 N150	I104-K127 CarbonylContact O-C 3.28Å; I104-K127 VanDerWaalsContact O-CA 3.3Å; I104-K127 WeakPolarHBondContact O-CA 3.02Å; I104-K127 PolarHBondContact O-N 3.5Å; T105-K127 HydrophobicContact CG2-CB 4.01Å; K127-K129 PolarHBondContact O-N 3.3Å; K127-N150 PolarHBondContact N-OD1 3.31Å
128	L	97.6	Very high	95.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.194	C	C	.	.			trans	-66	124.1	179.7	-66.7	171	0	0	0	109.8	I104 I107 L123 L147 N150 H151 I152	I104-L128 HydrophobicContact CG2-CD2 3.87Å; I104-L128 HydrophobicContact CG2-CG 4.48Å; I104-L128 PolarHBondContact O-N 3.04Å; I104-L128 VanDerWaalsContact O-N 3.16Å; I107-L128 HydrophobicContact CD1-CD1 4.15Å; I107-L128 HydrophobicContact CD1-CD2 4.11Å; I107-L128 HydrophobicContact CG1-CD2 3.9Å; L123-L128 HydrophobicContact CB-CD1 4.47Å; L128-L147 HydrophobicContact CD1-CD2 3.68Å; L128-N150 HydrophobicContact CB-CB 4.22Å; L128-N150 WeakPolarHBondContact CB-OD1 3.34Å; L128-N150 PolarHBondContact N-OD1 2.98Å; L128-H151 CarbonylContact O-C 3.11Å; L128-H151 WeakPolarHBondContact O-CA 3.36Å; L128-H151 PolarHBondContact O-N 3.18Å; L128-I152 HydrophobicContact CB-CG1 4.1Å; L128-I152 WeakPolarHBondContact O-CG1 3.17Å; L128-I152 PolarHBondContact O-N 3Å; L128-I152 VanDerWaalsContact O-N 3.13Å
129	K	96.3	Very high	95.3	Very high	143 Å²	143	39.6 Å²	39.6	62%	0.622	19%	0.194	S	C	*	.			trans	-93.6	-28.2	178.2	-66.3	-175.5	179.6	-178.8	0	113.5	K127 H151 I152 S153	K127-K129 PolarHBondContact O-N 3.3Å; K129-H151 WeakPolarHBondContact CA-O 3.24Å; K129-H151 HydrophobicContact CG-CB 4.31Å; K129-I152 VanDerWaalsContact O-CA 3.32Å; K129-I152 WeakPolarHBondContact O-CA 3.38Å; K129-S153 PolarHBondContact O-N 3.1Å
130	T	94.9	Very high	95.1	Very high	49 Å²	49	42.2 Å²	42.2	30%	0.301	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	146.4	-175	57.4	0	0	0	0	109.4	K132 Y154	T130-K132 VanDerWaalsContact CG2-CE 3.47Å; T130-K132 WeakPolarHBondContact OG1-CE 3.41Å; T130-Y154 WeakPolarHBondContact CA-O 3.28Å
131	V	94.9	Very high	95.1	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	106.6	169.6	-176.5	0	0	0	0	106.5	V135 F136 L147 I152 Y154 L155 D156 A159 F160	V131-V135 HydrophobicContact CG1-CG2 4.18Å; V131-F136 HydrophobicContact CG1-CD2 4.25Å; V131-F136 HydrophobicContact CG1-CE2 3.56Å; V131-F136 HydrophobicContact CG1-CZ 4.4Å; V131-L147 HydrophobicContact CG2-CD1 4.35Å; V131-I152 HydrophobicContact CG2-CD1 3.85Å; V131-I152 HydrophobicContact CG2-CG1 4.3Å; V131-I152 HydrophobicContact CG2-CG2 4.36Å; V131-Y154 PolarHBondContact N-O 2.95Å; V131-L155 HydrophobicContact CB-CD2 3.69Å; V131-L155 HydrophobicContact CG2-CD2 3.79Å; V131-D156 WeakPolarHBondContact O-CB 3.41Å; V131-D156 PolarHBondContact O-N 3.32Å; V131-A159 HydrophobicContact CG1-CB 3.66Å; V131-F160 HydrophobicContact CG1-CE2 4.42Å; V131-F160 HydrophobicContact CG1-CZ 4.19Å
132	K	89.4	Confident	95.1	Very high	101 Å²	101	43.5 Å²	43.5	44%	0.439	21%	0.213	S	C	.	.			trans	-131.2	160.7	-172.4	-40.3	-173.3	-170	-173.7	0	110.3	T130 V135 D156	T130-K132 VanDerWaalsContact CG2-CE 3.47Å; T130-K132 WeakPolarHBondContact OG1-CE 3.41Å; K132-V135 VanDerWaalsContact O-CG1 3.23Å; K132-V135 WeakPolarHBondContact O-CG1 3.47Å; K132-D156 HydrophobicContact CB-CB 4.4Å
133	N	87.6	Confident	95	Very high	99 Å²	99	45.8 Å²	45.8	53%	0.529	22%	0.223	S	C	.	.	S	Bend	trans	60.3	167.6	-179.8	-47.2	-36.3	0	0	0	111.6	T109 V135 A159	T109-N133 HydrophobicContact CG2-CB 3.98Å; N133-V135 HydrophobicContact CB-CG1 4.38Å; N133-V135 PolarHBondContact O-N 3.24Å; N133-A159 WeakPolarHBondContact O-CA 3.31Å; N133-A159 WeakPolarHBondContact O-CB 3.05Å
134	A	89.9	Confident	95	Very high	29 Å²	29	46.8 Å²	46.8	24%	0.24	23%	0.23	C	C	.	.	S	Bend	trans	-71.2	47.6	-177.3	0	0	0	0	0	114.4	F136 Q137	A134-F136 VanDerWaalsContact C-N 3.31Å; A134-F136 PolarHBondContact O-N 3.24Å; A134-Q137 HydrophobicContact CB-CB 3.83Å; A134-Q137 HydrophobicContact CB-CG 4.46Å; A134-Q137 VanDerWaalsContact O-CB 3.27Å; A134-Q137 WeakPolarHBondContact O-CB 3.46Å; A134-Q137 PolarHBondContact O-N 2.6Å
135	V	94.3	Very high	95.1	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.03	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.1	-171.7	-67.9	0	0	0	0	113.8	I107 T109 V131 K132 N133 A159	I107-V135 HydrophobicContact CG2-CB 4.1Å; I107-V135 HydrophobicContact CG2-CG1 4.46Å; I107-V135 WeakPolarHBondContact O-CG1 3.46Å; T109-V135 HydrophobicContact CG2-CG1 4.25Å; V131-V135 HydrophobicContact CG1-CG2 4.18Å; K132-V135 VanDerWaalsContact O-CG1 3.23Å; K132-V135 WeakPolarHBondContact O-CG1 3.47Å; N133-V135 HydrophobicContact CB-CG1 4.38Å; N133-V135 PolarHBondContact O-N 3.24Å; V135-A159 HydrophobicContact CG2-CB 4.14Å
136	F	95.3	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	6	176.3	-54.7	-59.5	0	0	0	113.5	I107 F112 L121 L123 V131 A134 E138 L139 L145 L147 A159 F160 L163	I107-F136 HydrophobicContact CD1-CE1 4.04Å; I107-F136 HydrophobicContact CD1-CZ 3.93Å; F112-F136 HydrophobicContact CD2-CD1 4.14Å; F112-F136 AromaticContact CE2-CD1 3.74Å; F112-F136 HydrophobicContact CE2-CD1 3.74Å; F112-F136 AromaticContact CE2-CE1 3.68Å; F112-F136 HydrophobicContact CE2-CE1 3.68Å; F112-F136 HydrophobicContact CZ-CE1 4.3Å; L121-F136 HydrophobicContact CD2-CD1 4.31Å; L121-F136 HydrophobicContact CD2-CE1 4.02Å; L123-F136 HydrophobicContact CD1-CE1 3.91Å; L123-F136 HydrophobicContact CD1-CZ 4.03Å; V131-F136 HydrophobicContact CG1-CD2 4.25Å; V131-F136 HydrophobicContact CG1-CE2 3.56Å; V131-F136 HydrophobicContact CG1-CZ 4.4Å; A134-F136 VanDerWaalsContact C-N 3.31Å; A134-F136 PolarHBondContact O-N 3.24Å; F136-E138 PolarHBondContact O-N 3.21Å; F136-E138 VanDerWaalsContact O-N 3.08Å; F136-L139 HydrophobicContact CB-CD1 4.38Å; F136-L139 HydrophobicContact CD1-CD1 4.05Å; F136-L139 WeakPolarHBondContact O-CB 3.27Å; F136-L139 PolarHBondContact O-N 3.21Å; F136-L145 HydrophobicContact CD2-CD2 4.1Å; F136-L145 HydrophobicContact CE2-CD2 3.94Å; F136-L145 HydrophobicContact CZ-CD1 4.44Å; F136-L145 HydrophobicContact CZ-CD2 4.29Å; F136-L147 HydrophobicContact CE2-CD1 4.43Å; F136-A159 WeakPolarHBondContact CB-O 3.28Å; F136-A159 PolarHBondContact N-O 3.24Å; F136-F160 HydrophobicContact CD2-CD1 4.45Å; F136-F160 HydrophobicContact CD2-CE1 4.41Å; F136-F160 HydrophobicContact CE2-CE1 4.44Å; F136-L163 HydrophobicContact CB-CD1 4Å; F136-L163 HydrophobicContact CB-CD2 4Å; F136-L163 HydrophobicContact CB-CG 4.24Å; F136-L163 WeakPolarHBondContact O-CD2 3.01Å
137	Q	92.1	Very high	95.1	Very high	104 Å²	104	45.7 Å²	45.7	49%	0.486	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.9	-171.2	177.7	177.2	18	0	0	114.7	A134 L139 G161	A134-Q137 HydrophobicContact CB-CB 3.83Å; A134-Q137 HydrophobicContact CB-CG 4.46Å; A134-Q137 VanDerWaalsContact O-CB 3.27Å; A134-Q137 WeakPolarHBondContact O-CB 3.46Å; A134-Q137 PolarHBondContact O-N 2.6Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 2.77Å; Q137-G161 WeakPolarHBondContact CA-O 3.46Å; Q137-G161 WeakPolarHBondContact CB-O 3.42Å; Q137-G161 VanDerWaalsContact CG-O 3.29Å; Q137-G161 WeakPolarHBondContact CG-O 3.38Å
138	E	89.9	Confident	95.1	Very high	76 Å²	76	41.7 Å²	41.7	36%	0.355	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.4	-179.4	-63.7	174	155.1	0	0	112.6	G110 S113 F136 K140	G110-E138 WeakPolarHBondContact CA-OE2 2.96Å; S113-E138 WeakPolarHBondContact CA-OE2 3.33Å; S113-E138 VanDerWaalsContact CB-OE2 3.24Å; S113-E138 WeakPolarHBondContact CB-OE2 3.42Å; S113-E138 PolarHBondContact N-OE2 2.88Å; F136-E138 PolarHBondContact O-N 3.21Å; F136-E138 VanDerWaalsContact O-N 3.08Å; E138-K140 VanDerWaalsContact C-N 3.27Å; E138-K140 PolarHBondContact O-N 3.35Å
139	L	95.4	Very high	95.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.217	C	C	.	.			trans	-85.6	58.1	-174	-59	-179	0	0	0	112.3	F112 L118 L121 F136 Q137 V141 L142 L163	F112-L139 HydrophobicContact CB-CD1 4.25Å; F112-L139 HydrophobicContact CB-CD2 3.64Å; F112-L139 HydrophobicContact CB-CG 4.03Å; F112-L139 HydrophobicContact CD2-CD1 4.03Å; F112-L139 HydrophobicContact CG-CD1 4.08Å; F112-L139 HydrophobicContact CG-CD2 4.29Å; F112-L139 HydrophobicContact CG-CG 4.4Å; L118-L139 HydrophobicContact CB-CD2 4.05Å; L118-L139 HydrophobicContact CD1-CD2 4.09Å; L121-L139 HydrophobicContact CD2-CD1 3.89Å; F136-L139 HydrophobicContact CB-CD1 4.38Å; F136-L139 HydrophobicContact CD1-CD1 4.05Å; F136-L139 WeakPolarHBondContact O-CB 3.27Å; F136-L139 PolarHBondContact O-N 3.21Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 2.77Å; L139-V141 PolarHBondContact O-N 2.57Å; L139-V141 VanDerWaalsContact O-N 3.16Å; L139-L142 HydrophobicContact CB-CB 3.95Å; L139-L142 HydrophobicContact CB-CD2 4.27Å; L139-L142 HydrophobicContact CD1-CD1 4.42Å; L139-L142 HydrophobicContact CD1-CD2 3.96Å; L139-L142 VanDerWaalsContact O-CB 3.28Å; L139-L142 WeakPolarHBondContact O-CB 3.48Å; L139-L142 PolarHBondContact O-N 3.31Å; L139-L142 VanDerWaalsContact O-N 3.12Å; L139-L163 HydrophobicContact CB-CD2 3.79Å; L139-L163 WeakPolarHBondContact O-CD2 3.32Å
140	K	95	Very high	95.2	Very high	138 Å²	138	37.5 Å²	37.5	60%	0.6	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.5	-171.1	-61.9	-179.6	-177.8	178.7	0	114.9	E138 S164	E138-K140 VanDerWaalsContact C-N 3.27Å; E138-K140 PolarHBondContact O-N 3.35Å; K140-S164 PolarHBondContact O-OG 2.85Å
141	V	96.8	Very high	95.3	Very high	38 Å²	38	39.5 Å²	39.5	23%	0.23	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	12.6	-178.8	-59	0	0	0	0	113	L118 L139 E143	L118-V141 CarbonylContact O-C 3.29Å; L139-V141 PolarHBondContact O-N 2.57Å; L139-V141 VanDerWaalsContact O-N 3.16Å; V141-E143 PolarHBondContact O-N 3Å
142	L	98	Very high	95.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.			trans	-68.4	124.3	177.6	-165	72.3	0	0	0	109.6	L118 L121 L139 L145 L163 Q165 L166	L118-L142 HydrophobicContact CB-CD1 4.21Å; L118-L142 VanDerWaalsContact O-CA 3.24Å; L118-L142 WeakPolarHBondContact O-CA 2.85Å; L118-L142 PolarHBondContact O-N 2.77Å; L121-L142 HydrophobicContact CB-CD1 3.87Å; L139-L142 HydrophobicContact CB-CB 3.95Å; L139-L142 HydrophobicContact CB-CD2 4.27Å; L139-L142 HydrophobicContact CD1-CD1 4.42Å; L139-L142 HydrophobicContact CD1-CD2 3.96Å; L139-L142 VanDerWaalsContact O-CB 3.28Å; L139-L142 WeakPolarHBondContact O-CB 3.48Å; L139-L142 PolarHBondContact O-N 3.31Å; L139-L142 VanDerWaalsContact O-N 3.12Å; L142-L145 HydrophobicContact CD2-CB 4.02Å; L142-L145 HydrophobicContact CD2-CD1 4.39Å; L142-L145 HydrophobicContact CD2-CD2 4.45Å; L142-L163 HydrophobicContact CB-CD2 4.18Å; L142-L163 HydrophobicContact CD2-CD2 4.14Å; L142-Q165 CarbonylContact O-C 3.04Å; L142-L166 HydrophobicContact CB-CD1 4.44Å; L142-L166 HydrophobicContact CD2-CD1 4Å; L142-L166 HydrophobicContact CG-CD1 4.04Å; L142-L166 WeakPolarHBondContact O-CA 3.28Å; L142-L166 PolarHBondContact O-N 3.22Å
143	E	98.1	Very high	95.8	Very high	55 Å²	55	37.4 Å²	37.4	26%	0.257	19%	0.193	S	C	.	.			trans	-101	-35.7	-179.9	-65.5	167.5	-161.3	0	0	110.7	K119 V141 Q167 K168	K119-E143 IonicContact NZ-OE1 2.75Å; K119-E143 PolarHBondContact NZ-OE1 2.95Å; K119-E143 PolarHBondContact O-N 3.43Å; V141-E143 PolarHBondContact O-N 3Å; E143-Q167 PolarHBondContact O-N 3.49Å; E143-K168 PolarHBondContact O-N 3.4Å
144	V	98.4	Very high	96.2	Very high	22 Å²	22	38.3 Å²	38.3	13%	0.133	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.4	-174.8	-172.8	0	0	0	0	111.2	K119 C120 L121 L146 K168 Y170	K119-V144 PolarHBondContact O-N 2.81Å; C120-V144 WeakPolarHBondContact CA-O 3.47Å; C120-V144 HydrophobicContact CB-CB 4.46Å; L121-V144 PolarHBondContact N-O 3.1Å; V144-L146 HydrophobicContact CG1-CD1 3.59Å; V144-L146 HydrophobicContact CG1-CG 4.22Å; V144-K168 HydrophobicContact CG1-CB 4.2Å; V144-K168 HydrophobicContact CG2-CB 4.3Å; V144-K168 HydrophobicContact CG2-CD 4.31Å; V144-K168 HydrophobicContact CG2-CG 4.46Å; V144-Y170 HydrophobicContact CG1-CE2 4.2Å
145	L	98.3	Very high	96.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.1	174.8	179.2	55.9	0	0	0	110.3	L121 L123 F136 L142 L147 F160 L166 K168 L169 Y170	L121-L145 HydrophobicContact CB-CD1 4.12Å; L121-L145 HydrophobicContact CD2-CD1 3.99Å; L121-L145 HydrophobicContact CG-CD1 4.06Å; L123-L145 HydrophobicContact CD1-CD1 4.49Å; F136-L145 HydrophobicContact CD2-CD2 4.1Å; F136-L145 HydrophobicContact CE2-CD2 3.94Å; F136-L145 HydrophobicContact CZ-CD1 4.44Å; F136-L145 HydrophobicContact CZ-CD2 4.29Å; L142-L145 HydrophobicContact CD2-CB 4.02Å; L142-L145 HydrophobicContact CD2-CD1 4.39Å; L142-L145 HydrophobicContact CD2-CD2 4.45Å; L145-L147 HydrophobicContact CD1-CD1 4.48Å; L145-L147 HydrophobicContact CD1-CG 4.23Å; L145-L147 HydrophobicContact CD2-CD1 3.95Å; L145-L147 HydrophobicContact CG-CD1 4.04Å; L145-L147 HydrophobicContact CG-CG 4.13Å; L145-F160 HydrophobicContact CD2-CD1 4.35Å; L145-F160 HydrophobicContact CD2-CE1 3.95Å; L145-L166 HydrophobicContact CB-CD1 3.79Å; L145-K168 PolarHBondContact N-O 2.57Å; L145-L169 HydrophobicContact CB-CD1 4.02Å; L145-L169 HydrophobicContact CD2-CD1 3.89Å; L145-L169 HydrophobicContact CG-CD1 3.91Å; L145-L169 WeakPolarHBondContact O-CA 3.36Å; L145-Y170 PolarHBondContact O-N 3.06Å
146	L	98.6	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.7	179.5	-52.3	86.4	0	0	0	110.1	L121 D122 L123 S124 V144 Y148 Y170 F512 F517	L121-L146 WeakPolarHBondContact O-CD1 3.17Å; L121-L146 PolarHBondContact O-N 3.13Å; D122-L146 HydrophobicContact CB-CB 4.42Å; D122-L146 HydrophobicContact CB-CD1 4.1Å; L123-L146 CarbonylContact C-O 3.51Å; L123-L146 WeakPolarHBondContact CA-O 3.34Å; L123-L146 PolarHBondContact N-O 3.14Å; S124-L146 PolarHBondContact N-O 3.1Å; V144-L146 HydrophobicContact CG1-CD1 3.59Å; V144-L146 HydrophobicContact CG1-CG 4.22Å; L146-Y148 HydrophobicContact CB-CD1 3.98Å; L146-Y148 HydrophobicContact CB-CE1 3.88Å; L146-Y148 HydrophobicContact CD2-CD1 4.37Å; L146-Y148 HydrophobicContact CD2-CE1 3.7Å; L146-Y148 HydrophobicContact CG-CE1 4.38Å; L146-Y170 HydrophobicContact CD2-CD2 4.47Å; L146-Y170 HydrophobicContact CG-CD2 4Å; L146-F512 HydrophobicContact CD2-CE1 4.41Å; L146-F517 HydrophobicContact CD2-CE2 4.32Å
147	L	98.1	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.			trans	-126.3	11.9	179.5	-72.4	167.7	0	0	0	112.2	L123 L128 V131 F136 L145 N150 I152 L169 Y170 L171 N174	L123-L147 HydrophobicContact CB-CD2 3.76Å; L123-L147 HydrophobicContact CD1-CD2 4.01Å; L128-L147 HydrophobicContact CD1-CD2 3.68Å; V131-L147 HydrophobicContact CG2-CD1 4.35Å; F136-L147 HydrophobicContact CE2-CD1 4.43Å; L145-L147 HydrophobicContact CD1-CD1 4.48Å; L145-L147 HydrophobicContact CD1-CG 4.23Å; L145-L147 HydrophobicContact CD2-CD1 3.95Å; L145-L147 HydrophobicContact CG-CD1 4.04Å; L145-L147 HydrophobicContact CG-CG 4.13Å; L147-N150 PolarHBondContact O-ND2 3.04Å; L147-I152 HydrophobicContact CB-CD1 4.03Å; L147-I152 HydrophobicContact CD1-CD1 4.48Å; L147-I152 HydrophobicContact CD2-CD1 4.38Å; L147-L169 HydrophobicContact CD1-CD1 4.24Å; L147-Y170 CarbonylContact C-O 3.48Å; L147-Y170 VanDerWaalsContact CA-O 3.29Å; L147-Y170 WeakPolarHBondContact CA-O 3.31Å; L147-Y170 WeakPolarHBondContact CB-O 3.12Å; L147-Y170 PolarHBondContact N-O 3.42Å; L147-L171 HydrophobicContact CB-CD2 3.83Å; L147-L171 HydrophobicContact CD1-CD2 4.06Å; L147-N174 PolarHBondContact O-ND2 2.99Å
148	Y	98.1	Very high	96.3	Very high	12 Å²	12	37 Å²	37	5%	0.047	19%	0.185	C	C	.	.			trans	-64.7	156.2	-179	68.3	-90.9	0	0	0	112.5	R100 S124 S125 L146 N150 Y170 S172 F517	R100-Y148 PolarHBondContact NH1-OH 3.1Å; S124-Y148 CarbonylContact C-O 3.48Å; S124-Y148 WeakPolarHBondContact CA-O 3.25Å; S124-Y148 VanDerWaalsContact CB-CD1 3.49Å; S124-Y148 WeakPolarHBondContact CB-O 3.11Å; S124-Y148 WeakPolarHBondContact OG-CE1 3.18Å; S124-Y148 PolarHBondContact OG-OH 2.96Å; S124-Y148 VanDerWaalsContact OG-OH 3.14Å; S125-Y148 PolarHBondContact N-O 3.25Å; L146-Y148 HydrophobicContact CB-CD1 3.98Å; L146-Y148 HydrophobicContact CB-CE1 3.88Å; L146-Y148 HydrophobicContact CD2-CD1 4.37Å; L146-Y148 HydrophobicContact CD2-CE1 3.7Å; L146-Y148 HydrophobicContact CG-CE1 4.38Å; Y148-N150 PolarHBondContact O-N 2.9Å; Y148-N150 PolarHBondContact O-ND2 2.01Å; Y148-Y170 PolarHBondContact N-O 3.49Å; Y148-S172 CarbonylContact C-O 3.58Å; Y148-S172 WeakPolarHBondContact CA-O 3.14Å; Y148-S172 VanDerWaalsContact CB-O 3.29Å; Y148-S172 WeakPolarHBondContact CB-O 3.44Å; Y148-F517 HydrophobicContact CD1-CD2 4.45Å; Y148-F517 HydrophobicContact CE1-CD2 4.25Å; Y148-F517 HydrophobicContact CE1-CE2 4.44Å
149	N	97.9	Very high	96.5	Very high	51 Å²	51	33.3 Å²	33.3	27%	0.273	17%	0.168	S	C	.	.	S	Bend	trans	52.9	51.4	-176.7	-64	-7.1	0	0	0	112.5	S125 N126 S172 G173	S125-N149 WeakPolarHBondContact CA-O 3.33Å; S125-N149 PolarHBondContact N-O 3.17Å; N126-N149 PolarHBondContact N-O 2.91Å; N149-S172 PolarHBondContact N-O 2.89Å; N149-G173 WeakPolarHBondContact CA-O 3.42Å
150	N	98.3	Very high	96.5	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.027	17%	0.168	C	C	.	.	S	Bend	trans	-115.6	-166.6	169.6	-87.7	-84	0	0	0	109.2	L123 N126 K127 L128 L147 Y148 I152 N174	L123-N150 PolarHBondContact O-ND2 2.86Å; N126-N150 VanDerWaalsContact CA-OD1 3.27Å; N126-N150 WeakPolarHBondContact CA-OD1 3.43Å; N126-N150 WeakPolarHBondContact CB-OD1 3.4Å; N126-N150 PolarHBondContact N-OD1 3.23Å; N126-N150 PolarHBondContact O-OD1 3.13Å; K127-N150 PolarHBondContact N-OD1 3.31Å; L128-N150 HydrophobicContact CB-CB 4.22Å; L128-N150 WeakPolarHBondContact CB-OD1 3.34Å; L128-N150 PolarHBondContact N-OD1 2.98Å; L147-N150 PolarHBondContact O-ND2 3.04Å; Y148-N150 PolarHBondContact O-N 2.9Å; Y148-N150 PolarHBondContact O-ND2 2.01Å; N150-I152 HydrophobicContact CB-CD1 4Å; N150-I152 HydrophobicContact CB-CG1 3.89Å; N150-N174 VanDerWaalsContact CA-OD1 3.29Å; N150-N174 WeakPolarHBondContact CA-OD1 3.13Å; N150-N174 WeakPolarHBondContact CB-OD1 3.21Å; N150-N174 PolarHBondContact N-OD1 3.08Å; N150-N174 PolarHBondContact O-OD1 3.16Å
151	H	97.8	Very high	96.1	Very high	90 Å²	90	27.4 Å²	27.4	42%	0.417	15%	0.146	S	C	.	.			trans	-112.1	30.5	176.3	-59.3	77.8	0	0	0	111.8	L128 K129 S153 N174 F175	L128-H151 CarbonylContact O-C 3.11Å; L128-H151 WeakPolarHBondContact O-CA 3.36Å; L128-H151 PolarHBondContact O-N 3.18Å; K129-H151 WeakPolarHBondContact CA-O 3.24Å; K129-H151 HydrophobicContact CG-CB 4.31Å; H151-S153 PolarHBondContact O-N 3.44Å; H151-N174 PolarHBondContact N-OD1 3.38Å; H151-F175 HydrophobicContact CB-CD2 4.04Å; H151-F175 HydrophobicContact CB-CE2 3.84Å; H151-F175 AromaticContact CD2-CE2 3.54Å; H151-F175 AromaticContact CG-CE2 3.93Å
152	I	98.1	Very high	95.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.			trans	-72.6	113.8	-170.1	-57.8	165.7	0	0	0	109.5	L128 K129 V131 L147 N150 L155 L171 N174 F175 L176	L128-I152 HydrophobicContact CB-CG1 4.1Å; L128-I152 WeakPolarHBondContact O-CG1 3.17Å; L128-I152 PolarHBondContact O-N 3Å; L128-I152 VanDerWaalsContact O-N 3.13Å; K129-I152 VanDerWaalsContact O-CA 3.32Å; K129-I152 WeakPolarHBondContact O-CA 3.38Å; V131-I152 HydrophobicContact CG2-CD1 3.85Å; V131-I152 HydrophobicContact CG2-CG1 4.3Å; V131-I152 HydrophobicContact CG2-CG2 4.36Å; L147-I152 HydrophobicContact CB-CD1 4.03Å; L147-I152 HydrophobicContact CD1-CD1 4.48Å; L147-I152 HydrophobicContact CD2-CD1 4.38Å; N150-I152 HydrophobicContact CB-CD1 4Å; N150-I152 HydrophobicContact CB-CG1 3.89Å; I152-L155 HydrophobicContact CG2-CD2 3.62Å; I152-L155 HydrophobicContact CG2-CG 4.12Å; I152-L171 HydrophobicContact CD1-CD2 4.06Å; I152-N174 HydrophobicContact CB-CB 4.23Å; I152-N174 VanDerWaalsContact CB-OD1 3.26Å; I152-N174 WeakPolarHBondContact CB-OD1 3.5Å; I152-N174 WeakPolarHBondContact CG1-OD1 3.37Å; I152-N174 PolarHBondContact N-OD1 2.82Å; I152-F175 CarbonylContact O-C 3.47Å; I152-F175 VanDerWaalsContact O-C 3.26Å; I152-F175 WeakPolarHBondContact O-CA 3.42Å; I152-F175 PolarHBondContact O-N 2.84Å; I152-L176 HydrophobicContact CG2-CD2 3.9Å; I152-L176 PolarHBondContact O-N 3.36Å
153	S	96.6	Very high	95.5	Very high	61 Å²	61	27.4 Å²	27.4	43%	0.427	15%	0.153	S	C	.	.			trans	-101	-18.7	174.4	66.8	0	0	0	0	113.4	K129 H151 F175	K129-S153 PolarHBondContact O-N 3.1Å; H151-S153 PolarHBondContact O-N 3.44Å; S153-F175 WeakPolarHBondContact CA-O 3.37Å
154	Y	94.7	Very high	95.3	Very high	119 Å²	119	27.7 Å²	27.7	47%	0.467	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	135.4	-176.6	179.7	-97.8	0	0	0	111.5	T130 V131 D156	T130-Y154 WeakPolarHBondContact CA-O 3.28Å; V131-Y154 PolarHBondContact N-O 2.95Å; Y154-D156 HydrophobicContact CE1-CB 3.99Å
155	L	94.8	Very high	95.2	Very high	20 Å²	20	30.6 Å²	30.6	11%	0.105	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.8	173.9	-66	174.8	0	0	0	108.7	V131 I152 F160 L171 L176 P180	V131-L155 HydrophobicContact CB-CD2 3.69Å; V131-L155 HydrophobicContact CG2-CD2 3.79Å; I152-L155 HydrophobicContact CG2-CD2 3.62Å; I152-L155 HydrophobicContact CG2-CG 4.12Å; L155-F160 HydrophobicContact CB-CE2 4.35Å; L155-F160 HydrophobicContact CD2-CE2 4.14Å; L155-F160 HydrophobicContact CD2-CZ 3.98Å; L155-L171 HydrophobicContact CD1-CD1 3.57Å; L155-L171 HydrophobicContact CD1-CD2 4.2Å; L155-L171 HydrophobicContact CD2-CD2 4.27Å; L155-L176 HydrophobicContact CD1-CD1 3.9Å; L155-L176 HydrophobicContact CD1-CD2 3.85Å; L155-L176 HydrophobicContact CG-CD2 3.72Å; L155-P180 HydrophobicContact CD1-CB 4.33Å; L155-P180 HydrophobicContact CD1-CG 4.49Å
156	D	94.3	Very high	95.2	Very high	38 Å²	38	30.6 Å²	30.6	20%	0.203	17%	0.173	C	C	.	.			trans	-85.1	121.9	167.3	-169.6	-33.1	0	0	0	108.9	V131 K132 Y154 S158 A159	V131-D156 WeakPolarHBondContact O-CB 3.41Å; V131-D156 PolarHBondContact O-N 3.32Å; K132-D156 HydrophobicContact CB-CB 4.4Å; Y154-D156 HydrophobicContact CE1-CB 3.99Å; D156-S158 PolarHBondContact O-N 2.76Å; D156-S158 VanDerWaalsContact O-N 3.13Å; D156-S158 VanDerWaalsContact OD1-CB 3.31Å; D156-S158 WeakPolarHBondContact OD1-CB 3.27Å; D156-S158 PolarHBondContact OD1-N 3.08Å; D156-S158 PolarHBondContact OD1-OG 2.86Å; D156-S158 PolarHBondContact OD2-OG 2.65Å; D156-A159 VanDerWaalsContact O-CB 3.27Å; D156-A159 WeakPolarHBondContact O-CB 3.17Å; D156-A159 PolarHBondContact O-N 3.49Å
157	P	91.7	Very high	95	Very high	24 Å²	24	34.3 Å²	34.3	16%	0.156	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-56.7	-30.5	178.8	-25.2	35	0	0	0	113.1	A159 F160 D182 F188	P157-A159 PolarHBondContact O-N 3.2Å; P157-A159 VanDerWaalsContact O-N 3.16Å; P157-F160 PolarHBondContact O-N 2.95Å; P157-D182 HydrophobicContact CB-CB 3.66Å; P157-D182 HydrophobicContact CG-CB 3.44Å; P157-D182 VanDerWaalsContact CG-CB 3.44Å; P157-D182 WeakPolarHBondContact CG-OD2 3.39Å; P157-F188 HydrophobicContact CB-CB 3.97Å; P157-F188 HydrophobicContact CB-CD2 3.83Å; P157-F188 HydrophobicContact CB-CG 4.19Å; P157-F188 WeakPolarHBondContact O-CB 3.36Å
158	S	93.5	Very high	95	Very high	27 Å²	27	36.3 Å²	36.3	19%	0.189	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-63.3	-21.2	178.4	69.6	0	0	0	0	113.3	D156 F160 G161	D156-S158 PolarHBondContact O-N 2.76Å; D156-S158 VanDerWaalsContact O-N 3.13Å; D156-S158 VanDerWaalsContact OD1-CB 3.31Å; D156-S158 WeakPolarHBondContact OD1-CB 3.27Å; D156-S158 PolarHBondContact OD1-N 3.08Å; D156-S158 PolarHBondContact OD1-OG 2.86Å; D156-S158 PolarHBondContact OD2-OG 2.65Å; S158-F160 VanDerWaalsContact C-N 3.25Å; S158-F160 PolarHBondContact O-N 3.27Å; S158-G161 PolarHBondContact O-N 3.26Å; S158-G161 VanDerWaalsContact O-N 3.08Å
159	A	94.4	Very high	95	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-67.5	-26.1	178.2	0	0	0	0	0	114.9	V131 N133 V135 F136 D156 P157	V131-A159 HydrophobicContact CG1-CB 3.66Å; N133-A159 WeakPolarHBondContact O-CA 3.31Å; N133-A159 WeakPolarHBondContact O-CB 3.05Å; V135-A159 HydrophobicContact CG2-CB 4.14Å; F136-A159 WeakPolarHBondContact CB-O 3.28Å; F136-A159 PolarHBondContact N-O 3.24Å; D156-A159 VanDerWaalsContact O-CB 3.27Å; D156-A159 WeakPolarHBondContact O-CB 3.17Å; D156-A159 PolarHBondContact O-N 3.49Å; P157-A159 PolarHBondContact O-N 3.2Å; P157-A159 VanDerWaalsContact O-N 3.16Å
160	F	94.1	Very high	95	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-96.6	-0.5	175.8	-53.3	-87.3	0	0	0	111.5	V131 F136 L145 L155 P157 S158 G162 L163 L169 L183 L190	V131-F160 HydrophobicContact CG1-CE2 4.42Å; V131-F160 HydrophobicContact CG1-CZ 4.19Å; F136-F160 HydrophobicContact CD2-CD1 4.45Å; F136-F160 HydrophobicContact CD2-CE1 4.41Å; F136-F160 HydrophobicContact CE2-CE1 4.44Å; L145-F160 HydrophobicContact CD2-CD1 4.35Å; L145-F160 HydrophobicContact CD2-CE1 3.95Å; L155-F160 HydrophobicContact CB-CE2 4.35Å; L155-F160 HydrophobicContact CD2-CE2 4.14Å; L155-F160 HydrophobicContact CD2-CZ 3.98Å; P157-F160 PolarHBondContact O-N 2.95Å; S158-F160 VanDerWaalsContact C-N 3.25Å; S158-F160 PolarHBondContact O-N 3.27Å; F160-G162 PolarHBondContact O-N 2.83Å; F160-L163 HydrophobicContact CB-CD1 4.03Å; F160-L163 HydrophobicContact CD1-CD1 3.82Å; F160-L163 HydrophobicContact CG-CD1 4.4Å; F160-L163 WeakPolarHBondContact O-CB 3.29Å; F160-L163 WeakPolarHBondContact O-CG 3.42Å; F160-L163 PolarHBondContact O-N 3.15Å; F160-L163 VanDerWaalsContact O-N 3.09Å; F160-L169 HydrophobicContact CD1-CD2 4.39Å; F160-L169 HydrophobicContact CE1-CD1 4.15Å; F160-L169 HydrophobicContact CE1-CD2 3.93Å; F160-L169 HydrophobicContact CZ-CD2 4.37Å; F160-L183 HydrophobicContact CB-CD2 4.09Å; F160-L183 HydrophobicContact CD2-CD2 3.73Å; F160-L183 HydrophobicContact CE2-CD2 4.38Å; F160-L183 HydrophobicContact CG-CD2 3.96Å; F160-L190 HydrophobicContact CB-CD1 4.32Å; F160-L190 HydrophobicContact CB-CD2 4.25Å
161	G	88.6	Confident	95	Very high	12 Å²	12	33.1 Å²	33.1	12%	0.124	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	119.9	177.2	0	0	0	0	0	110.7	Q137 S158	Q137-G161 WeakPolarHBondContact CA-O 3.46Å; Q137-G161 WeakPolarHBondContact CB-O 3.42Å; Q137-G161 VanDerWaalsContact CG-O 3.29Å; Q137-G161 WeakPolarHBondContact CG-O 3.38Å; S158-G161 PolarHBondContact O-N 3.26Å; S158-G161 VanDerWaalsContact O-N 3.08Å
162	G	86.4	Confident	95	Very high	37 Å²	37	28.9 Å²	28.9	38%	0.381	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.6	-11.2	-177.1	0	0	0	0	0	114.8	F160 S164	F160-G162 PolarHBondContact O-N 2.83Å; G162-S164 PolarHBondContact O-N 2.96Å
163	L	95.2	Very high	95	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	17%	0.174	C	C	.	.			trans	-78.1	61.4	176.5	-61.8	-175.5	0	0	0	112.4	F136 L139 L142 F160 Q165 L166 L190	F136-L163 HydrophobicContact CB-CD1 4Å; F136-L163 HydrophobicContact CB-CD2 4Å; F136-L163 HydrophobicContact CB-CG 4.24Å; F136-L163 WeakPolarHBondContact O-CD2 3.01Å; L139-L163 HydrophobicContact CB-CD2 3.79Å; L139-L163 WeakPolarHBondContact O-CD2 3.32Å; L142-L163 HydrophobicContact CB-CD2 4.18Å; L142-L163 HydrophobicContact CD2-CD2 4.14Å; F160-L163 HydrophobicContact CB-CD1 4.03Å; F160-L163 HydrophobicContact CD1-CD1 3.82Å; F160-L163 HydrophobicContact CG-CD1 4.4Å; F160-L163 WeakPolarHBondContact O-CB 3.29Å; F160-L163 WeakPolarHBondContact O-CG 3.42Å; F160-L163 PolarHBondContact O-N 3.15Å; F160-L163 VanDerWaalsContact O-N 3.09Å; L163-Q165 PolarHBondContact O-N 2.86Å; L163-L166 HydrophobicContact CB-CB 4.02Å; L163-L166 HydrophobicContact CD1-CD2 3.99Å; L163-L166 PolarHBondContact O-N 3.36Å; L163-L190 HydrophobicContact CB-CD2 3.89Å; L163-L190 WeakPolarHBondContact O-CD2 3.37Å
164	S	93.4	Very high	95.1	Very high	61 Å²	61	27.2 Å²	27.2	43%	0.427	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23	-173.7	46.2	0	0	0	0	115.1	K140 G162	K140-S164 PolarHBondContact O-OG 2.85Å; G162-S164 PolarHBondContact O-N 2.96Å
165	Q	96.4	Very high	95.2	Very high	83 Å²	83	25.4 Å²	25.4	39%	0.388	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	7.5	-177	-63.4	-171.5	0.9	0	0	113.4	L142 L163 Q167	L142-Q165 CarbonylContact O-C 3.04Å; L163-Q165 PolarHBondContact O-N 2.86Å; Q165-Q167 PolarHBondContact O-N 3.29Å
166	L	97.4	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.146	C	C	.	.			trans	-69.9	119.3	-176	-169.1	76.4	0	0	0	110.5	L142 L145 L163 L169 L190 E192 L193	L142-L166 HydrophobicContact CB-CD1 4.44Å; L142-L166 HydrophobicContact CD2-CD1 4Å; L142-L166 HydrophobicContact CG-CD1 4.04Å; L142-L166 WeakPolarHBondContact O-CA 3.28Å; L142-L166 PolarHBondContact O-N 3.22Å; L145-L166 HydrophobicContact CB-CD1 3.79Å; L163-L166 HydrophobicContact CB-CB 4.02Å; L163-L166 HydrophobicContact CD1-CD2 3.99Å; L163-L166 PolarHBondContact O-N 3.36Å; L166-L169 HydrophobicContact CD2-CB 4.23Å; L166-L190 HydrophobicContact CD2-CD1 3.94Å; L166-E192 CarbonylContact O-C 3.54Å; L166-L193 VanDerWaalsContact O-CA 3.27Å; L166-L193 WeakPolarHBondContact O-CA 3.33Å; L166-L193 PolarHBondContact O-N 3.15Å; L166-L193 VanDerWaalsContact O-N 3.14Å
167	Q	96.2	Very high	95.5	Very high	77 Å²	77	26.6 Å²	26.6	36%	0.36	16%	0.159	S	C	.	.			trans	-103.7	-35.3	-178.1	-67.2	172.8	15.6	0	0	112.6	E143 Q165 E192 M194 F195	E143-Q167 PolarHBondContact O-N 3.49Å; Q165-Q167 PolarHBondContact O-N 3.29Å; Q167-E192 VanDerWaalsContact CA-O 3.32Å; Q167-E192 WeakPolarHBondContact CA-O 3.44Å; Q167-E192 HydrophobicContact CG-CB 4.28Å; Q167-M194 PolarHBondContact O-N 2.68Å; Q167-F195 PolarHBondContact O-N 3.26Å
168	K	97.6	Very high	95.6	Very high	43 Å²	43	32.6 Å²	32.6	19%	0.187	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.1	-174	-52.9	-173.3	174.6	-178	0	111.1	E143 V144 L145 Y170 F195 D514	E143-K168 PolarHBondContact O-N 3.4Å; V144-K168 HydrophobicContact CG1-CB 4.2Å; V144-K168 HydrophobicContact CG2-CB 4.3Å; V144-K168 HydrophobicContact CG2-CD 4.31Å; V144-K168 HydrophobicContact CG2-CG 4.46Å; L145-K168 PolarHBondContact N-O 2.57Å; K168-Y170 HydrophobicContact CB-CE2 3.89Å; K168-F195 WeakPolarHBondContact CA-O 3.4Å; K168-F195 HydrophobicContact CB-CB 4.19Å; K168-F195 HydrophobicContact CB-CD1 4.48Å; K168-F195 HydrophobicContact CG-CB 3.94Å; K168-D514 IonicContact NZ-OD1 2.69Å; K168-D514 PolarHBondContact NZ-OD1 2.89Å
169	L	97.9	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	116.3	175.8	179.6	55.7	0	0	0	110.1	L145 L147 F160 L166 L171 L183 L193 F195 L196 D197	L145-L169 HydrophobicContact CB-CD1 4.02Å; L145-L169 HydrophobicContact CD2-CD1 3.89Å; L145-L169 HydrophobicContact CG-CD1 3.91Å; L145-L169 WeakPolarHBondContact O-CA 3.36Å; L147-L169 HydrophobicContact CD1-CD1 4.24Å; F160-L169 HydrophobicContact CD1-CD2 4.39Å; F160-L169 HydrophobicContact CE1-CD1 4.15Å; F160-L169 HydrophobicContact CE1-CD2 3.93Å; F160-L169 HydrophobicContact CZ-CD2 4.37Å; L166-L169 HydrophobicContact CD2-CB 4.23Å; L169-L171 HydrophobicContact CD1-CD1 4.38Å; L169-L171 HydrophobicContact CD1-CG 4.25Å; L169-L171 HydrophobicContact CD2-CD1 3.81Å; L169-L171 HydrophobicContact CG-CD1 3.86Å; L169-L171 HydrophobicContact CG-CG 4.11Å; L169-L183 HydrophobicContact CD2-CD1 3.78Å; L169-L193 HydrophobicContact CB-CD1 3.92Å; L169-F195 PolarHBondContact N-O 2.72Å; L169-L196 HydrophobicContact CB-CD1 4.05Å; L169-L196 HydrophobicContact CD2-CD1 3.9Å; L169-L196 HydrophobicContact CG-CD1 3.94Å; L169-L196 WeakPolarHBondContact O-CA 3.08Å; L169-D197 PolarHBondContact O-N 3.45Å
170	Y	98.4	Very high	95.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.4	177.8	-63	-100.1	0	0	0	110.3	V144 L145 L146 L147 Y148 K168 F195 D197 F517	V144-Y170 HydrophobicContact CG1-CE2 4.2Å; L145-Y170 PolarHBondContact O-N 3.06Å; L146-Y170 HydrophobicContact CD2-CD2 4.47Å; L146-Y170 HydrophobicContact CG-CD2 4Å; L147-Y170 CarbonylContact C-O 3.48Å; L147-Y170 VanDerWaalsContact CA-O 3.29Å; L147-Y170 WeakPolarHBondContact CA-O 3.31Å; L147-Y170 WeakPolarHBondContact CB-O 3.12Å; L147-Y170 PolarHBondContact N-O 3.42Å; Y148-Y170 PolarHBondContact N-O 3.49Å; K168-Y170 HydrophobicContact CB-CE2 3.89Å; Y170-F195 AromaticContact CD1-CE1 3.71Å; Y170-F195 HydrophobicContact CD1-CE1 3.71Å; Y170-F195 HydrophobicContact CD1-CZ 4.45Å; Y170-F195 HydrophobicContact CE1-CD1 4.11Å; Y170-F195 AromaticContact CE1-CE1 3.23Å; Y170-F195 HydrophobicContact CE1-CE1 3.23Å; Y170-F195 AromaticContact CE1-CZ 3.71Å; Y170-F195 HydrophobicContact CE1-CZ 3.71Å; Y170-F195 HydrophobicContact CE2-CD1 4.34Å; Y170-F195 HydrophobicContact CE2-CE1 4.24Å; Y170-F195 HydrophobicContact CG-CE1 4.39Å; Y170-F195 AromaticContact CZ-CD1 3.98Å; Y170-F195 AromaticContact CZ-CE1 3.53Å; Y170-D197 HydrophobicContact CD1-CB 4.13Å; Y170-F517 AromaticContact CD1-CD2 3.84Å; Y170-F517 HydrophobicContact CD1-CD2 3.84Å; Y170-F517 HydrophobicContact CD1-CE2 4.11Å; Y170-F517 AromaticContact CE1-CD2 3.82Å; Y170-F517 HydrophobicContact CE1-CD2 3.82Å; Y170-F517 AromaticContact CE1-CE2 3.79Å; Y170-F517 HydrophobicContact CE1-CE2 3.79Å
171	L	98	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.			trans	-127.7	13.3	-179.9	-74.6	161.6	0	0	0	112	L147 I152 L155 L169 N174 L176 L196 D197 V198 N201	L147-L171 HydrophobicContact CB-CD2 3.83Å; L147-L171 HydrophobicContact CD1-CD2 4.06Å; I152-L171 HydrophobicContact CD1-CD2 4.06Å; L155-L171 HydrophobicContact CD1-CD1 3.57Å; L155-L171 HydrophobicContact CD1-CD2 4.2Å; L155-L171 HydrophobicContact CD2-CD2 4.27Å; L169-L171 HydrophobicContact CD1-CD1 4.38Å; L169-L171 HydrophobicContact CD1-CG 4.25Å; L169-L171 HydrophobicContact CD2-CD1 3.81Å; L169-L171 HydrophobicContact CG-CD1 3.86Å; L169-L171 HydrophobicContact CG-CG 4.11Å; L171-N174 WeakPolarHBondContact O-CB 3.02Å; L171-N174 PolarHBondContact O-ND2 3.19Å; L171-L176 HydrophobicContact CB-CD1 4.21Å; L171-L176 HydrophobicContact CD1-CD1 4.25Å; L171-L196 HydrophobicContact CD1-CD1 4.01Å; L171-D197 CarbonylContact C-O 3.58Å; L171-D197 VanDerWaalsContact C-O 3.28Å; L171-D197 VanDerWaalsContact CA-O 3.24Å; L171-D197 WeakPolarHBondContact CA-O 3.4Å; L171-D197 WeakPolarHBondContact CB-O 3.28Å; L171-D197 PolarHBondContact N-O 3.42Å; L171-V198 HydrophobicContact CB-CG1 4.11Å; L171-V198 HydrophobicContact CD1-CG1 4.22Å; L171-N201 PolarHBondContact O-ND2 2.87Å
172	S	97.9	Very high	95.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	20%	0.203	C	C	.	.			trans	-56.2	148.9	178.2	-174	0	0	0	0	112.9	Y148 N149 N174 D197 S199	Y148-S172 CarbonylContact C-O 3.58Å; Y148-S172 WeakPolarHBondContact CA-O 3.14Å; Y148-S172 VanDerWaalsContact CB-O 3.29Å; Y148-S172 WeakPolarHBondContact CB-O 3.44Å; N149-S172 PolarHBondContact N-O 2.89Å; S172-N174 PolarHBondContact O-N 3.37Å; S172-N174 PolarHBondContact O-ND2 3.35Å; S172-D197 WeakPolarHBondContact CB-OD2 3.41Å; S172-D197 PolarHBondContact N-O 3.31Å; S172-D197 VanDerWaalsContact N-O 3.13Å; S172-S199 VanDerWaalsContact CA-O 3.23Å; S172-S199 WeakPolarHBondContact CA-O 3.41Å; S172-S199 VanDerWaalsContact CB-OG 3.28Å; S172-S199 WeakPolarHBondContact CB-OG 3.49Å; S172-S199 PolarHBondContact OG-O 3.18Å; S172-S199 PolarHBondContact OG-OG 3.11Å
173	G	97.3	Very high	96.2	Very high	21 Å²	21	35.2 Å²	35.2	22%	0.216	19%	0.185	C	C	.	.	S	Bend	trans	64.5	42.9	175.6	0	0	0	0	0	113.1	N149 S199 Y200	N149-G173 WeakPolarHBondContact CA-O 3.42Å; G173-S199 PolarHBondContact N-O 2.89Å; G173-Y200 WeakPolarHBondContact CA-O 3.15Å; G173-Y200 PolarHBondContact N-O 2.95Å
174	N	98.5	Very high	96.1	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	19%	0.187	C	C	.	.	S	Bend	trans	-120.4	-168.3	174.9	-83	-77	0	0	0	110.3	L147 N150 H151 I152 L171 S172 N201	L147-N174 PolarHBondContact O-ND2 2.99Å; N150-N174 VanDerWaalsContact CA-OD1 3.29Å; N150-N174 WeakPolarHBondContact CA-OD1 3.13Å; N150-N174 WeakPolarHBondContact CB-OD1 3.21Å; N150-N174 PolarHBondContact N-OD1 3.08Å; N150-N174 PolarHBondContact O-OD1 3.16Å; H151-N174 PolarHBondContact N-OD1 3.38Å; I152-N174 HydrophobicContact CB-CB 4.23Å; I152-N174 VanDerWaalsContact CB-OD1 3.26Å; I152-N174 WeakPolarHBondContact CB-OD1 3.5Å; I152-N174 WeakPolarHBondContact CG1-OD1 3.37Å; I152-N174 PolarHBondContact N-OD1 2.82Å; L171-N174 WeakPolarHBondContact O-CB 3.02Å; L171-N174 PolarHBondContact O-ND2 3.19Å; S172-N174 PolarHBondContact O-N 3.37Å; S172-N174 PolarHBondContact O-ND2 3.35Å; N174-N201 WeakPolarHBondContact CA-OD1 3.41Å; N174-N201 WeakPolarHBondContact CB-OD1 3.48Å; N174-N201 PolarHBondContact O-OD1 3.27Å
175	F	98	Very high	95.9	Very high	82 Å²	82	34 Å²	34	36%	0.36	17%	0.174	S	C	.	.			trans	-116.3	28.9	-178.1	-57.7	-68.7	0	0	0	112.9	H151 I152 S153 T177 N201 R202	H151-F175 HydrophobicContact CB-CD2 4.04Å; H151-F175 HydrophobicContact CB-CE2 3.84Å; H151-F175 AromaticContact CD2-CE2 3.54Å; H151-F175 AromaticContact CG-CE2 3.93Å; I152-F175 CarbonylContact O-C 3.47Å; I152-F175 VanDerWaalsContact O-C 3.26Å; I152-F175 WeakPolarHBondContact O-CA 3.42Å; I152-F175 PolarHBondContact O-N 2.84Å; S153-F175 WeakPolarHBondContact CA-O 3.37Å; F175-T177 PolarHBondContact O-N 3.26Å; F175-N201 PolarHBondContact N-OD1 3.05Å; F175-R202 HydrophobicContact CD1-CG 4.33Å
176	L	97.8	Very high	95.5	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	18%	0.183	C	C	.	.			trans	-63.3	126.9	-179.7	-60.2	175.5	0	0	0	110.4	I152 L155 L171 V198 N201 R202 I203	I152-L176 HydrophobicContact CG2-CD2 3.9Å; I152-L176 PolarHBondContact O-N 3.36Å; L155-L176 HydrophobicContact CD1-CD1 3.9Å; L155-L176 HydrophobicContact CD1-CD2 3.85Å; L155-L176 HydrophobicContact CG-CD2 3.72Å; L171-L176 HydrophobicContact CB-CD1 4.21Å; L171-L176 HydrophobicContact CD1-CD1 4.25Å; L176-V198 HydrophobicContact CD1-CG1 4.18Å; L176-N201 HydrophobicContact CB-CB 4.2Å; L176-N201 VanDerWaalsContact CB-OD1 3.29Å; L176-N201 WeakPolarHBondContact CB-OD1 3.5Å; L176-N201 VanDerWaalsContact CG-OD1 3.28Å; L176-N201 WeakPolarHBondContact CG-OD1 3.43Å; L176-N201 PolarHBondContact N-OD1 3.46Å; L176-R202 CarbonylContact O-C 3.4Å; L176-R202 WeakPolarHBondContact O-CA 3.44Å; L176-R202 WeakPolarHBondContact O-CB 3.44Å; L176-R202 PolarHBondContact O-N 2.75Å; L176-I203 HydrophobicContact CB-CG1 4.47Å; L176-I203 WeakPolarHBondContact O-CG1 3.42Å; L176-I203 PolarHBondContact O-N 3.03Å; L176-I203 VanDerWaalsContact O-N 3.17Å
177	T	96.2	Very high	95.1	Very high	78 Å²	78	43.3 Å²	43.3	48%	0.479	22%	0.223	S	C	.	.			trans	-99.5	-9.3	178.3	56.5	0	0	0	0	113.2	F175 R202 P204	F175-T177 PolarHBondContact O-N 3.26Å; T177-R202 HydrophobicContact CG2-CB 4.2Å; T177-P204 WeakPolarHBondContact O-CD 3.35Å
178	Q	95.2	Very high	94.8	Very high	150 Å²	150	42.8 Å²	42.8	70%	0.701	22%	0.22	S	C	*	.	S	Bend	trans	-135	143.7	-179.1	-66.7	179.4	-2.3	0	0	109.3
179	F	95.1	Very high	94.6	Very high	15 Å²	15	47 Å²	47	7%	0.066	24%	0.238	C	C	.	.			trans	-72.8	129.8	173	-176.6	-93.8	0	0	0	110	M181 Y184 L196 V198 I203 M206 P207 I222 L224	F179-M181 VanDerWaalsContact C-N 3.29Å; F179-M181 HydrophobicContact CD1-CG 3.76Å; F179-M181 HydrophobicContact CD1-SD 3.41Å; F179-M181 WeakPolarHBondContact CD1-SD 3.4Å; F179-M181 HydrophobicContact CE1-CG 4.24Å; F179-M181 HydrophobicContact CE1-SD 3.38Å; F179-M181 WeakPolarHBondContact CE1-SD 3.35Å; F179-M181 PolarHBondContact O-N 3.4Å; F179-Y184 HydrophobicContact CE1-CD2 4.17Å; F179-Y184 HydrophobicContact CE1-CE2 4.09Å; F179-Y184 HydrophobicContact CZ-CD2 4.37Å; F179-Y184 AromaticContact CZ-CE2 3.83Å; F179-Y184 HydrophobicContact CZ-CE2 3.83Å; F179-L196 HydrophobicContact CE2-CD2 4Å; F179-L196 HydrophobicContact CZ-CD2 3.88Å; F179-V198 HydrophobicContact CD2-CG2 4.14Å; F179-V198 HydrophobicContact CE2-CG2 4.08Å; F179-I203 HydrophobicContact CB-CD1 4.48Å; F179-I203 HydrophobicContact CB-CG2 4.44Å; F179-I203 HydrophobicContact CD2-CD1 4.45Å; F179-M206 HydrophobicContact CB-CE 4.38Å; F179-M206 HydrophobicContact CB-SD 3.9Å; F179-M206 HydrophobicContact CD1-CE 3.97Å; F179-M206 HydrophobicContact CD2-CE 3.71Å; F179-M206 HydrophobicContact CD2-SD 3.73Å; F179-M206 HydrophobicContact CE1-CE 4.18Å; F179-M206 HydrophobicContact CE2-CE 3.94Å; F179-M206 HydrophobicContact CE2-SD 4.45Å; F179-M206 HydrophobicContact CG-CE 3.73Å; F179-M206 HydrophobicContact CG-SD 3.8Å; F179-M206 HydrophobicContact CZ-CE 4.16Å; F179-P207 HydrophobicContact CD1-CG 4.38Å; F179-I222 HydrophobicContact CE2-CG2 3.6Å; F179-I222 HydrophobicContact CZ-CD1 4.06Å; F179-I222 HydrophobicContact CZ-CG2 3.84Å; F179-L224 HydrophobicContact CD2-CD2 3.84Å; F179-L224 HydrophobicContact CE2-CD2 3.83Å
180	P	94.3	Very high	94.4	Very high	16 Å²	16	47.2 Å²	47.2	10%	0.104	24%	0.239	C	C	.	.			trans	-79.6	70.4	-173.9	34.2	-37.3	0	0	0	112	L155 D182 L183 L196	L155-P180 HydrophobicContact CD1-CB 4.33Å; L155-P180 HydrophobicContact CD1-CG 4.49Å; P180-D182 PolarHBondContact O-N 2.6Å; P180-L183 HydrophobicContact CB-CD1 3.9Å; P180-L183 HydrophobicContact CB-CG 4.09Å; P180-L183 HydrophobicContact CG-CD1 3.94Å; P180-L183 WeakPolarHBondContact O-CB 3.35Å; P180-L183 PolarHBondContact O-N 3.08Å; P180-L196 HydrophobicContact CG-CD2 4.16Å
181	M	93.1	Very high	94	Very high	11 Å²	11	50.9 Å²	50.9	5%	0.054	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.5	-31.5	-179.5	-79.4	-56.1	-54.4	0	0	113.8	F179 L183 Y184 V185 P207 H210 I211 V214	F179-M181 VanDerWaalsContact C-N 3.29Å; F179-M181 HydrophobicContact CD1-CG 3.76Å; F179-M181 HydrophobicContact CD1-SD 3.41Å; F179-M181 WeakPolarHBondContact CD1-SD 3.4Å; F179-M181 HydrophobicContact CE1-CG 4.24Å; F179-M181 HydrophobicContact CE1-SD 3.38Å; F179-M181 WeakPolarHBondContact CE1-SD 3.35Å; F179-M181 PolarHBondContact O-N 3.4Å; M181-L183 PolarHBondContact O-N 3.12Å; M181-Y184 PolarHBondContact O-N 3.35Å; M181-V185 HydrophobicContact CB-CG2 4.22Å; M181-V185 HydrophobicContact CE-CG1 4.31Å; M181-V185 HydrophobicContact CE-CG2 4.28Å; M181-V185 WeakPolarHBondContact O-CG2 3.24Å; M181-V185 PolarHBondContact O-N 2.95Å; M181-P207 HydrophobicContact CG-CB 4.08Å; M181-P207 HydrophobicContact CG-CG 3.14Å; M181-P207 HydrophobicContact SD-CG 3.65Å; M181-H210 HydrophobicContact CE-CB 3.66Å; M181-H210 WeakPolarHBondContact CE-O 3.14Å; M181-I211 HydrophobicContact SD-CD1 4.43Å; M181-V214 HydrophobicContact CE-CG2 3.63Å
182	D	92.3	Very high	93.8	Very high	86 Å²	86	55.1 Å²	55.1	46%	0.46	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-62.6	-14.6	-177.7	-57	-65.4	0	0	0	113.6	P157 P180 Y184 V185 F188	P157-D182 HydrophobicContact CB-CB 3.66Å; P157-D182 HydrophobicContact CG-CB 3.44Å; P157-D182 VanDerWaalsContact CG-CB 3.44Å; P157-D182 WeakPolarHBondContact CG-OD2 3.39Å; P180-D182 PolarHBondContact O-N 2.6Å; D182-Y184 VanDerWaalsContact C-N 3.27Å; D182-V185 CarbonylContact C-O 3.55Å; D182-V185 VanDerWaalsContact CA-O 3.31Å; D182-V185 WeakPolarHBondContact CA-O 3.43Å; D182-F188 CarbonylContact O-C 3.57Å
183	L	93.5	Very high	93.7	Very high	4 Å²	4	55 Å²	55	2%	0.021	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-74.3	-19	171.7	-58.5	-176.9	0	0	0	112.6	F160 L169 P180 M181 K189 L190 L193	F160-L183 HydrophobicContact CB-CD2 4.09Å; F160-L183 HydrophobicContact CD2-CD2 3.73Å; F160-L183 HydrophobicContact CE2-CD2 4.38Å; F160-L183 HydrophobicContact CG-CD2 3.96Å; L169-L183 HydrophobicContact CD2-CD1 3.78Å; P180-L183 HydrophobicContact CB-CD1 3.9Å; P180-L183 HydrophobicContact CB-CG 4.09Å; P180-L183 HydrophobicContact CG-CD1 3.94Å; P180-L183 WeakPolarHBondContact O-CB 3.35Å; P180-L183 PolarHBondContact O-N 3.08Å; M181-L183 PolarHBondContact O-N 3.12Å; L183-K189 CarbonylContact O-C 3.59Å; L183-K189 WeakPolarHBondContact O-CA 3.42Å; L183-L190 HydrophobicContact CB-CD1 4.28Å; L183-L190 HydrophobicContact CD2-CD1 3.99Å; L183-L190 HydrophobicContact CD2-CG 4.48Å; L183-L190 PolarHBondContact O-N 3.25Å; L183-L193 HydrophobicContact CB-CD2 4.3Å
184	Y	92.9	Very high	93.4	Very high	11 Å²	11	55.7 Å²	55.7	4%	0.043	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-35	177	-63.9	-74.8	0	0	0	112.6	F179 M181 D182 K189 L193 L196 V214 Q218 I222	F179-Y184 HydrophobicContact CE1-CD2 4.17Å; F179-Y184 HydrophobicContact CE1-CE2 4.09Å; F179-Y184 HydrophobicContact CZ-CD2 4.37Å; F179-Y184 AromaticContact CZ-CE2 3.83Å; F179-Y184 HydrophobicContact CZ-CE2 3.83Å; M181-Y184 PolarHBondContact O-N 3.35Å; D182-Y184 VanDerWaalsContact C-N 3.27Å; Y184-K189 WeakPolarHBondContact O-CB 3.18Å; Y184-L193 HydrophobicContact CE1-CD2 3.91Å; Y184-L193 HydrophobicContact CE1-CG 4.37Å; Y184-L193 HydrophobicContact CE2-CD2 4.43Å; Y184-L196 HydrophobicContact CE2-CD2 3.65Å; Y184-L196 WeakPolarHBondContact OH-CB 3.23Å; Y184-L196 WeakPolarHBondContact OH-CD2 3.46Å; Y184-V214 HydrophobicContact CD1-CG1 3.68Å; Y184-V214 HydrophobicContact CE1-CG1 4.23Å; Y184-V214 HydrophobicContact CG-CG1 3.92Å; Y184-V214 HydrophobicContact CG-CG2 4.1Å; Y184-Q218 HydrophobicContact CD1-CB 4.17Å; Y184-Q218 HydrophobicContact CE1-CB 3.86Å; Y184-Q218 HydrophobicContact CE1-CG 4.49Å; Y184-I222 HydrophobicContact CE2-CD1 4.07Å; Y184-I222 HydrophobicContact CE2-CG1 4.46Å; Y184-I222 WeakPolarHBondContact OH-CG1 3.18Å
185	V	89.7	Confident	93.3	Very high	25 Å²	25	56.2 Å²	56.2	15%	0.152	28%	0.282	C	S	.	.	S	Bend	trans	-120	152.3	-176.9	-60.7	0	0	0	0	111.9	M181 D182 L213	M181-V185 HydrophobicContact CB-CG2 4.22Å; M181-V185 HydrophobicContact CE-CG1 4.31Å; M181-V185 HydrophobicContact CE-CG2 4.28Å; M181-V185 WeakPolarHBondContact O-CG2 3.24Å; M181-V185 PolarHBondContact O-N 2.95Å; D182-V185 CarbonylContact C-O 3.55Å; D182-V185 VanDerWaalsContact CA-O 3.31Å; D182-V185 WeakPolarHBondContact CA-O 3.43Å; V185-L213 HydrophobicContact CG1-CB 3.74Å; V185-L213 HydrophobicContact CG1-CD1 4.19Å
186	G	87.7	Confident	93.2	Very high	56 Å²	56	52.3 Å²	52.3	58%	0.577	27%	0.265	S	S	*	.	S	Bend	trans	85.8	-156.9	174.9	0	0	0	0	0	114.8
187	R	89.5	Confident	93.2	Very high	224 Å²	224	52 Å²	52	85%	0.845	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-33.2	-166.6	-178.9	177.6	177	168.8	0.1	113.8
188	F	90.3	Very high	93.3	Very high	66 Å²	66	48.3 Å²	48.3	29%	0.289	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	22.5	-173.9	-58.6	-72.6	0	0	0	112.6	P157 D182	P157-F188 HydrophobicContact CB-CB 3.97Å; P157-F188 HydrophobicContact CB-CD2 3.83Å; P157-F188 HydrophobicContact CB-CG 4.19Å; P157-F188 WeakPolarHBondContact O-CB 3.36Å; D182-F188 CarbonylContact O-C 3.57Å
189	K	92.6	Very high	93.4	Very high	131 Å²	131	41.2 Å²	41.2	57%	0.57	21%	0.207	S	C	*	.			trans	-57	142.4	178	70.8	177.2	-174.6	175	0	111.6	L183 Y184 P191	L183-K189 CarbonylContact O-C 3.59Å; L183-K189 WeakPolarHBondContact O-CA 3.42Å; Y184-K189 WeakPolarHBondContact O-CB 3.18Å; K189-P191 WeakPolarHBondContact O-CD 3.04Å
190	L	94.2	Very high	93.4	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	22%	0.219	C	C	.	.			trans	-102.8	102.2	177.4	-62.2	176.1	0	0	0	108.3	F160 L163 L166 L183 E192 L193 Q218	F160-L190 HydrophobicContact CB-CD1 4.32Å; F160-L190 HydrophobicContact CB-CD2 4.25Å; L163-L190 HydrophobicContact CB-CD2 3.89Å; L163-L190 WeakPolarHBondContact O-CD2 3.37Å; L166-L190 HydrophobicContact CD2-CD1 3.94Å; L183-L190 HydrophobicContact CB-CD1 4.28Å; L183-L190 HydrophobicContact CD2-CD1 3.99Å; L183-L190 HydrophobicContact CD2-CG 4.48Å; L183-L190 PolarHBondContact O-N 3.25Å; L190-E192 VanDerWaalsContact C-N 3.32Å; L190-E192 PolarHBondContact O-N 3.32Å; L190-L193 HydrophobicContact CB-CB 3.7Å; L190-L193 HydrophobicContact CB-CD2 4.39Å; L190-L193 HydrophobicContact CD1-CD2 4.08Å; L190-L193 PolarHBondContact O-N 3.34Å; L190-Q218 PolarHBondContact O-NE2 2.78Å
191	P	90.9	Very high	93.6	Very high	76 Å²	76	43.6 Å²	43.6	49%	0.494	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-33.5	-169.3	26.6	-34.2	0	0	0	112.9	K189 Q218	K189-P191 WeakPolarHBondContact O-CD 3.04Å; P191-Q218 PolarHBondContact O-NE2 2.86Å
192	E	93.3	Very high	93.8	Very high	89 Å²	89	49.5 Å²	49.5	42%	0.416	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	4.7	-178.2	-63.4	-58.6	144.2	0	0	113	L166 Q167 L190 M194	L166-E192 CarbonylContact O-C 3.54Å; Q167-E192 VanDerWaalsContact CA-O 3.32Å; Q167-E192 WeakPolarHBondContact CA-O 3.44Å; Q167-E192 HydrophobicContact CG-CB 4.28Å; L190-E192 VanDerWaalsContact C-N 3.32Å; L190-E192 PolarHBondContact O-N 3.32Å; E192-M194 WeakPolarHBondContact O-CG 3.48Å; E192-M194 PolarHBondContact O-N 2.81Å
193	L	94.9	Very high	94	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.214	C	C	.	.			trans	-69.4	110.7	-177	-175.3	68.5	0	0	0	110.1	L166 L169 L183 Y184 L190 F195 L196 Q218	L166-L193 VanDerWaalsContact O-CA 3.27Å; L166-L193 WeakPolarHBondContact O-CA 3.33Å; L166-L193 PolarHBondContact O-N 3.15Å; L166-L193 VanDerWaalsContact O-N 3.14Å; L169-L193 HydrophobicContact CB-CD1 3.92Å; L183-L193 HydrophobicContact CB-CD2 4.3Å; Y184-L193 HydrophobicContact CE1-CD2 3.91Å; Y184-L193 HydrophobicContact CE1-CG 4.37Å; Y184-L193 HydrophobicContact CE2-CD2 4.43Å; L190-L193 HydrophobicContact CB-CB 3.7Å; L190-L193 HydrophobicContact CB-CD2 4.39Å; L190-L193 HydrophobicContact CD1-CD2 4.08Å; L190-L193 PolarHBondContact O-N 3.34Å; L193-F195 WeakPolarHBondContact CD1-O 3.29Å; L193-L196 HydrophobicContact CD2-CB 4.41Å; L193-Q218 WeakPolarHBondContact O-CG 3.45Å; L193-Q218 PolarHBondContact O-NE2 2.87Å
194	M	91.9	Very high	94	Very high	36 Å²	36	47.7 Å²	47.7	18%	0.177	23%	0.23	C	C	.	.			trans	-111.2	-18	-174.4	-73.4	-56.1	-57.6	0	0	113.1	Q167 E192 K217 G221	Q167-M194 PolarHBondContact O-N 2.68Å; E192-M194 WeakPolarHBondContact O-CG 3.48Å; E192-M194 PolarHBondContact O-N 2.81Å; M194-K217 HydrophobicContact CE-CD 4.19Å; M194-K217 HydrophobicContact CE-CG 3.46Å; M194-K217 VanDerWaalsContact CE-CG 3.46Å; M194-K217 WeakPolarHBondContact CE-O 3.49Å; M194-K217 HydrophobicContact SD-CD 4.06Å; M194-K217 WeakPolarHBondContact SD-CE 3.37Å; M194-K217 HydrophobicContact SD-CG 3.66Å; M194-G221 WeakPolarHBondContact O-CA 3.14Å
195	F	95.6	Very high	93.9	Very high	14 Å²	14	50.2 Å²	50.2	6%	0.061	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	117.7	-176.9	-174	-78.3	0	0	0	109.1	Q167 K168 L169 Y170 L193 D197 G221 Y223 P516	Q167-F195 PolarHBondContact O-N 3.26Å; K168-F195 WeakPolarHBondContact CA-O 3.4Å; K168-F195 HydrophobicContact CB-CB 4.19Å; K168-F195 HydrophobicContact CB-CD1 4.48Å; K168-F195 HydrophobicContact CG-CB 3.94Å; L169-F195 PolarHBondContact N-O 2.72Å; Y170-F195 AromaticContact CD1-CE1 3.71Å; Y170-F195 HydrophobicContact CD1-CE1 3.71Å; Y170-F195 HydrophobicContact CD1-CZ 4.45Å; Y170-F195 HydrophobicContact CE1-CD1 4.11Å; Y170-F195 AromaticContact CE1-CE1 3.23Å; Y170-F195 HydrophobicContact CE1-CE1 3.23Å; Y170-F195 AromaticContact CE1-CZ 3.71Å; Y170-F195 HydrophobicContact CE1-CZ 3.71Å; Y170-F195 HydrophobicContact CE2-CD1 4.34Å; Y170-F195 HydrophobicContact CE2-CE1 4.24Å; Y170-F195 HydrophobicContact CG-CE1 4.39Å; Y170-F195 AromaticContact CZ-CD1 3.98Å; Y170-F195 AromaticContact CZ-CE1 3.53Å; L193-F195 WeakPolarHBondContact CD1-O 3.29Å; F195-D197 HydrophobicContact CD1-CB 4.39Å; F195-D197 HydrophobicContact CE1-CB 3.56Å; F195-D197 HydrophobicContact CZ-CB 4.18Å; F195-G221 WeakPolarHBondContact CA-O 3.37Å; F195-Y223 HydrophobicContact CD2-CD2 4.32Å; F195-Y223 AromaticContact CD2-CE2 3.59Å; F195-Y223 HydrophobicContact CD2-CE2 3.59Å; F195-Y223 HydrophobicContact CE1-CD2 4.43Å; F195-Y223 AromaticContact CE2-CD2 3.83Å; F195-Y223 HydrophobicContact CE2-CD2 3.83Å; F195-Y223 AromaticContact CE2-CE2 3.14Å; F195-Y223 HydrophobicContact CE2-CE2 3.14Å; F195-Y223 AromaticContact CE2-CZ 3.7Å; F195-Y223 HydrophobicContact CG-CE2 4.44Å; F195-Y223 AromaticContact CZ-CD2 3.88Å; F195-Y223 HydrophobicContact CZ-CD2 3.88Å; F195-Y223 AromaticContact CZ-CE2 3.66Å; F195-Y223 HydrophobicContact CZ-CE2 3.66Å; F195-P516 HydrophobicContact CZ-CB 4.2Å
196	L	97.1	Very high	94	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	111.7	173.9	175.7	63.9	0	0	0	108.7	L169 L171 F179 P180 Y184 L193 V198 G221 I222 Y223	L169-L196 HydrophobicContact CB-CD1 4.05Å; L169-L196 HydrophobicContact CD2-CD1 3.9Å; L169-L196 HydrophobicContact CG-CD1 3.94Å; L169-L196 WeakPolarHBondContact O-CA 3.08Å; L171-L196 HydrophobicContact CD1-CD1 4.01Å; F179-L196 HydrophobicContact CE2-CD2 4Å; F179-L196 HydrophobicContact CZ-CD2 3.88Å; P180-L196 HydrophobicContact CG-CD2 4.16Å; Y184-L196 HydrophobicContact CE2-CD2 3.65Å; Y184-L196 WeakPolarHBondContact OH-CB 3.23Å; Y184-L196 WeakPolarHBondContact OH-CD2 3.46Å; L193-L196 HydrophobicContact CD2-CB 4.41Å; L196-V198 HydrophobicContact CD1-CG1 3.94Å; L196-V198 HydrophobicContact CD2-CG1 4.28Å; L196-V198 HydrophobicContact CG-CG1 3.97Å; L196-G221 PolarHBondContact N-O 3.38Å; L196-I222 WeakPolarHBondContact O-CA 3.34Å; L196-Y223 PolarHBondContact O-N 3.01Å
197	D	97.7	Very high	94.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	104.7	175.7	177.5	12.3	0	0	0	110.4	L169 Y170 L171 S172 F195 S199 P516	L169-D197 PolarHBondContact O-N 3.45Å; Y170-D197 HydrophobicContact CD1-CB 4.13Å; L171-D197 CarbonylContact C-O 3.58Å; L171-D197 VanDerWaalsContact C-O 3.28Å; L171-D197 VanDerWaalsContact CA-O 3.24Å; L171-D197 WeakPolarHBondContact CA-O 3.4Å; L171-D197 WeakPolarHBondContact CB-O 3.28Å; L171-D197 PolarHBondContact N-O 3.42Å; S172-D197 WeakPolarHBondContact CB-OD2 3.41Å; S172-D197 PolarHBondContact N-O 3.31Å; S172-D197 VanDerWaalsContact N-O 3.13Å; F195-D197 HydrophobicContact CD1-CB 4.39Å; F195-D197 HydrophobicContact CE1-CB 3.56Å; F195-D197 HydrophobicContact CZ-CB 4.18Å; D197-S199 WeakPolarHBondContact OD1-CB 3.24Å; D197-S199 PolarHBondContact OD1-N 2.79Å; D197-S199 PolarHBondContact OD1-OG 2.91Å; D197-P516 WeakPolarHBondContact OD2-CB 3.33Å
198	V	97.4	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.			trans	-113.7	25.7	172.4	-64.6	0	0	0	0	110.8	L171 L176 F179 L196 N201 I203 Y223 L224 N227	L171-V198 HydrophobicContact CB-CG1 4.11Å; L171-V198 HydrophobicContact CD1-CG1 4.22Å; L176-V198 HydrophobicContact CD1-CG1 4.18Å; F179-V198 HydrophobicContact CD2-CG2 4.14Å; F179-V198 HydrophobicContact CE2-CG2 4.08Å; L196-V198 HydrophobicContact CD1-CG1 3.94Å; L196-V198 HydrophobicContact CD2-CG1 4.28Å; L196-V198 HydrophobicContact CG-CG1 3.97Å; V198-N201 WeakPolarHBondContact O-CB 3.44Å; V198-N201 PolarHBondContact O-ND2 2.76Å; V198-N201 VanDerWaalsContact O-ND2 3.1Å; V198-I203 HydrophobicContact CB-CD1 4.14Å; V198-I203 HydrophobicContact CG2-CD1 3.94Å; V198-Y223 CarbonylContact C-O 3.1Å; V198-Y223 VanDerWaalsContact CG2-O 3.27Å; V198-Y223 WeakPolarHBondContact CG2-O 3.33Å; V198-Y223 PolarHBondContact N-O 2.99Å; V198-L224 HydrophobicContact CG2-CD2 3.55Å; V198-N227 PolarHBondContact O-ND2 3.13Å
199	S	97.1	Very high	93.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.			trans	-59.3	159.6	174.6	62.4	0	0	0	0	111.8	S172 G173 D197 N201 Y223 H225	S172-S199 VanDerWaalsContact CA-O 3.23Å; S172-S199 WeakPolarHBondContact CA-O 3.41Å; S172-S199 VanDerWaalsContact CB-OG 3.28Å; S172-S199 WeakPolarHBondContact CB-OG 3.49Å; S172-S199 PolarHBondContact OG-O 3.18Å; S172-S199 PolarHBondContact OG-OG 3.11Å; G173-S199 PolarHBondContact N-O 2.89Å; D197-S199 WeakPolarHBondContact OD1-CB 3.24Å; D197-S199 PolarHBondContact OD1-N 2.79Å; D197-S199 PolarHBondContact OD1-OG 2.91Å; S199-N201 VanDerWaalsContact C-N 3.25Å; S199-N201 PolarHBondContact O-N 2.8Å; S199-N201 VanDerWaalsContact O-N 3.12Å; S199-N201 PolarHBondContact O-ND2 3.01Å; S199-Y223 PolarHBondContact N-O 2.8Å; S199-H225 CarbonylContact C-O 3.57Å; S199-H225 WeakPolarHBondContact CA-O 3.38Å; S199-H225 VanDerWaalsContact CB-NE2 3.31Å; S199-H225 WeakPolarHBondContact CB-NE2 3.38Å; S199-H225 VanDerWaalsContact CB-O 3.25Å; S199-H225 WeakPolarHBondContact CB-O 3.47Å
200	Y	96.6	Very high	92.8	Very high	78 Å²	78	43.4 Å²	43.4	31%	0.306	22%	0.217	S	C	.	.	S	Bend	trans	50.5	43.4	176.4	-59.6	-79.1	0	0	0	113.8	G173 H225 D256 A519	G173-Y200 WeakPolarHBondContact CA-O 3.15Å; G173-Y200 PolarHBondContact N-O 2.95Å; Y200-H225 AromaticContact CE2-CE1 3.53Å; Y200-H225 AromaticContact CE2-ND1 3.83Å; Y200-H225 PolarHBondContact N-O 2.92Å; Y200-D256 PolarHBondContact OH-OD2 2.69Å; Y200-A519 HydrophobicContact CD2-CB 4.48Å
201	N	98	Very high	92.3	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	-110.3	-159.2	175	-88.3	-86.2	0	0	0	110.6	L171 N174 F175 L176 V198 S199 I203 N227 P228	L171-N201 PolarHBondContact O-ND2 2.87Å; N174-N201 WeakPolarHBondContact CA-OD1 3.41Å; N174-N201 WeakPolarHBondContact CB-OD1 3.48Å; N174-N201 PolarHBondContact O-OD1 3.27Å; F175-N201 PolarHBondContact N-OD1 3.05Å; L176-N201 HydrophobicContact CB-CB 4.2Å; L176-N201 VanDerWaalsContact CB-OD1 3.29Å; L176-N201 WeakPolarHBondContact CB-OD1 3.5Å; L176-N201 VanDerWaalsContact CG-OD1 3.28Å; L176-N201 WeakPolarHBondContact CG-OD1 3.43Å; L176-N201 PolarHBondContact N-OD1 3.46Å; V198-N201 WeakPolarHBondContact O-CB 3.44Å; V198-N201 PolarHBondContact O-ND2 2.76Å; V198-N201 VanDerWaalsContact O-ND2 3.1Å; S199-N201 VanDerWaalsContact C-N 3.25Å; S199-N201 PolarHBondContact O-N 2.8Å; S199-N201 VanDerWaalsContact O-N 3.12Å; S199-N201 PolarHBondContact O-ND2 3.01Å; N201-I203 HydrophobicContact CB-CD1 4.49Å; N201-I203 HydrophobicContact CB-CG1 4.31Å; N201-N227 VanDerWaalsContact CA-OD1 3.24Å; N201-N227 WeakPolarHBondContact CA-OD1 3.47Å; N201-N227 WeakPolarHBondContact CB-OD1 3.15Å; N201-N227 PolarHBondContact N-OD1 3.39Å; N201-N227 PolarHBondContact O-OD1 3.13Å; N201-P228 VanDerWaalsContact O-CD 3.28Å; N201-P228 WeakPolarHBondContact O-CD 3.29Å
202	R	96.8	Very high	91.6	Very high	134 Å²	134	43.5 Å²	43.5	51%	0.506	21%	0.213	S	C	.	.			trans	-119	28.1	-178.9	-59.7	-64	-169.8	-175.3	1.9	112.5	F175 L176 T177 P204 N227	F175-R202 HydrophobicContact CD1-CG 4.33Å; L176-R202 CarbonylContact O-C 3.4Å; L176-R202 WeakPolarHBondContact O-CA 3.44Å; L176-R202 WeakPolarHBondContact O-CB 3.44Å; L176-R202 PolarHBondContact O-N 2.75Å; T177-R202 HydrophobicContact CG2-CB 4.2Å; R202-P204 WeakPolarHBondContact O-CD 3.29Å; R202-N227 PolarHBondContact N-OD1 2.74Å
203	I	96.1	Very high	91.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.			trans	-76	119.8	-176.3	-56.7	172.7	0	0	0	109.6	L176 F179 V198 N201 S205 N227 F229	L176-I203 HydrophobicContact CB-CG1 4.47Å; L176-I203 WeakPolarHBondContact O-CG1 3.42Å; L176-I203 PolarHBondContact O-N 3.03Å; L176-I203 VanDerWaalsContact O-N 3.17Å; F179-I203 HydrophobicContact CB-CD1 4.48Å; F179-I203 HydrophobicContact CB-CG2 4.44Å; F179-I203 HydrophobicContact CD2-CD1 4.45Å; V198-I203 HydrophobicContact CB-CD1 4.14Å; V198-I203 HydrophobicContact CG2-CD1 3.94Å; N201-I203 HydrophobicContact CB-CD1 4.49Å; N201-I203 HydrophobicContact CB-CG1 4.31Å; I203-S205 WeakPolarHBondContact CG2-O 3.37Å; I203-N227 HydrophobicContact CB-CB 4.41Å; I203-N227 WeakPolarHBondContact CB-OD1 3.28Å; I203-N227 PolarHBondContact N-OD1 3.46Å; I203-F229 HydrophobicContact CB-CE1 4.5Å; I203-F229 HydrophobicContact CG2-CE1 4.17Å
204	P	93.3	Very high	90.9	Very high	52 Å²	52	44.8 Å²	44.8	34%	0.338	22%	0.223	S	C	.	.			trans	-88.8	-26.1	-177.7	33.7	-33.1	0	0	0	113.7	T177 R202 F229 V230	T177-P204 WeakPolarHBondContact O-CD 3.35Å; R202-P204 WeakPolarHBondContact O-CD 3.29Å; P204-F229 CarbonylContact O-C 3.39Å; P204-F229 WeakPolarHBondContact O-CA 3.18Å; P204-V230 HydrophobicContact CB-CG2 4.33Å; P204-V230 PolarHBondContact O-N 3.28Å
205	S	92.1	Very high	90.6	Very high	64 Å²	64	46 Å²	46	45%	0.448	23%	0.233	S	C	.	.			trans	-156.2	159.3	-177.3	59.8	0	0	0	0	111.8	I203	I203-S205 WeakPolarHBondContact CG2-O 3.37Å
206	M	90.9	Very high	90	Very high	17 Å²	17	45.4 Å²	45.4	8%	0.084	23%	0.231	C	C	.	.			trans	-101.6	140.9	178.1	-72.9	-63.7	-68.5	0	0	111.3	F179 M208 I211 L224 F229 L235 L238	F179-M206 HydrophobicContact CB-CE 4.38Å; F179-M206 HydrophobicContact CB-SD 3.9Å; F179-M206 HydrophobicContact CD1-CE 3.97Å; F179-M206 HydrophobicContact CD2-CE 3.71Å; F179-M206 HydrophobicContact CD2-SD 3.73Å; F179-M206 HydrophobicContact CE1-CE 4.18Å; F179-M206 HydrophobicContact CE2-CE 3.94Å; F179-M206 HydrophobicContact CE2-SD 4.45Å; F179-M206 HydrophobicContact CG-CE 3.73Å; F179-M206 HydrophobicContact CG-SD 3.8Å; F179-M206 HydrophobicContact CZ-CE 4.16Å; M206-M208 HydrophobicContact CB-SD 4.45Å; M206-M208 PolarHBondContact O-N 2.9Å; M206-I211 HydrophobicContact CE-CD1 4.32Å; M206-L224 HydrophobicContact CE-CD1 3.84Å; M206-L224 HydrophobicContact CE-CD2 4.26Å; M206-L224 HydrophobicContact CG-CD1 4.08Å; M206-L224 HydrophobicContact SD-CD1 3.74Å; M206-L224 HydrophobicContact SD-CD2 3.84Å; M206-L224 HydrophobicContact SD-CG 4.47Å; M206-F229 HydrophobicContact CG-CE1 4.34Å; M206-L235 HydrophobicContact CG-CD1 4.36Å; M206-L238 HydrophobicContact CB-CD2 4.28Å; M206-L238 HydrophobicContact CG-CD2 4.21Å
207	P	89.6	Confident	89.4	Confident	47 Å²	47	47.9 Å²	47.9	31%	0.305	24%	0.242	S	C	.	.			trans	-79.4	85.1	178.8	30.4	-32.5	0	0	0	111.8	F179 M181 H209 H210 I211	F179-P207 HydrophobicContact CD1-CG 4.38Å; M181-P207 HydrophobicContact CG-CB 4.08Å; M181-P207 HydrophobicContact CG-CG 3.14Å; M181-P207 HydrophobicContact SD-CG 3.65Å; P207-H209 VanDerWaalsContact C-N 3.29Å; P207-H209 PolarHBondContact O-N 2.85Å; P207-H210 PolarHBondContact O-N 3.06Å; P207-I211 PolarHBondContact O-N 3.22Å
208	M	82.9	Confident	89	Confident	27 Å²	27	48.7 Å²	48.7	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-29.5	-173.3	-63.2	-60.7	-65	0	0	115	M206 H210 I211 L238 L293	M206-M208 HydrophobicContact CB-SD 4.45Å; M206-M208 PolarHBondContact O-N 2.9Å; M208-H210 VanDerWaalsContact C-N 3.29Å; M208-H210 PolarHBondContact O-N 3.34Å; M208-I211 VanDerWaalsContact O-CG2 3.31Å; M208-I211 WeakPolarHBondContact O-CG2 3.34Å; M208-L238 HydrophobicContact CE-CB 4.1Å; M208-L238 HydrophobicContact SD-CB 4.3Å; M208-L238 HydrophobicContact SD-CD2 4.16Å; M208-L293 HydrophobicContact CE-CD1 4.43Å
209	H	79.1	Confident	88.6	Confident	173 Å²	173	49 Å²	49	80%	0.801	25%	0.247	S	C	*	.	H	α-helix	trans	-69.3	-26.1	-178.2	-65.2	-66.3	0	0	0	113.9	P207	P207-H209 VanDerWaalsContact C-N 3.29Å; P207-H209 PolarHBondContact O-N 2.85Å
210	H	82.4	Confident	88.2	Confident	95 Å²	95	53.1 Å²	53.1	44%	0.44	26%	0.263	S	S	.	.	H	α-helix	trans	-103.3	-10.9	-177.3	-61.3	156.6	0	0	0	113.1	M181 P207 M208 N212 L213	M181-H210 HydrophobicContact CE-CB 3.66Å; M181-H210 WeakPolarHBondContact CE-O 3.14Å; P207-H210 PolarHBondContact O-N 3.06Å; M208-H210 VanDerWaalsContact C-N 3.29Å; M208-H210 PolarHBondContact O-N 3.34Å; H210-N212 PolarHBondContact O-N 3.05Å; H210-L213 WeakPolarHBondContact O-CB 3.19Å; H210-L213 PolarHBondContact O-N 3.12Å; H210-L213 VanDerWaalsContact O-N 3.1Å
211	I	84.3	Confident	87.9	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-66.1	-28.8	-177.4	-157.5	65.2	0	0	0	112	M181 M206 P207 M208 L213 V214 L219 L238 L293	M181-I211 HydrophobicContact SD-CD1 4.43Å; M206-I211 HydrophobicContact CE-CD1 4.32Å; P207-I211 PolarHBondContact O-N 3.22Å; M208-I211 VanDerWaalsContact O-CG2 3.31Å; M208-I211 WeakPolarHBondContact O-CG2 3.34Å; I211-L213 PolarHBondContact O-N 3.34Å; I211-V214 HydrophobicContact CD1-CG2 4.44Å; I211-V214 WeakPolarHBondContact O-CB 3.23Å; I211-V214 PolarHBondContact O-N 3.39Å; I211-V214 VanDerWaalsContact O-N 3.12Å; I211-L219 HydrophobicContact CD1-CD2 3.58Å; I211-L219 HydrophobicContact CG1-CD2 3.83Å; I211-L238 HydrophobicContact CG1-CD1 4.38Å; I211-L293 HydrophobicContact CG2-CD2 3.48Å; I211-L293 VanDerWaalsContact CG2-CD2 3.48Å
212	N	77.4	Confident	87.8	Confident	81 Å²	81	49.4 Å²	49.4	43%	0.433	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.6	174	-153.6	14.1	0	0	0	113.7	H210 V214 A292 L293 G294	H210-N212 PolarHBondContact O-N 3.05Å; N212-V214 PolarHBondContact O-N 3Å; N212-A292 WeakPolarHBondContact CB-O 3.22Å; N212-A292 PolarHBondContact ND2-O 3.42Å; N212-A292 PolarHBondContact OD1-O 2.98Å; N212-L293 VanDerWaalsContact OD1-C 3.31Å; N212-G294 PolarHBondContact OD1-N 3.27Å
213	L	85.1	Confident	87.8	Confident	113 Å²	113	43.7 Å²	43.7	59%	0.592	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.4	-177.9	-57.3	174.9	0	0	0	111.4	V185 H210 I211	V185-L213 HydrophobicContact CG1-CB 3.74Å; V185-L213 HydrophobicContact CG1-CD1 4.19Å; H210-L213 WeakPolarHBondContact O-CB 3.19Å; H210-L213 PolarHBondContact O-N 3.12Å; H210-L213 VanDerWaalsContact O-N 3.1Å; I211-L213 PolarHBondContact O-N 3.34Å
214	V	87.6	Confident	87.8	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.018	23%	0.228	C	C	.	.	S	Bend	trans	-92.9	120	-179.6	-172.6	0	0	0	0	108.6	M181 Y184 I211 N212 Q218 L219	M181-V214 HydrophobicContact CE-CG2 3.63Å; Y184-V214 HydrophobicContact CD1-CG1 3.68Å; Y184-V214 HydrophobicContact CE1-CG1 4.23Å; Y184-V214 HydrophobicContact CG-CG1 3.92Å; Y184-V214 HydrophobicContact CG-CG2 4.1Å; I211-V214 HydrophobicContact CD1-CG2 4.44Å; I211-V214 WeakPolarHBondContact O-CB 3.23Å; I211-V214 PolarHBondContact O-N 3.39Å; I211-V214 VanDerWaalsContact O-N 3.12Å; N212-V214 PolarHBondContact O-N 3Å; V214-Q218 HydrophobicContact CG1-CB 3.92Å; V214-L219 HydrophobicContact CB-CD2 3.75Å; V214-L219 HydrophobicContact CB-CG 4.08Å; V214-L219 HydrophobicContact CG1-CD2 3.74Å; V214-L219 HydrophobicContact CG1-CG 3.93Å; V214-L219 WeakPolarHBondContact O-CD1 3.23Å
215	P	86.1	Confident	87.8	Confident	62 Å²	62	41.3 Å²	41.3	40%	0.403	21%	0.212	S	C	.	.			trans	-58.4	143.1	176.4	-23.3	32.6	0	0	0	112.5	K217 Q218 L219	P215-K217 PolarHBondContact O-N 2.85Å; P215-K217 VanDerWaalsContact O-N 3.15Å; P215-Q218 WeakPolarHBondContact O-CA 3.36Å; P215-Q218 WeakPolarHBondContact O-CB 3.39Å; P215-Q218 PolarHBondContact O-N 3.31Å; P215-L219 PolarHBondContact O-N 3.3Å
216	G	82.3	Confident	87.9	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-54.4	-33.1	177.6	0	0	0	0	0	113.6	Q218 L219 R220 D310	G216-Q218 PolarHBondContact O-N 3.17Å; G216-L219 PolarHBondContact O-N 3.48Å; G216-R220 PolarHBondContact O-N 2.92Å; G216-R220 VanDerWaalsContact O-N 3.12Å; G216-D310 WeakPolarHBondContact CA-OD1 3.45Å; G216-D310 WeakPolarHBondContact CA-OD2 3.5Å; G216-D310 PolarHBondContact N-OD1 3.33Å; G216-D310 PolarHBondContact N-OD2 2.96Å
217	K	83.8	Confident	88.1	Confident	52 Å²	52	39 Å²	39	23%	0.226	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-36.2	171.1	177	175	164.1	-172.4	0	112.6	M194 P215 R220 G314 N315	M194-K217 HydrophobicContact CE-CD 4.19Å; M194-K217 HydrophobicContact CE-CG 3.46Å; M194-K217 VanDerWaalsContact CE-CG 3.46Å; M194-K217 WeakPolarHBondContact CE-O 3.49Å; M194-K217 HydrophobicContact SD-CD 4.06Å; M194-K217 WeakPolarHBondContact SD-CE 3.37Å; M194-K217 HydrophobicContact SD-CG 3.66Å; P215-K217 PolarHBondContact O-N 2.85Å; P215-K217 VanDerWaalsContact O-N 3.15Å; K217-R220 WeakPolarHBondContact O-CD 3.3Å; K217-R220 WeakPolarHBondContact O-CG 3.33Å; K217-R220 PolarHBondContact O-NE 2.92Å; K217-G314 WeakPolarHBondContact CD-O 3.4Å; K217-N315 WeakPolarHBondContact CE-OD1 3.43Å; K217-N315 PolarHBondContact NZ-OD1 3Å
218	Q	90.4	Very high	88.3	Confident	17 Å²	17	37.7 Å²	37.7	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-86.9	-39.3	176	-61	-170.2	-61.2	0	0	111.7	Y184 L190 P191 L193 V214 P215 G216 R220 G221	Y184-Q218 HydrophobicContact CD1-CB 4.17Å; Y184-Q218 HydrophobicContact CE1-CB 3.86Å; Y184-Q218 HydrophobicContact CE1-CG 4.49Å; L190-Q218 PolarHBondContact O-NE2 2.78Å; P191-Q218 PolarHBondContact O-NE2 2.86Å; L193-Q218 WeakPolarHBondContact O-CG 3.45Å; L193-Q218 PolarHBondContact O-NE2 2.87Å; V214-Q218 HydrophobicContact CG1-CB 3.92Å; P215-Q218 WeakPolarHBondContact O-CA 3.36Å; P215-Q218 WeakPolarHBondContact O-CB 3.39Å; P215-Q218 PolarHBondContact O-N 3.31Å; G216-Q218 PolarHBondContact O-N 3.17Å; Q218-R220 VanDerWaalsContact C-N 3.26Å; Q218-R220 PolarHBondContact O-N 3.1Å; Q218-G221 PolarHBondContact O-N 2.96Å; Q218-G221 VanDerWaalsContact O-N 3.08Å
219	L	89.4	Confident	88.9	Confident	7 Å²	7	36.4 Å²	36.4	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-55.8	-38.9	179.2	-71.1	176.4	0	0	0	112.9	I211 V214 P215 G216 G221 I222 W242 F247	I211-L219 HydrophobicContact CD1-CD2 3.58Å; I211-L219 HydrophobicContact CG1-CD2 3.83Å; V214-L219 HydrophobicContact CB-CD2 3.75Å; V214-L219 HydrophobicContact CB-CG 4.08Å; V214-L219 HydrophobicContact CG1-CD2 3.74Å; V214-L219 HydrophobicContact CG1-CG 3.93Å; V214-L219 WeakPolarHBondContact O-CD1 3.23Å; P215-L219 PolarHBondContact O-N 3.3Å; G216-L219 PolarHBondContact O-N 3.48Å; L219-G221 PolarHBondContact O-N 2.92Å; L219-I222 HydrophobicContact CD2-CD1 3.86Å; L219-I222 PolarHBondContact O-N 2.75Å; L219-W242 HydrophobicContact CD2-CZ2 4.3Å; L219-F247 HydrophobicContact CB-CE2 3.94Å; L219-F247 HydrophobicContact CB-CZ 4.48Å
220	R	88.2	Confident	89.4	Confident	86 Å²	86	30.3 Å²	30.3	33%	0.325	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23	179.7	81	-169.6	-174.7	157.6	8.5	114	G216 K217 Q218 F247 K312	G216-R220 PolarHBondContact O-N 2.92Å; G216-R220 VanDerWaalsContact O-N 3.12Å; K217-R220 WeakPolarHBondContact O-CD 3.3Å; K217-R220 WeakPolarHBondContact O-CG 3.33Å; K217-R220 PolarHBondContact O-NE 2.92Å; Q218-R220 VanDerWaalsContact C-N 3.26Å; Q218-R220 PolarHBondContact O-N 3.1Å; R220-F247 HydrophobicContact CB-CD1 3.79Å; R220-F247 HydrophobicContact CB-CD2 4.34Å; R220-F247 HydrophobicContact CB-CE1 3.91Å; R220-F247 HydrophobicContact CB-CE2 4.45Å; R220-F247 HydrophobicContact CB-CG 4.02Å; R220-F247 HydrophobicContact CB-CZ 4.25Å; R220-K312 HydrophobicContact CB-CB 4.34Å; R220-K312 VanDerWaalsContact CD-O 3.32Å; R220-K312 WeakPolarHBondContact CD-O 3.45Å; R220-K312 VanDerWaalsContact CZ-O 3.28Å; R220-K312 PolarHBondContact NE-O 3.21Å; R220-K312 PolarHBondContact NH1-O 3.38Å
221	G	91.1	Very high	89.7	Confident	5 Å²	5	26.8 Å²	26.8	5%	0.052	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	12.1	-175.1	0	0	0	0	0	114.4	M194 F195 L196 Q218 L219 Y223	M194-G221 WeakPolarHBondContact O-CA 3.14Å; F195-G221 WeakPolarHBondContact CA-O 3.37Å; L196-G221 PolarHBondContact N-O 3.38Å; Q218-G221 PolarHBondContact O-N 2.96Å; Q218-G221 VanDerWaalsContact O-N 3.08Å; L219-G221 PolarHBondContact O-N 2.92Å; G221-Y223 WeakPolarHBondContact O-CD2 3.26Å
222	I	95.4	Very high	89.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115	178.2	-56.9	174.7	0	0	0	109.3	F179 Y184 L196 L219 L224 W242 S249	F179-I222 HydrophobicContact CE2-CG2 3.6Å; F179-I222 HydrophobicContact CZ-CD1 4.06Å; F179-I222 HydrophobicContact CZ-CG2 3.84Å; Y184-I222 HydrophobicContact CE2-CD1 4.07Å; Y184-I222 HydrophobicContact CE2-CG1 4.46Å; Y184-I222 WeakPolarHBondContact OH-CG1 3.18Å; L196-I222 WeakPolarHBondContact O-CA 3.34Å; L219-I222 HydrophobicContact CD2-CD1 3.86Å; L219-I222 PolarHBondContact O-N 2.75Å; I222-L224 HydrophobicContact CG2-CD1 4.45Å; I222-L224 HydrophobicContact CG2-CD2 3.85Å; I222-L224 HydrophobicContact CG2-CG 3.92Å; I222-W242 HydrophobicContact CB-CH2 3.8Å; I222-W242 HydrophobicContact CB-CZ3 4.33Å; I222-W242 HydrophobicContact CG2-CH2 3.95Å; I222-W242 WeakPolarHBondContact O-CZ3 3.48Å; I222-S249 WeakPolarHBondContact O-CB 3.32Å; I222-S249 PolarHBondContact O-OG 3.29Å
223	Y	96.7	Very high	90.4	Very high	13 Å²	13	26.9 Å²	26.9	5%	0.051	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.3	177.4	-64.2	-101	0	0	0	110.2	F195 L196 V198 S199 G221 S249 F253 P516	F195-Y223 HydrophobicContact CD2-CD2 4.32Å; F195-Y223 AromaticContact CD2-CE2 3.59Å; F195-Y223 HydrophobicContact CD2-CE2 3.59Å; F195-Y223 HydrophobicContact CE1-CD2 4.43Å; F195-Y223 AromaticContact CE2-CD2 3.83Å; F195-Y223 HydrophobicContact CE2-CD2 3.83Å; F195-Y223 AromaticContact CE2-CE2 3.14Å; F195-Y223 HydrophobicContact CE2-CE2 3.14Å; F195-Y223 AromaticContact CE2-CZ 3.7Å; F195-Y223 HydrophobicContact CG-CE2 4.44Å; F195-Y223 AromaticContact CZ-CD2 3.88Å; F195-Y223 HydrophobicContact CZ-CD2 3.88Å; F195-Y223 AromaticContact CZ-CE2 3.66Å; F195-Y223 HydrophobicContact CZ-CE2 3.66Å; L196-Y223 PolarHBondContact O-N 3.01Å; V198-Y223 CarbonylContact C-O 3.1Å; V198-Y223 VanDerWaalsContact CG2-O 3.27Å; V198-Y223 WeakPolarHBondContact CG2-O 3.33Å; V198-Y223 PolarHBondContact N-O 2.99Å; S199-Y223 PolarHBondContact N-O 2.8Å; G221-Y223 WeakPolarHBondContact O-CD2 3.26Å; Y223-S249 VanDerWaalsContact CE1-CA 3.48Å; Y223-F253 AromaticContact CD1-CD2 3.9Å; Y223-F253 HydrophobicContact CD1-CD2 3.9Å; Y223-F253 AromaticContact CD1-CE2 3.8Å; Y223-F253 HydrophobicContact CD1-CE2 3.8Å; Y223-F253 HydrophobicContact CE1-CD2 4.02Å; Y223-F253 AromaticContact CE1-CE2 3.66Å; Y223-F253 HydrophobicContact CE1-CE2 3.66Å; Y223-P516 HydrophobicContact CD1-CB 4.24Å; Y223-P516 HydrophobicContact CD1-CG 3.67Å; Y223-P516 HydrophobicContact CE1-CG 3.77Å; Y223-P516 HydrophobicContact CG-CB 4.42Å; Y223-P516 HydrophobicContact CG-CG 4.33Å
224	L	95.6	Very high	90.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.			trans	-123.1	-9.7	-169.6	-69.1	-179	0	0	0	113.7	F179 V198 M206 I222 N227 F229 W242 Y257	F179-L224 HydrophobicContact CD2-CD2 3.84Å; F179-L224 HydrophobicContact CE2-CD2 3.83Å; V198-L224 HydrophobicContact CG2-CD2 3.55Å; M206-L224 HydrophobicContact CE-CD1 3.84Å; M206-L224 HydrophobicContact CE-CD2 4.26Å; M206-L224 HydrophobicContact CG-CD1 4.08Å; M206-L224 HydrophobicContact SD-CD1 3.74Å; M206-L224 HydrophobicContact SD-CD2 3.84Å; M206-L224 HydrophobicContact SD-CG 4.47Å; I222-L224 HydrophobicContact CG2-CD1 4.45Å; I222-L224 HydrophobicContact CG2-CD2 3.85Å; I222-L224 HydrophobicContact CG2-CG 3.92Å; L224-N227 WeakPolarHBondContact O-CB 3.29Å; L224-N227 PolarHBondContact O-ND2 3.44Å; L224-F229 HydrophobicContact CB-CE2 4.3Å; L224-F229 HydrophobicContact CB-CZ 3.95Å; L224-F229 WeakPolarHBondContact O-CE2 3.12Å; L224-W242 HydrophobicContact CD1-CH2 3.64Å; L224-W242 HydrophobicContact CD1-CZ3 3.7Å; L224-W242 HydrophobicContact CG-CH2 4.3Å; L224-W242 HydrophobicContact CG-CZ3 4.18Å; L224-Y257 HydrophobicContact CB-CE1 3.86Å
225	H	94.4	Very high	90.5	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.009	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	157.6	-173.5	69.8	106.4	0	0	0	113.4	S199 Y200 N227 F253 D256 Y257	S199-H225 CarbonylContact C-O 3.57Å; S199-H225 WeakPolarHBondContact CA-O 3.38Å; S199-H225 VanDerWaalsContact CB-NE2 3.31Å; S199-H225 WeakPolarHBondContact CB-NE2 3.38Å; S199-H225 VanDerWaalsContact CB-O 3.25Å; S199-H225 WeakPolarHBondContact CB-O 3.47Å; Y200-H225 AromaticContact CE2-CE1 3.53Å; Y200-H225 AromaticContact CE2-ND1 3.83Å; Y200-H225 PolarHBondContact N-O 2.92Å; H225-N227 PolarHBondContact O-N 3.48Å; H225-F253 HydrophobicContact CB-CB 3.88Å; H225-F253 HydrophobicContact CB-CG 4.48Å; H225-F253 AromaticContact CD2-CD1 3.96Å; H225-F253 AromaticContact CD2-CG 3.66Å; H225-F253 AromaticContact CE1-CD1 3.32Å; H225-F253 WeakPolarHBondContact CE1-CD1 3.38Å; H225-F253 AromaticContact CE1-CE1 3.64Å; H225-F253 AromaticContact CE1-CG 3.85Å; H225-F253 AromaticContact CG-CD1 3.94Å; H225-F253 AromaticContact CG-CG 3.8Å; H225-F253 AromaticContact ND1-CD1 3.53Å; H225-F253 AromaticContact ND1-CG 3.89Å; H225-F253 AromaticContact NE2-CD1 3.61Å; H225-F253 AromaticContact NE2-CE1 3.84Å; H225-F253 AromaticContact NE2-CG 3.74Å; H225-D256 HydrophobicContact CB-CB 3.64Å; H225-D256 IonicContact CE1-OD2 3.19Å; H225-D256 IonicContact ND1-OD2 3.56Å; H225-D256 PolarHBondContact ND1-OD2 3.12Å; H225-Y257 HydrophobicContact CB-CD2 4.25Å; H225-Y257 HydrophobicContact CB-CE1 4.42Å; H225-Y257 HydrophobicContact CB-CE2 3.92Å
226	G	93.5	Very high	90.6	Very high	28 Å²	28	22.5 Å²	22.5	29%	0.289	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	11.3	-178	0	0	0	0	0	115.3	D256	G226-D256 PolarHBondContact N-O 2.87Å
227	N	95.8	Very high	90.9	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	12%	0.123	C	C	.	.			trans	-92.2	151	172.8	-83.5	-81.5	0	0	0	112.3	V198 N201 R202 I203 L224 H225 F229	V198-N227 PolarHBondContact O-ND2 3.13Å; N201-N227 VanDerWaalsContact CA-OD1 3.24Å; N201-N227 WeakPolarHBondContact CA-OD1 3.47Å; N201-N227 WeakPolarHBondContact CB-OD1 3.15Å; N201-N227 PolarHBondContact N-OD1 3.39Å; N201-N227 PolarHBondContact O-OD1 3.13Å; R202-N227 PolarHBondContact N-OD1 2.74Å; I203-N227 HydrophobicContact CB-CB 4.41Å; I203-N227 WeakPolarHBondContact CB-OD1 3.28Å; I203-N227 PolarHBondContact N-OD1 3.46Å; L224-N227 WeakPolarHBondContact O-CB 3.29Å; L224-N227 PolarHBondContact O-ND2 3.44Å; H225-N227 PolarHBondContact O-N 3.48Å; N227-F229 HydrophobicContact CB-CD2 4.08Å; N227-F229 HydrophobicContact CB-CE1 4.1Å; N227-F229 HydrophobicContact CB-CE2 3.57Å; N227-F229 HydrophobicContact CB-CZ 3.56Å; N227-F229 PolarHBondContact O-N 3.03Å
228	P	93.8	Very high	91.2	Very high	20 Å²	20	20 Å²	20	13%	0.13	11%	0.113	C	C	.	.			trans	-82.1	60.5	-177.4	36.3	-39.4	0	0	0	113	N201	N201-P228 VanDerWaalsContact O-CD 3.28Å; N201-P228 WeakPolarHBondContact O-CD 3.29Å
229	F	93.7	Very high	91.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	144	-176.2	-67.1	-62.2	0	0	0	113.1	I203 P204 M206 L224 N227 L235 C259 R260	I203-F229 HydrophobicContact CB-CE1 4.5Å; I203-F229 HydrophobicContact CG2-CE1 4.17Å; P204-F229 CarbonylContact O-C 3.39Å; P204-F229 WeakPolarHBondContact O-CA 3.18Å; M206-F229 HydrophobicContact CG-CE1 4.34Å; L224-F229 HydrophobicContact CB-CE2 4.3Å; L224-F229 HydrophobicContact CB-CZ 3.95Å; L224-F229 WeakPolarHBondContact O-CE2 3.12Å; N227-F229 HydrophobicContact CB-CD2 4.08Å; N227-F229 HydrophobicContact CB-CE1 4.1Å; N227-F229 HydrophobicContact CB-CE2 3.57Å; N227-F229 HydrophobicContact CB-CZ 3.56Å; N227-F229 PolarHBondContact O-N 3.03Å; F229-L235 HydrophobicContact CB-CD2 3.4Å; F229-L235 VanDerWaalsContact CB-CD2 3.4Å; F229-L235 HydrophobicContact CD1-CD1 4.41Å; F229-L235 HydrophobicContact CD1-CD2 4Å; F229-L235 HydrophobicContact CD2-CD2 4.17Å; F229-L235 HydrophobicContact CG-CD2 3.6Å; F229-C259 HydrophobicContact CB-CB 4.17Å; F229-C259 CarbonylContact O-C 3.57Å; F229-C259 VanDerWaalsContact O-CA 3.23Å; F229-C259 WeakPolarHBondContact O-CA 3.34Å; F229-C259 WeakPolarHBondContact O-CB 3.45Å; F229-R260 PolarHBondContact O-N 2.89Å
230	V	91.2	Very high	91.1	Very high	45 Å²	45	20.1 Å²	20.1	27%	0.273	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.6	164.9	-179.9	0	0	0	0	107.7	P204 D232 W262	P204-V230 HydrophobicContact CB-CG2 4.33Å; P204-V230 PolarHBondContact O-N 3.28Å; V230-D232 PolarHBondContact O-N 3.09Å; V230-W262 HydrophobicContact CG2-CH2 4.13Å; V230-W262 HydrophobicContact CG2-CZ2 4.36Å
231	C	88.4	Confident	91	Very high	21 Å²	21	16.6 Å²	16.6	14%	0.142	10%	0.102	C	C	.	.			trans	-69.8	114.2	178.2	-57.3	0	0	0	0	110	C259 R260 L261 M279	C231-C259 VanDerWaalsContact CA-SG 3.56Å; C231-C259 HydrophobicContact CB-CB 3.87Å; C231-C259 WeakPolarHBondContact CB-SG 3.33Å; C231-C259 WeakPolarHBondContact SG-CB 3.48Å; C231-C259 CovalentContact SG-SG 2.02Å; C231-C259 PolarHBondContact SG-SG 3.21Å; C231-R260 PolarHBondContact N-O 3.19Å; C231-R260 PolarHBondContact SG-O 2.8Å; C231-L261 HydrophobicContact CB-CD1 3.71Å; C231-M279 HydrophobicContact CB-CE 4.2Å; C231-M279 HydrophobicContact CB-SD 4.3Å
232	D	87.8	Confident	90.9	Very high	59 Å²	59	16.3 Å²	16.3	32%	0.316	10%	0.099	S	C	.	.			trans	-138.2	165.7	169.3	71	14.8	0	0	0	111	V230 S234 L235 Y236 M279	V230-D232 PolarHBondContact O-N 3.09Å; D232-S234 VanDerWaalsContact C-N 3.25Å; D232-S234 PolarHBondContact O-N 2.99Å; D232-S234 PolarHBondContact OD1-N 3.12Å; D232-L235 WeakPolarHBondContact OD1-CB 3.14Å; D232-L235 PolarHBondContact OD1-N 3.46Å; D232-Y236 PolarHBondContact O-N 2.88Å; D232-M279 WeakPolarHBondContact O-CE 3.26Å
233	C	87.6	Confident	90.6	Very high	26 Å²	26	20.6 Å²	20.6	18%	0.176	12%	0.116	C	C	.	.	H	α-helix	trans	-70.4	-23.7	-179.9	-73.7	0	0	0	0	113.1	S237 C281 I285	C233-S237 VanDerWaalsContact O-CB 3.31Å; C233-S237 WeakPolarHBondContact O-CB 3.29Å; C233-S237 PolarHBondContact O-N 2.98Å; C233-S237 PolarHBondContact O-OG 2.72Å; C233-C281 WeakPolarHBondContact CA-SG 3.45Å; C233-C281 HydrophobicContact CB-CB 3.84Å; C233-C281 WeakPolarHBondContact CB-SG 3.15Å; C233-C281 VanDerWaalsContact SG-CA 3.53Å; C233-C281 WeakPolarHBondContact SG-CB 3.39Å; C233-C281 CovalentContact SG-SG 2.04Å; C233-C281 PolarHBondContact SG-SG 2.84Å; C233-I285 HydrophobicContact CB-CB 4.5Å; C233-I285 HydrophobicContact CB-CG2 3.58Å
234	S	87.1	Confident	90	Very high	36 Å²	36	28 Å²	28	25%	0.252	14%	0.144	S	C	.	.	H	α-helix	trans	-71.8	-47.9	-178.5	-52.3	0	0	0	0	111.5	D232 S237 L238	D232-S234 VanDerWaalsContact C-N 3.25Å; D232-S234 PolarHBondContact O-N 2.99Å; D232-S234 PolarHBondContact OD1-N 3.12Å; S234-S237 PolarHBondContact O-N 2.84Å; S234-L238 PolarHBondContact O-N 3.25Å
235	L	88.7	Confident	89.5	Confident	5 Å²	5	29.2 Å²	29.2	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-63.1	-44	173.9	177.6	66.3	0	0	0	111	M206 F229 D232 S237 L238 L239 L273	M206-L235 HydrophobicContact CG-CD1 4.36Å; F229-L235 HydrophobicContact CB-CD2 3.4Å; F229-L235 VanDerWaalsContact CB-CD2 3.4Å; F229-L235 HydrophobicContact CD1-CD1 4.41Å; F229-L235 HydrophobicContact CD1-CD2 4Å; F229-L235 HydrophobicContact CD2-CD2 4.17Å; F229-L235 HydrophobicContact CG-CD2 3.6Å; D232-L235 WeakPolarHBondContact OD1-CB 3.14Å; D232-L235 PolarHBondContact OD1-N 3.46Å; L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 3.38Å; L235-L238 WeakPolarHBondContact O-CB 3.49Å; L235-L238 PolarHBondContact O-N 3.1Å; L235-L239 HydrophobicContact CD1-CD1 4.25Å; L235-L239 HydrophobicContact CD1-CG 4.27Å; L235-L239 HydrophobicContact CG-CD1 4.23Å; L235-L239 WeakPolarHBondContact O-CG 3.27Å; L235-L239 PolarHBondContact O-N 3.32Å; L235-L273 HydrophobicContact CD2-CD1 3.92Å; L235-L273 HydrophobicContact CG-CD1 4.45Å
236	Y	88.8	Confident	89.2	Confident	45 Å²	45	34.7 Å²	34.7	18%	0.176	17%	0.174	C	C	.	.	H	α-helix	trans	-56.5	-49.6	174.7	173.5	-103.3	0	0	0	111	D232 L238 L239 V240 M279	D232-Y236 PolarHBondContact O-N 2.88Å; Y236-L238 VanDerWaalsContact C-N 3.33Å; Y236-L238 PolarHBondContact O-N 2.97Å; Y236-L239 PolarHBondContact O-N 2.86Å; Y236-V240 HydrophobicContact CD1-CG2 4.35Å; Y236-V240 HydrophobicContact CD2-CG2 4.14Å; Y236-V240 HydrophobicContact CE1-CG2 3.96Å; Y236-V240 HydrophobicContact CE2-CG2 3.72Å; Y236-V240 HydrophobicContact CG-CG2 4.44Å; Y236-V240 WeakPolarHBondContact O-CB 3.47Å; Y236-V240 VanDerWaalsContact O-CG2 3.3Å; Y236-V240 WeakPolarHBondContact O-CG2 3.5Å; Y236-V240 PolarHBondContact O-N 3.06Å; Y236-M279 HydrophobicContact CG-CB 4.49Å
237	S	87.7	Confident	89.1	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-40.2	178.2	-58	0	0	0	0	112.3	C233 S234 L235 F241	C233-S237 VanDerWaalsContact O-CB 3.31Å; C233-S237 WeakPolarHBondContact O-CB 3.29Å; C233-S237 PolarHBondContact O-N 2.98Å; C233-S237 PolarHBondContact O-OG 2.72Å; S234-S237 PolarHBondContact O-N 2.84Å; L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 3.38Å; S237-F241 VanDerWaalsContact O-CB 3.26Å; S237-F241 WeakPolarHBondContact O-CB 3.43Å; S237-F241 PolarHBondContact O-N 2.85Å
238	L	89.3	Confident	88.8	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-48.2	175.4	-179.5	68.4	0	0	0	112	M206 M208 I211 S234 L235 Y236 F241 W242 L293	M206-L238 HydrophobicContact CB-CD2 4.28Å; M206-L238 HydrophobicContact CG-CD2 4.21Å; M208-L238 HydrophobicContact CE-CB 4.1Å; M208-L238 HydrophobicContact SD-CB 4.3Å; M208-L238 HydrophobicContact SD-CD2 4.16Å; I211-L238 HydrophobicContact CG1-CD1 4.38Å; S234-L238 PolarHBondContact O-N 3.25Å; L235-L238 WeakPolarHBondContact O-CB 3.49Å; L235-L238 PolarHBondContact O-N 3.1Å; Y236-L238 VanDerWaalsContact C-N 3.33Å; Y236-L238 PolarHBondContact O-N 2.97Å; L238-F241 WeakPolarHBondContact O-CB 3.38Å; L238-F241 PolarHBondContact O-N 3.42Å; L238-W242 HydrophobicContact CD1-CZ2 4.19Å; L238-W242 HydrophobicContact CD2-CZ2 4.38Å; L238-W242 HydrophobicContact CG-CZ2 4.39Å; L238-W242 PolarHBondContact O-N 3.4Å; L238-L293 HydrophobicContact CD1-CD1 4.35Å; L238-L293 HydrophobicContact CD1-CD2 3.68Å
239	L	90.4	Very high	88.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71.4	-37.1	-178	-66.2	177.5	0	0	0	112.2	L235 Y236 F241 W242 Y243 V250 Y257 L273 L274	L235-L239 HydrophobicContact CD1-CD1 4.25Å; L235-L239 HydrophobicContact CD1-CG 4.27Å; L235-L239 HydrophobicContact CG-CD1 4.23Å; L235-L239 WeakPolarHBondContact O-CG 3.27Å; L235-L239 PolarHBondContact O-N 3.32Å; Y236-L239 PolarHBondContact O-N 2.86Å; L239-F241 VanDerWaalsContact C-N 3.29Å; L239-F241 PolarHBondContact O-N 3.19Å; L239-W242 HydrophobicContact CD2-CE3 4.42Å; L239-W242 PolarHBondContact O-N 2.86Å; L239-Y243 VanDerWaalsContact O-CB 3.29Å; L239-Y243 WeakPolarHBondContact O-CB 3.37Å; L239-Y243 PolarHBondContact O-N 3.25Å; L239-V250 HydrophobicContact CD2-CG2 4.13Å; L239-Y257 HydrophobicContact CD1-CD1 3.63Å; L239-Y257 HydrophobicContact CD1-CE1 4.25Å; L239-Y257 HydrophobicContact CD1-CG 4.12Å; L239-Y257 HydrophobicContact CD2-CD1 3.77Å; L239-Y257 HydrophobicContact CD2-CE1 3.5Å; L239-Y257 VanDerWaalsContact CD2-CE1 3.5Å; L239-Y257 HydrophobicContact CD2-CG 4.47Å; L239-Y257 HydrophobicContact CG-CD1 4.38Å; L239-L273 HydrophobicContact CD1-CB 4.18Å; L239-L273 HydrophobicContact CD1-CD1 3.72Å; L239-L273 HydrophobicContact CD1-CG 4.45Å; L239-L274 HydrophobicContact CB-CD1 4.36Å; L239-L274 HydrophobicContact CB-CD2 4.01Å; L239-L274 HydrophobicContact CB-CG 4.37Å
240	V	87.3	Confident	88.6	Confident	26 Å²	26	35.1 Å²	35.1	16%	0.158	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-41.2	171.2	170.6	0	0	0	0	110.4	Y236 Y243 R244 L274	Y236-V240 HydrophobicContact CD1-CG2 4.35Å; Y236-V240 HydrophobicContact CD2-CG2 4.14Å; Y236-V240 HydrophobicContact CE1-CG2 3.96Å; Y236-V240 HydrophobicContact CE2-CG2 3.72Å; Y236-V240 HydrophobicContact CG-CG2 4.44Å; Y236-V240 WeakPolarHBondContact O-CB 3.47Å; Y236-V240 VanDerWaalsContact O-CG2 3.3Å; Y236-V240 WeakPolarHBondContact O-CG2 3.5Å; Y236-V240 PolarHBondContact O-N 3.06Å; V240-Y243 PolarHBondContact O-N 3.26Å; V240-R244 WeakPolarHBondContact O-CG 3.3Å; V240-R244 PolarHBondContact O-N 2.9Å; V240-L274 HydrophobicContact CG2-CD2 4.37Å
241	F	86.1	Confident	88.6	Confident	11 Å²	11	36.6 Å²	36.6	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-49.7	174.4	168.8	-107.5	0	0	0	111.7	S237 L238 L239 Y243 R244 R245 F290 L293 F295	S237-F241 VanDerWaalsContact O-CB 3.26Å; S237-F241 WeakPolarHBondContact O-CB 3.43Å; S237-F241 PolarHBondContact O-N 2.85Å; L238-F241 WeakPolarHBondContact O-CB 3.38Å; L238-F241 PolarHBondContact O-N 3.42Å; L239-F241 VanDerWaalsContact C-N 3.29Å; L239-F241 PolarHBondContact O-N 3.19Å; F241-Y243 VanDerWaalsContact C-N 3.3Å; F241-Y243 PolarHBondContact O-N 2.98Å; F241-R244 PolarHBondContact O-N 2.8Å; F241-R245 HydrophobicContact CD2-CG 4.24Å; F241-R245 HydrophobicContact CE1-CG 4.47Å; F241-R245 HydrophobicContact CE2-CG 3.82Å; F241-R245 HydrophobicContact CZ-CG 3.94Å; F241-R245 WeakPolarHBondContact O-CG 3.32Å; F241-R245 PolarHBondContact O-N 3.11Å; F241-F290 HydrophobicContact CB-CE1 4.35Å; F241-L293 HydrophobicContact CB-CD1 4.25Å; F241-L293 HydrophobicContact CD1-CD1 4.22Å; F241-L293 HydrophobicContact CD1-CD2 4.45Å; F241-L293 HydrophobicContact CG-CD1 4.25Å; F241-F295 HydrophobicContact CD2-CD2 4.46Å; F241-F295 HydrophobicContact CE2-CD2 4.08Å
242	W	90.1	Very high	88.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-35.9	177.2	-71.9	6.4	0	0	0	112.9	L219 I222 L224 L238 L239 R245 H246 F247 V250	L219-W242 HydrophobicContact CD2-CZ2 4.3Å; I222-W242 HydrophobicContact CB-CH2 3.8Å; I222-W242 HydrophobicContact CB-CZ3 4.33Å; I222-W242 HydrophobicContact CG2-CH2 3.95Å; I222-W242 WeakPolarHBondContact O-CZ3 3.48Å; L224-W242 HydrophobicContact CD1-CH2 3.64Å; L224-W242 HydrophobicContact CD1-CZ3 3.7Å; L224-W242 HydrophobicContact CG-CH2 4.3Å; L224-W242 HydrophobicContact CG-CZ3 4.18Å; L238-W242 HydrophobicContact CD1-CZ2 4.19Å; L238-W242 HydrophobicContact CD2-CZ2 4.38Å; L238-W242 HydrophobicContact CG-CZ2 4.39Å; L238-W242 PolarHBondContact O-N 3.4Å; L239-W242 HydrophobicContact CD2-CE3 4.42Å; L239-W242 PolarHBondContact O-N 2.86Å; W242-R245 PolarHBondContact O-N 3.49Å; W242-H246 PolarHBondContact O-N 3.3Å; W242-F247 HydrophobicContact CB-CB 4.33Å; W242-F247 HydrophobicContact CB-CD2 3.83Å; W242-F247 HydrophobicContact CB-CG 4.4Å; W242-F247 AromaticContact CD1-CD2 3.65Å; W242-F247 AromaticContact CD1-CE2 3.68Å; W242-F247 HydrophobicContact CD2-CD2 4.06Å; W242-F247 AromaticContact CG-CD2 3.59Å; W242-F247 HydrophobicContact CG-CD2 3.59Å; W242-F247 HydrophobicContact CG-CE2 4.11Å; W242-F247 PolarHBondContact O-N 2.95Å; W242-V250 HydrophobicContact CB-CB 4.36Å; W242-V250 HydrophobicContact CB-CG2 3.56Å; W242-V250 HydrophobicContact CD2-CG2 4.36Å; W242-V250 HydrophobicContact CE3-CG2 3.72Å; W242-V250 HydrophobicContact CG-CG2 4.37Å
243	Y	89.3	Confident	88.9	Confident	90 Å²	90	39 Å²	39	35%	0.353	19%	0.187	S	C	.	.	H	α-helix	trans	-64.1	-47.5	174.1	-177.2	-99.2	0	0	0	111.7	L239 V240 F241 R245 H246 V250 M251 K254	L239-Y243 VanDerWaalsContact O-CB 3.29Å; L239-Y243 WeakPolarHBondContact O-CB 3.37Å; L239-Y243 PolarHBondContact O-N 3.25Å; V240-Y243 PolarHBondContact O-N 3.26Å; F241-Y243 VanDerWaalsContact C-N 3.3Å; F241-Y243 PolarHBondContact O-N 2.98Å; Y243-R245 VanDerWaalsContact C-N 3.28Å; Y243-R245 PolarHBondContact O-N 3.21Å; Y243-H246 PolarHBondContact O-N 3.31Å; Y243-V250 HydrophobicContact CD2-CG1 4.21Å; Y243-M251 HydrophobicContact CD2-SD 3.63Å; Y243-M251 HydrophobicContact CE2-CE 4.34Å; Y243-M251 HydrophobicContact CE2-SD 3.62Å; Y243-M251 HydrophobicContact CG-SD 4.49Å; Y243-K254 HydrophobicContact CE2-CD 4.21Å
244	R	84.8	Confident	89	Confident	169 Å²	169	40.9 Å²	40.9	64%	0.638	19%	0.193	S	C	*	.	H	α-helix	trans	-62.9	-32.5	176.2	-73.8	-176.5	179.3	-162.5	0.4	112.8	V240 F241 H246	V240-R244 WeakPolarHBondContact O-CG 3.3Å; V240-R244 PolarHBondContact O-N 2.9Å; F241-R244 PolarHBondContact O-N 2.8Å; R244-H246 PolarHBondContact O-N 3.08Å
245	R	84.8	Confident	89	Confident	24 Å²	24	44.3 Å²	44.3	9%	0.091	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.1	174.7	-68.3	-64.7	-57.9	-110.4	-4.8	113.8	F241 W242 Y243 F247 D310 K312 E373 V375	F241-R245 HydrophobicContact CD2-CG 4.24Å; F241-R245 HydrophobicContact CE1-CG 4.47Å; F241-R245 HydrophobicContact CE2-CG 3.82Å; F241-R245 HydrophobicContact CZ-CG 3.94Å; F241-R245 WeakPolarHBondContact O-CG 3.32Å; F241-R245 PolarHBondContact O-N 3.11Å; W242-R245 PolarHBondContact O-N 3.49Å; Y243-R245 VanDerWaalsContact C-N 3.28Å; Y243-R245 PolarHBondContact O-N 3.21Å; R245-F247 VanDerWaalsContact C-N 3.34Å; R245-F247 HydrophobicContact CB-CD1 3.72Å; R245-F247 HydrophobicContact CB-CE1 3.5Å; R245-F247 VanDerWaalsContact CB-CE1 3.5Å; R245-F247 HydrophobicContact CB-CE2 4.41Å; R245-F247 HydrophobicContact CB-CG 4.29Å; R245-F247 HydrophobicContact CB-CZ 3.87Å; R245-F247 HydrophobicContact CG-CE1 4.34Å; R245-F247 HydrophobicContact CG-CZ 4.33Å; R245-F247 PolarHBondContact O-N 3.44Å; R245-D310 PolarHBondContact NH1-O 3.09Å; R245-D310 PolarHBondContact NH2-O 3.04Å; R245-K312 PolarHBondContact O-NZ 2.84Å; R245-E373 IonicContact CZ-OE1 3.85Å; R245-E373 IonicContact NE-OE1 3.57Å; R245-E373 IonicContact NH2-OE1 2.86Å; R245-E373 PolarHBondContact NH2-OE1 3.16Å; R245-V375 VanDerWaalsContact NH2-CG2 3.31Å
246	H	87.8	Confident	89.1	Confident	118 Å²	118	46.8 Å²	46.8	55%	0.546	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	50.6	-175.7	-59.5	-70.3	0	0	0	112	W242 Y243 R244 K312	W242-H246 PolarHBondContact O-N 3.3Å; Y243-H246 PolarHBondContact O-N 3.31Å; R244-H246 PolarHBondContact O-N 3.08Å; H246-K312 PolarHBondContact O-NZ 2.72Å
247	F	90.1	Very high	89.2	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.009	21%	0.213	C	C	.	.			trans	-78.3	127.6	172.1	-69.2	-5.6	0	0	0	109.9	L219 R220 W242 R245 S249 V250 M251 K312	L219-F247 HydrophobicContact CB-CE2 3.94Å; L219-F247 HydrophobicContact CB-CZ 4.48Å; R220-F247 HydrophobicContact CB-CD1 3.79Å; R220-F247 HydrophobicContact CB-CD2 4.34Å; R220-F247 HydrophobicContact CB-CE1 3.91Å; R220-F247 HydrophobicContact CB-CE2 4.45Å; R220-F247 HydrophobicContact CB-CG 4.02Å; R220-F247 HydrophobicContact CB-CZ 4.25Å; W242-F247 HydrophobicContact CB-CB 4.33Å; W242-F247 HydrophobicContact CB-CD2 3.83Å; W242-F247 HydrophobicContact CB-CG 4.4Å; W242-F247 AromaticContact CD1-CD2 3.65Å; W242-F247 AromaticContact CD1-CE2 3.68Å; W242-F247 HydrophobicContact CD2-CD2 4.06Å; W242-F247 AromaticContact CG-CD2 3.59Å; W242-F247 HydrophobicContact CG-CD2 3.59Å; W242-F247 HydrophobicContact CG-CE2 4.11Å; W242-F247 PolarHBondContact O-N 2.95Å; R245-F247 VanDerWaalsContact C-N 3.34Å; R245-F247 HydrophobicContact CB-CD1 3.72Å; R245-F247 HydrophobicContact CB-CE1 3.5Å; R245-F247 VanDerWaalsContact CB-CE1 3.5Å; R245-F247 HydrophobicContact CB-CE2 4.41Å; R245-F247 HydrophobicContact CB-CG 4.29Å; R245-F247 HydrophobicContact CB-CZ 3.87Å; R245-F247 HydrophobicContact CG-CE1 4.34Å; R245-F247 HydrophobicContact CG-CZ 4.33Å; R245-F247 PolarHBondContact O-N 3.44Å; F247-S249 PolarHBondContact O-N 3.26Å; F247-S249 VanDerWaalsContact O-N 3.17Å; F247-V250 PolarHBondContact O-N 2.93Å; F247-M251 WeakPolarHBondContact O-CG 3.34Å; F247-M251 PolarHBondContact O-N 3.38Å; F247-K312 HydrophobicContact CD1-CD 4.15Å; F247-K312 HydrophobicContact CE1-CB 3.96Å; F247-K312 HydrophobicContact CE1-CD 3.98Å
248	S	89.8	Confident	89.4	Confident	59 Å²	59	45.6 Å²	45.6	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-54	-35.9	-179.6	-58.9	0	0	0	0	112.4	V250 M251 D252	S248-V250 PolarHBondContact O-N 3.47Å; S248-V250 VanDerWaalsContact O-N 3.1Å; S248-M251 PolarHBondContact O-N 3.39Å; S248-D252 VanDerWaalsContact O-CB 3.3Å; S248-D252 WeakPolarHBondContact O-CB 3.2Å; S248-D252 VanDerWaalsContact O-CG 3.29Å; S248-D252 PolarHBondContact O-N 3.42Å
249	S	91.9	Very high	89.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55	-31	177.5	59.1	0	0	0	0	114.3	I222 Y223 F247 Y257	I222-S249 WeakPolarHBondContact O-CB 3.32Å; I222-S249 PolarHBondContact O-OG 3.29Å; Y223-S249 VanDerWaalsContact CE1-CA 3.48Å; F247-S249 PolarHBondContact O-N 3.26Å; F247-S249 VanDerWaalsContact O-N 3.17Å; S249-Y257 WeakPolarHBondContact O-CE2 3.14Å; S249-Y257 PolarHBondContact O-OH 3.14Å
250	V	92.8	Very high	89.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-100.8	-38.1	177.9	-179.7	0	0	0	0	112.2	L239 W242 Y243 F247 S248 K254 Y257 L274	L239-V250 HydrophobicContact CD2-CG2 4.13Å; W242-V250 HydrophobicContact CB-CB 4.36Å; W242-V250 HydrophobicContact CB-CG2 3.56Å; W242-V250 HydrophobicContact CD2-CG2 4.36Å; W242-V250 HydrophobicContact CE3-CG2 3.72Å; W242-V250 HydrophobicContact CG-CG2 4.37Å; Y243-V250 HydrophobicContact CD2-CG1 4.21Å; F247-V250 PolarHBondContact O-N 2.93Å; S248-V250 PolarHBondContact O-N 3.47Å; S248-V250 VanDerWaalsContact O-N 3.1Å; V250-K254 VanDerWaalsContact O-CA 3.31Å; V250-K254 WeakPolarHBondContact O-CA 3.2Å; V250-K254 PolarHBondContact O-N 3.02Å; V250-Y257 HydrophobicContact CB-CE2 4.49Å; V250-Y257 HydrophobicContact CG2-CE2 4.18Å; V250-L274 HydrophobicContact CG1-CD1 3.33Å
251	M	90.4	Very high	89.2	Confident	76 Å²	76	53.1 Å²	53.1	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-44.1	-179.1	-67.2	-60.8	-63.5	0	0	111.8	Y243 F247 S248	Y243-M251 HydrophobicContact CD2-SD 3.63Å; Y243-M251 HydrophobicContact CE2-CE 4.34Å; Y243-M251 HydrophobicContact CE2-SD 3.62Å; Y243-M251 HydrophobicContact CG-SD 4.49Å; F247-M251 WeakPolarHBondContact O-CG 3.34Å; F247-M251 PolarHBondContact O-N 3.38Å; S248-M251 PolarHBondContact O-N 3.39Å
252	D	90.7	Very high	88.6	Confident	102 Å²	102	61.1 Å²	61.1	55%	0.545	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-28.7	-175.1	-59.2	-19.7	0	0	0	111.8	S248	S248-D252 VanDerWaalsContact O-CB 3.3Å; S248-D252 WeakPolarHBondContact O-CB 3.2Å; S248-D252 VanDerWaalsContact O-CG 3.29Å; S248-D252 PolarHBondContact O-N 3.42Å
253	F	91.9	Very high	87.2	Confident	27 Å²	27	66 Å²	66	12%	0.118	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	23	-172.4	-59.4	-77.2	0	0	0	113.6	Y223 H225 N255 D256 Y257 P516	Y223-F253 AromaticContact CD1-CD2 3.9Å; Y223-F253 HydrophobicContact CD1-CD2 3.9Å; Y223-F253 AromaticContact CD1-CE2 3.8Å; Y223-F253 HydrophobicContact CD1-CE2 3.8Å; Y223-F253 HydrophobicContact CE1-CD2 4.02Å; Y223-F253 AromaticContact CE1-CE2 3.66Å; Y223-F253 HydrophobicContact CE1-CE2 3.66Å; H225-F253 HydrophobicContact CB-CB 3.88Å; H225-F253 HydrophobicContact CB-CG 4.48Å; H225-F253 AromaticContact CD2-CD1 3.96Å; H225-F253 AromaticContact CD2-CG 3.66Å; H225-F253 AromaticContact CE1-CD1 3.32Å; H225-F253 WeakPolarHBondContact CE1-CD1 3.38Å; H225-F253 AromaticContact CE1-CE1 3.64Å; H225-F253 AromaticContact CE1-CG 3.85Å; H225-F253 AromaticContact CG-CD1 3.94Å; H225-F253 AromaticContact CG-CG 3.8Å; H225-F253 AromaticContact ND1-CD1 3.53Å; H225-F253 AromaticContact ND1-CG 3.89Å; H225-F253 AromaticContact NE2-CD1 3.61Å; H225-F253 AromaticContact NE2-CE1 3.84Å; H225-F253 AromaticContact NE2-CG 3.74Å; F253-N255 PolarHBondContact O-N 3Å; F253-D256 HydrophobicContact CB-CB 4.32Å; F253-D256 WeakPolarHBondContact O-CB 3.49Å; F253-D256 PolarHBondContact O-N 2.92Å; F253-Y257 HydrophobicContact CB-CE2 4.17Å; F253-Y257 VanDerWaalsContact O-CD2 3.24Å; F253-Y257 WeakPolarHBondContact O-CD2 3.36Å; F253-P516 HydrophobicContact CD2-CG 4.37Å; F253-P516 HydrophobicContact CE1-CG 4.07Å; F253-P516 HydrophobicContact CE2-CG 3.31Å; F253-P516 HydrophobicContact CZ-CG 3.14Å
254	K	88.8	Confident	85.6	Confident	66 Å²	66	67.4 Å²	67.4	29%	0.287	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-48.3	-39.7	-175.4	-174.9	179.4	178.3	179.1	0	113.4	Y243 V250 L274	Y243-K254 HydrophobicContact CE2-CD 4.21Å; V250-K254 VanDerWaalsContact O-CA 3.31Å; V250-K254 WeakPolarHBondContact O-CA 3.2Å; V250-K254 PolarHBondContact O-N 3.02Å; K254-L274 WeakPolarHBondContact CE-O 3.35Å; K254-L274 HydrophobicContact CG-CB 3.93Å; K254-L274 HydrophobicContact CG-CD1 4.26Å
255	N	88.7	Confident	84.5	Confident	108 Å²	108	65 Å²	65	58%	0.578	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-82.2	-11.7	-176.6	-60.1	-23.3	0	0	0	113.8	F253 L272	F253-N255 PolarHBondContact O-N 3Å; N255-L272 WeakPolarHBondContact O-CD2 3.49Å
256	D	90.9	Very high	83.3	Confident	57 Å²	57	74.3 Å²	74.3	31%	0.305	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-92.9	-9.6	179.5	-67.9	-0.6	0	0	0	111.9	Y200 H225 G226 F253 T258	Y200-D256 PolarHBondContact OH-OD2 2.69Å; H225-D256 HydrophobicContact CB-CB 3.64Å; H225-D256 IonicContact CE1-OD2 3.19Å; H225-D256 IonicContact ND1-OD2 3.56Å; H225-D256 PolarHBondContact ND1-OD2 3.12Å; G226-D256 PolarHBondContact N-O 2.87Å; F253-D256 HydrophobicContact CB-CB 4.32Å; F253-D256 WeakPolarHBondContact O-CB 3.49Å; F253-D256 PolarHBondContact O-N 2.92Å; D256-T258 PolarHBondContact O-N 2.58Å
257	Y	91	Very high	82.1	Confident	1 Å²	1	75.6 Å²	75.6	0%	0.004	38%	0.378	C	S	.	.			trans	-80	100.9	174.6	-78.2	-80.5	0	0	0	110.9	L224 H225 L239 S249 V250 F253 L273 L274	L224-Y257 HydrophobicContact CB-CE1 3.86Å; H225-Y257 HydrophobicContact CB-CD2 4.25Å; H225-Y257 HydrophobicContact CB-CE1 4.42Å; H225-Y257 HydrophobicContact CB-CE2 3.92Å; L239-Y257 HydrophobicContact CD1-CD1 3.63Å; L239-Y257 HydrophobicContact CD1-CE1 4.25Å; L239-Y257 HydrophobicContact CD1-CG 4.12Å; L239-Y257 HydrophobicContact CD2-CD1 3.77Å; L239-Y257 HydrophobicContact CD2-CE1 3.5Å; L239-Y257 VanDerWaalsContact CD2-CE1 3.5Å; L239-Y257 HydrophobicContact CD2-CG 4.47Å; L239-Y257 HydrophobicContact CG-CD1 4.38Å; S249-Y257 WeakPolarHBondContact O-CE2 3.14Å; S249-Y257 PolarHBondContact O-OH 3.14Å; V250-Y257 HydrophobicContact CB-CE2 4.49Å; V250-Y257 HydrophobicContact CG2-CE2 4.18Å; F253-Y257 HydrophobicContact CB-CE2 4.17Å; F253-Y257 VanDerWaalsContact O-CD2 3.24Å; F253-Y257 WeakPolarHBondContact O-CD2 3.36Å; Y257-L273 PolarHBondContact O-N 3.01Å; Y257-L274 HydrophobicContact CD2-CD1 4.28Å; Y257-L274 HydrophobicContact CG-CD1 4.42Å
258	T	90.3	Very high	81.1	Confident	21 Å²	21	78.9 Å²	78.9	13%	0.129	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.4	178.2	57.3	0	0	0	0	110.8	D256 Q270 V271 L272	D256-T258 PolarHBondContact O-N 2.58Å; T258-Q270 HydrophobicContact CG2-CG 4.05Å; T258-Q270 PolarHBondContact OG1-NE2 2.93Å; T258-V271 CarbonylContact C-O 3.6Å; T258-V271 WeakPolarHBondContact CA-O 3.36Å; T258-L272 HydrophobicContact CG2-CD2 3.9Å; T258-L272 HydrophobicContact CG2-CG 4.32Å
259	C	90.6	Very high	80.5	Confident	4 Å²	4	85 Å²	85	3%	0.027	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160.8	172.3	67.8	0	0	0	0	111.1	F229 C231 Q270 V271 L273	F229-C259 HydrophobicContact CB-CB 4.17Å; F229-C259 CarbonylContact O-C 3.57Å; F229-C259 VanDerWaalsContact O-CA 3.23Å; F229-C259 WeakPolarHBondContact O-CA 3.34Å; F229-C259 WeakPolarHBondContact O-CB 3.45Å; C231-C259 VanDerWaalsContact CA-SG 3.56Å; C231-C259 HydrophobicContact CB-CB 3.87Å; C231-C259 WeakPolarHBondContact CB-SG 3.33Å; C231-C259 WeakPolarHBondContact SG-CB 3.48Å; C231-C259 CovalentContact SG-SG 2.02Å; C231-C259 PolarHBondContact SG-SG 3.21Å; C259-Q270 CarbonylContact O-C 3.33Å; C259-Q270 WeakPolarHBondContact O-CA 3.27Å; C259-V271 PolarHBondContact N-O 2.99Å; C259-V271 PolarHBondContact O-N 2.78Å; C259-L273 HydrophobicContact CB-CD1 3.78Å; C259-L273 HydrophobicContact CB-CD2 4.25Å; C259-L273 HydrophobicContact CB-CG 3.98Å
260	R	89.1	Confident	80	Confident	102 Å²	102	91.4 Å²	91.4	39%	0.385	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120	178	-62.3	-179.4	-170	167.5	-3.8	109.8	F229 C231 R269	F229-R260 PolarHBondContact O-N 2.89Å; C231-R260 PolarHBondContact N-O 3.19Å; C231-R260 PolarHBondContact SG-O 2.8Å; R260-R269 WeakPolarHBondContact CA-O 3.08Å
261	L	83.6	Confident	79.6	Confident	79 Å²	79	92.7 Å²	92.7	41%	0.414	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.3	168.5	-141.1	96.3	0	0	0	108.3	C231 S268 R269 M279	C231-L261 HydrophobicContact CB-CD1 3.71Å; L261-S268 WeakPolarHBondContact O-CA 3.24Å; L261-R269 PolarHBondContact N-O 3Å; L261-R269 PolarHBondContact O-N 2.96Å; L261-R269 VanDerWaalsContact O-N 3.1Å; L261-M279 HydrophobicContact CD1-SD 4.43Å
262	W	72.6	Confident	79.3	Confident	179 Å²	179	91.9 Å²	91.9	68%	0.678	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	107.6	173.4	-66.5	-35.5	0	0	0	109.2	V230	V230-W262 HydrophobicContact CG2-CH2 4.13Å; V230-W262 HydrophobicContact CG2-CZ2 4.36Å
263	S	61.4	Low	78.9	Confident	103 Å²	103	87.4 Å²	87.4	72%	0.72	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	-29.1	175.1	-172.9	0	0	0	0	111.9
264	D	55.6	Low	78.3	Confident	119 Å²	119	87.2 Å²	87.2	64%	0.636	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-164.6	159.3	175.1	-131.1	-25.4	0	0	0	109.4	R266 H267	D264-R266 PolarHBondContact O-N 3.24Å; D264-H267 PolarHBondContact O-N 3.22Å
265	S	62.1	Low	77.4	Confident	117 Å²	117	89.3 Å²	89.3	82%	0.818	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-5.1	-170.6	55.2	0	0	0	0	117.5
266	R	60.2	Low	76.1	Confident	221 Å²	221	88.1 Å²	88.1	83%	0.834	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	-4	-179.5	-71.7	-171.7	-88.5	-143	-2.8	116.1	D264	D264-R266 PolarHBondContact O-N 3.24Å
267	H	61.8	Low	74.7	Confident	145 Å²	145	90.1 Å²	90.1	67%	0.671	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	110.7	-178.7	-61.3	97.4	0	0	0	111.2	D264	D264-H267 PolarHBondContact O-N 3.22Å
268	S	68.3	Low	73.3	Confident	71 Å²	71	96.1 Å²	96.1	50%	0.497	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.3	168.5	61.9	0	0	0	0	109.8	L261	L261-S268 WeakPolarHBondContact O-CA 3.24Å
269	R	78.4	Confident	72.3	Confident	187 Å²	187	97.2 Å²	97.2	71%	0.706	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	130	169.5	-174.1	176.8	178.1	-177.4	-1.4	108.8	R260 L261 V271	R260-R269 WeakPolarHBondContact CA-O 3.08Å; L261-R269 PolarHBondContact N-O 3Å; L261-R269 PolarHBondContact O-N 2.96Å; L261-R269 VanDerWaalsContact O-N 3.1Å; R269-V271 HydrophobicContact CG-CG2 4.17Å
270	Q	80.9	Confident	71.7	Confident	135 Å²	135	104.8 Å²	104.8	63%	0.631	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	129	172	-168.2	170	3.7	0	0	108.9	T258 C259	T258-Q270 HydrophobicContact CG2-CG 4.05Å; T258-Q270 PolarHBondContact OG1-NE2 2.93Å; C259-Q270 CarbonylContact O-C 3.33Å; C259-Q270 WeakPolarHBondContact O-CA 3.27Å
271	V	84.3	Confident	71.4	Confident	26 Å²	26	100.8 Å²	100.8	16%	0.158	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142.4	-176.1	-175.2	0	0	0	0	109	T258 C259 R269 F278	T258-V271 CarbonylContact C-O 3.6Å; T258-V271 WeakPolarHBondContact CA-O 3.36Å; C259-V271 PolarHBondContact N-O 2.99Å; C259-V271 PolarHBondContact O-N 2.78Å; R269-V271 HydrophobicContact CG-CG2 4.17Å; V271-F278 HydrophobicContact CG1-CD2 3.72Å; V271-F278 HydrophobicContact CG1-CE2 4.21Å
272	L	85.2	Confident	71.5	Confident	60 Å²	60	99.6 Å²	99.6	31%	0.314	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.6	175	-74	151.5	0	0	0	109.7	N255 T258 Q275	N255-L272 WeakPolarHBondContact O-CD2 3.49Å; T258-L272 HydrophobicContact CG2-CD2 3.9Å; T258-L272 HydrophobicContact CG2-CG 4.32Å; L272-Q275 HydrophobicContact CB-CB 4.18Å
273	L	81.3	Confident	71.8	Confident	7 Å²	7	96.9 Å²	96.9	4%	0.037	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-30.2	-171.9	-86.5	153.5	0	0	0	114.1	L235 L239 Y257 C259	L235-L273 HydrophobicContact CD2-CD1 3.92Å; L235-L273 HydrophobicContact CG-CD1 4.45Å; L239-L273 HydrophobicContact CD1-CB 4.18Å; L239-L273 HydrophobicContact CD1-CD1 3.72Å; L239-L273 HydrophobicContact CD1-CG 4.45Å; Y257-L273 PolarHBondContact O-N 3.01Å; C259-L273 HydrophobicContact CB-CD1 3.78Å; C259-L273 HydrophobicContact CB-CD2 4.25Å; C259-L273 HydrophobicContact CB-CG 3.98Å
274	L	78.6	Confident	72.6	Confident	24 Å²	24	96 Å²	96	13%	0.126	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	3.9	-166.8	-71.9	168	0	0	0	114.6	L239 V240 V250 K254 Y257	L239-L274 HydrophobicContact CB-CD1 4.36Å; L239-L274 HydrophobicContact CB-CD2 4.01Å; L239-L274 HydrophobicContact CB-CG 4.37Å; V240-L274 HydrophobicContact CG2-CD2 4.37Å; V250-L274 HydrophobicContact CG1-CD1 3.33Å; K254-L274 WeakPolarHBondContact CE-O 3.35Å; K254-L274 HydrophobicContact CG-CB 3.93Å; K254-L274 HydrophobicContact CG-CD1 4.26Å; Y257-L274 HydrophobicContact CD2-CD1 4.28Å; Y257-L274 HydrophobicContact CG-CD1 4.42Å
275	Q	71.3	Confident	73.7	Confident	110 Å²	110	93.9 Å²	93.9	51%	0.514	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-36.3	-174.7	-168.1	159.5	-10.1	0	0	112.6	L272	L272-Q275 HydrophobicContact CB-CB 4.18Å
276	D	60.3	Low	74.5	Confident	82 Å²	82	89.9 Å²	89.9	44%	0.439	46%	0.455	S	S	.	.	S	Bend	trans	-138.6	136.7	-173.4	-68.2	-47.6	0	0	0	108.6	F278	D276-F278 HydrophobicContact CB-CD1 4.21Å; D276-F278 HydrophobicContact CB-CD2 3.31Å; D276-F278 HydrophobicContact CB-CE1 3.93Å; D276-F278 HydrophobicContact CB-CE2 3.02Å; D276-F278 HydrophobicContact CB-CG 3.92Å; D276-F278 HydrophobicContact CB-CZ 3.32Å; D276-F278 VanDerWaalsContact CG-CE2 3.47Å; D276-F278 VanDerWaalsContact CG-CZ 3.49Å; D276-F278 PolarHBondContact O-N 2.85Å; D276-F278 WeakPolarHBondContact OD2-CE2 3.32Å; D276-F278 WeakPolarHBondContact OD2-CZ 3.38Å
277	S	61.9	Low	75.4	Confident	99 Å²	99	82.6 Å²	82.6	69%	0.692	43%	0.433	S	S	*	.			trans	-72.7	56.4	179	58.9	0	0	0	0	111.7	M279	S277-M279 VanDerWaalsContact C-N 3.34Å
278	F	62.4	Low	76.2	Confident	128 Å²	128	77.4 Å²	77.4	56%	0.561	42%	0.418	S	S	*	.			trans	-75	-25.3	-176.5	-70.1	-55.1	0	0	0	113	V271 D276 N280	V271-F278 HydrophobicContact CG1-CD2 3.72Å; V271-F278 HydrophobicContact CG1-CE2 4.21Å; D276-F278 HydrophobicContact CB-CD1 4.21Å; D276-F278 HydrophobicContact CB-CD2 3.31Å; D276-F278 HydrophobicContact CB-CE1 3.93Å; D276-F278 HydrophobicContact CB-CE2 3.02Å; D276-F278 HydrophobicContact CB-CG 3.92Å; D276-F278 HydrophobicContact CB-CZ 3.32Å; D276-F278 VanDerWaalsContact CG-CE2 3.47Å; D276-F278 VanDerWaalsContact CG-CZ 3.49Å; D276-F278 PolarHBondContact O-N 2.85Å; D276-F278 WeakPolarHBondContact OD2-CE2 3.32Å; D276-F278 WeakPolarHBondContact OD2-CZ 3.38Å; F278-N280 PolarHBondContact O-N 3.04Å
279	M	69.3	Low	76.8	Confident	43 Å²	43	74.5 Å²	74.5	21%	0.212	40%	0.398	C	S	.	.			trans	-87.2	98.8	179.6	-64.9	-75.4	-81.5	0	0	108.5	C231 D232 Y236 L261 S277 C281	C231-M279 HydrophobicContact CB-CE 4.2Å; C231-M279 HydrophobicContact CB-SD 4.3Å; D232-M279 WeakPolarHBondContact O-CE 3.26Å; Y236-M279 HydrophobicContact CG-CB 4.49Å; L261-M279 HydrophobicContact CD1-SD 4.43Å; S277-M279 VanDerWaalsContact C-N 3.34Å; M279-C281 PolarHBondContact O-N 3.01Å
280	N	77.1	Confident	76.8	Confident	164 Å²	164	66.6 Å²	66.6	88%	0.877	37%	0.369	S	S	*	.			trans	-69.1	64.1	168.8	-78.4	-11.8	0	0	0	110.3	F278	F278-N280 PolarHBondContact O-N 3.04Å
281	C	83.4	Confident	76.8	Confident	18 Å²	18	65.3 Å²	65.3	12%	0.122	36%	0.358	C	S	.	.			trans	-73.1	135.9	176.5	-66.6	0	0	0	0	109.8	C233 M279 I286	C233-C281 WeakPolarHBondContact CA-SG 3.45Å; C233-C281 HydrophobicContact CB-CB 3.84Å; C233-C281 WeakPolarHBondContact CB-SG 3.15Å; C233-C281 VanDerWaalsContact SG-CA 3.53Å; C233-C281 WeakPolarHBondContact SG-CB 3.39Å; C233-C281 CovalentContact SG-SG 2.04Å; C233-C281 PolarHBondContact SG-SG 2.84Å; M279-C281 PolarHBondContact O-N 3.01Å; C281-I286 HydrophobicContact CB-CD1 4.09Å; C281-I286 HydrophobicContact CB-CG1 4.12Å
282	S	84.7	Confident	76.3	Confident	53 Å²	53	65.8 Å²	65.8	37%	0.371	37%	0.365	S	S	.	.			trans	-68.9	145.3	174.2	62.5	0	0	0	0	110.8	S284 I285 I286	S282-S284 PolarHBondContact O-N 3.21Å; S282-S284 VanDerWaalsContact O-N 3.1Å; S282-S284 PolarHBondContact OG-OG 2.98Å; S282-I285 PolarHBondContact O-N 3.26Å; S282-I285 WeakPolarHBondContact OG-CD1 3.38Å; S282-I285 WeakPolarHBondContact OG-CG1 3.19Å; S282-I286 PolarHBondContact O-N 3.25Å
283	D	80.1	Confident	75.9	Confident	123 Å²	123	63.5 Å²	63.5	66%	0.658	35%	0.353	S	S	*	.	H	α-helix	trans	-57.4	-28.4	176.4	-65.2	-38.1	0	0	0	112.1	I285 I286 N287	D283-I285 PolarHBondContact O-N 3.5Å; D283-I286 PolarHBondContact O-N 3.01Å; D283-N287 WeakPolarHBondContact O-CB 3.23Å; D283-N287 PolarHBondContact O-N 2.85Å; D283-N287 PolarHBondContact O-ND2 3.14Å
284	S	78.1	Confident	75.7	Confident	85 Å²	85	64.1 Å²	64.1	59%	0.594	36%	0.361	S	S	*	.	H	α-helix	trans	-61.9	-40.4	174.9	58.2	0	0	0	0	113.4	S282 G288	S282-S284 PolarHBondContact O-N 3.21Å; S282-S284 VanDerWaalsContact O-N 3.1Å; S282-S284 PolarHBondContact OG-OG 2.98Å; S284-G288 PolarHBondContact O-N 3.31Å
285	I	77.4	Confident	75.8	Confident	73 Å²	73	65.3 Å²	65.3	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-75.5	-38.4	-179.7	-64.7	168.3	0	0	0	110.1	C233 S282 D283 G288 S289	C233-I285 HydrophobicContact CB-CB 4.5Å; C233-I285 HydrophobicContact CB-CG2 3.58Å; S282-I285 PolarHBondContact O-N 3.26Å; S282-I285 WeakPolarHBondContact OG-CD1 3.38Å; S282-I285 WeakPolarHBondContact OG-CG1 3.19Å; D283-I285 PolarHBondContact O-N 3.5Å; I285-G288 PolarHBondContact O-N 3.38Å; I285-S289 WeakPolarHBondContact O-CB 3.3Å; I285-S289 PolarHBondContact O-N 3.41Å; I285-S289 PolarHBondContact O-OG 3.47Å
286	I	79.5	Confident	76.4	Confident	33 Å²	33	61 Å²	61	17%	0.169	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-48.9	175.7	-62	173.2	0	0	0	109.6	C281 S282 D283 G288 S289 F290	C281-I286 HydrophobicContact CB-CD1 4.09Å; C281-I286 HydrophobicContact CB-CG1 4.12Å; S282-I286 PolarHBondContact O-N 3.25Å; D283-I286 PolarHBondContact O-N 3.01Å; I286-G288 VanDerWaalsContact C-N 3.34Å; I286-G288 PolarHBondContact O-N 2.96Å; I286-S289 CarbonylContact O-C 3.51Å; I286-S289 WeakPolarHBondContact O-CB 3.38Å; I286-S289 PolarHBondContact O-N 2.72Å; I286-S289 VanDerWaalsContact O-N 3.12Å; I286-F290 HydrophobicContact CG2-CD2 4.01Å; I286-F290 HydrophobicContact CG2-CE1 4.17Å; I286-F290 HydrophobicContact CG2-CE2 3.58Å; I286-F290 HydrophobicContact CG2-CG 4.47Å; I286-F290 HydrophobicContact CG2-CZ 3.67Å; I286-F290 WeakPolarHBondContact O-CG 3.49Å; I286-F290 PolarHBondContact O-N 3.47Å
287	N	79.3	Confident	77.7	Confident	69 Å²	69	59 Å²	59	37%	0.369	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-40.1	177.2	-71.5	-17.5	0	0	0	111.7	D283 S289 F290 R291 I296	D283-N287 WeakPolarHBondContact O-CB 3.23Å; D283-N287 PolarHBondContact O-N 2.85Å; D283-N287 PolarHBondContact O-ND2 3.14Å; N287-S289 VanDerWaalsContact C-N 3.33Å; N287-S289 PolarHBondContact O-N 3.01Å; N287-F290 PolarHBondContact O-N 2.92Å; N287-R291 WeakPolarHBondContact O-CG 3.31Å; N287-R291 PolarHBondContact O-N 3.13Å; N287-I296 HydrophobicContact CB-CD1 4.23Å
288	G	78.8	Confident	79	Confident	35 Å²	35	59.1 Å²	59.1	36%	0.361	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-42.3	172.3	0	0	0	0	0	112.4	S284 I285 I286 R291 A292	S284-G288 PolarHBondContact O-N 3.31Å; I285-G288 PolarHBondContact O-N 3.38Å; I286-G288 VanDerWaalsContact C-N 3.34Å; I286-G288 PolarHBondContact O-N 2.96Å; G288-R291 PolarHBondContact O-N 2.91Å; G288-A292 PolarHBondContact O-N 3.19Å
289	S	79.7	Confident	80.2	Confident	10 Å²	10	53.3 Å²	53.3	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-66.8	-38.5	176	-57.8	0	0	0	0	111.8	I285 I286 N287 A292 L293	I285-S289 WeakPolarHBondContact O-CB 3.3Å; I285-S289 PolarHBondContact O-N 3.41Å; I285-S289 PolarHBondContact O-OG 3.47Å; I286-S289 CarbonylContact O-C 3.51Å; I286-S289 WeakPolarHBondContact O-CB 3.38Å; I286-S289 PolarHBondContact O-N 2.72Å; I286-S289 VanDerWaalsContact O-N 3.12Å; N287-S289 VanDerWaalsContact C-N 3.33Å; N287-S289 PolarHBondContact O-N 3.01Å; S289-A292 CarbonylContact O-C 3.5Å; S289-A292 WeakPolarHBondContact O-CB 3.38Å; S289-A292 PolarHBondContact O-N 3.39Å; S289-L293 WeakPolarHBondContact O-CB 3.49Å; S289-L293 WeakPolarHBondContact O-CD1 3.49Å; S289-L293 WeakPolarHBondContact O-CG 3.44Å; S289-L293 PolarHBondContact O-N 3.47Å
290	F	80.2	Confident	81.1	Confident	22 Å²	22	54.8 Å²	54.8	10%	0.096	31%	0.305	C	S	.	.	H	α-helix	trans	-70	-32.7	176.8	-73.3	-6.2	0	0	0	113.3	F241 I286 N287 L293 G294 F295 I296	F241-F290 HydrophobicContact CB-CE1 4.35Å; I286-F290 HydrophobicContact CG2-CD2 4.01Å; I286-F290 HydrophobicContact CG2-CE1 4.17Å; I286-F290 HydrophobicContact CG2-CE2 3.58Å; I286-F290 HydrophobicContact CG2-CG 4.47Å; I286-F290 HydrophobicContact CG2-CZ 3.67Å; I286-F290 WeakPolarHBondContact O-CG 3.49Å; I286-F290 PolarHBondContact O-N 3.47Å; N287-F290 PolarHBondContact O-N 2.92Å; F290-L293 HydrophobicContact CD1-CD1 4.39Å; F290-L293 PolarHBondContact O-N 3.39Å; F290-G294 PolarHBondContact O-N 3.34Å; F290-G294 VanDerWaalsContact O-N 3.15Å; F290-F295 HydrophobicContact CB-CB 4.16Å; F290-F295 PolarHBondContact O-N 2.92Å; F290-I296 HydrophobicContact CB-CD1 3.76Å; F290-I296 HydrophobicContact CB-CG1 3.98Å; F290-I296 HydrophobicContact CD2-CD1 4.39Å; F290-I296 PolarHBondContact O-N 2.99Å
291	R	80.9	Confident	81.7	Confident	107 Å²	107	50 Å²	50	40%	0.404	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-46.3	166.9	-69.4	172.1	-165	-163.9	-0.2	110.9	N287 G288 L293 G294 I296 E298	N287-R291 WeakPolarHBondContact O-CG 3.31Å; N287-R291 PolarHBondContact O-N 3.13Å; G288-R291 PolarHBondContact O-N 2.91Å; R291-L293 PolarHBondContact O-N 3.32Å; R291-G294 PolarHBondContact O-N 3.45Å; R291-I296 WeakPolarHBondContact CA-O 3.42Å; R291-I296 HydrophobicContact CG-CB 3.83Å; R291-I296 HydrophobicContact CG-CG2 3.87Å; R291-E298 IonicContact CZ-OE1 3.71Å; R291-E298 IonicContact CZ-OE2 3.03Å; R291-E298 IonicContact NE-OE1 2.88Å; R291-E298 IonicContact NE-OE2 2.79Å; R291-E298 IonicContact NH1-OE1 2.83Å; R291-E298 PolarHBondContact NH1-OE1 3.4Å; R291-E298 IonicContact NH1-OE2 3.37Å; R291-E298 PolarHBondContact NH1-OE2 3.32Å; R291-E298 IonicContact NH2-OE1 2.71Å; R291-E298 PolarHBondContact NH2-OE1 3.24Å
292	A	73	Confident	81.8	Confident	36 Å²	36	51 Å²	51	30%	0.298	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-20.2	176.8	0	0	0	0	0	113.1	N212 G288 S289	N212-A292 WeakPolarHBondContact CB-O 3.22Å; N212-A292 PolarHBondContact ND2-O 3.42Å; N212-A292 PolarHBondContact OD1-O 2.98Å; G288-A292 PolarHBondContact O-N 3.19Å; S289-A292 CarbonylContact O-C 3.5Å; S289-A292 WeakPolarHBondContact O-CB 3.38Å; S289-A292 PolarHBondContact O-N 3.39Å
293	L	76.8	Confident	82	Confident	12 Å²	12	53.3 Å²	53.3	6%	0.063	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	1	178.1	-71.4	165.1	0	0	0	113.6	M208 I211 N212 L238 F241 S289 F290 R291	M208-L293 HydrophobicContact CE-CD1 4.43Å; I211-L293 HydrophobicContact CG2-CD2 3.48Å; I211-L293 VanDerWaalsContact CG2-CD2 3.48Å; N212-L293 VanDerWaalsContact OD1-C 3.31Å; L238-L293 HydrophobicContact CD1-CD1 4.35Å; L238-L293 HydrophobicContact CD1-CD2 3.68Å; F241-L293 HydrophobicContact CB-CD1 4.25Å; F241-L293 HydrophobicContact CD1-CD1 4.22Å; F241-L293 HydrophobicContact CD1-CD2 4.45Å; F241-L293 HydrophobicContact CG-CD1 4.25Å; S289-L293 WeakPolarHBondContact O-CB 3.49Å; S289-L293 WeakPolarHBondContact O-CD1 3.49Å; S289-L293 WeakPolarHBondContact O-CG 3.44Å; S289-L293 PolarHBondContact O-N 3.47Å; F290-L293 HydrophobicContact CD1-CD1 4.39Å; F290-L293 PolarHBondContact O-N 3.39Å; R291-L293 PolarHBondContact O-N 3.32Å
294	G	77.4	Confident	82.5	Confident	21 Å²	21	53.1 Å²	53.1	22%	0.216	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	19	179	0	0	0	0	0	115.2	N212 F290 R291 H297	N212-G294 PolarHBondContact OD1-N 3.27Å; F290-G294 PolarHBondContact O-N 3.34Å; F290-G294 VanDerWaalsContact O-N 3.15Å; R291-G294 PolarHBondContact O-N 3.45Å; G294-H297 PolarHBondContact O-NE2 3.07Å
295	F	79.8	Confident	83.2	Confident	49 Å²	49	50 Å²	50	22%	0.215	27%	0.267	C	S	.	.	S	Bend	trans	-89.2	-27.2	173.9	-160.4	-92.5	0	0	0	112.3	F241 F290 D376 V377 T378	F241-F295 HydrophobicContact CD2-CD2 4.46Å; F241-F295 HydrophobicContact CE2-CD2 4.08Å; F290-F295 HydrophobicContact CB-CB 4.16Å; F290-F295 PolarHBondContact O-N 2.92Å; F295-D376 WeakPolarHBondContact CD2-O 3.21Å; F295-D376 WeakPolarHBondContact CE2-O 3.39Å; F295-D376 HydrophobicContact CZ-CB 4.32Å; F295-D376 WeakPolarHBondContact CZ-O 3.29Å; F295-V377 WeakPolarHBondContact O-CA 3.15Å; F295-T378 PolarHBondContact O-N 3.33Å
296	I	84.2	Confident	83.9	Confident	18 Å²	18	50 Å²	50	9%	0.092	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.7	177	-59.2	174.3	0	0	0	108.4	N287 F290 R291 T378	N287-I296 HydrophobicContact CB-CD1 4.23Å; F290-I296 HydrophobicContact CB-CD1 3.76Å; F290-I296 HydrophobicContact CB-CG1 3.98Å; F290-I296 HydrophobicContact CD2-CD1 4.39Å; F290-I296 PolarHBondContact O-N 2.99Å; R291-I296 WeakPolarHBondContact CA-O 3.42Å; R291-I296 HydrophobicContact CG-CB 3.83Å; R291-I296 HydrophobicContact CG-CG2 3.87Å; I296-T378 CarbonylContact C-O 3.58Å; I296-T378 WeakPolarHBondContact CA-O 3.25Å
297	H	88	Confident	84.4	Confident	42 Å²	42	48.4 Å²	48.4	19%	0.194	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.2	173.7	-70.5	-92	0	0	0	109.8	G294 L305 V307 T378 I379 N380	G294-H297 PolarHBondContact O-NE2 3.07Å; H297-L305 HydrophobicContact CB-CD1 4.46Å; H297-L305 HydrophobicContact CB-CD2 4.5Å; H297-V307 HydrophobicContact CB-CG2 4.49Å; H297-T378 PolarHBondContact N-O 3.36Å; H297-I379 HydrophobicContact CB-CG1 4.47Å; H297-N380 PolarHBondContact O-N 3.26Å
298	E	88.1	Confident	84.9	Confident	101 Å²	101	50.7 Å²	50.7	47%	0.472	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.3	171.8	-64.5	-168.2	130.4	0	0	109	R291 N380	R291-E298 IonicContact CZ-OE1 3.71Å; R291-E298 IonicContact CZ-OE2 3.03Å; R291-E298 IonicContact NE-OE1 2.88Å; R291-E298 IonicContact NE-OE2 2.79Å; R291-E298 IonicContact NH1-OE1 2.83Å; R291-E298 PolarHBondContact NH1-OE1 3.4Å; R291-E298 IonicContact NH1-OE2 3.37Å; R291-E298 PolarHBondContact NH1-OE2 3.32Å; R291-E298 IonicContact NH2-OE1 2.71Å; R291-E298 PolarHBondContact NH2-OE1 3.24Å; E298-N380 WeakPolarHBondContact CA-O 3.46Å
299	A	88.7	Confident	85.4	Confident	6 Å²	6	49.7 Å²	49.7	5%	0.05	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.4	176.4	0	0	0	0	0	110.7	L305 P352 N380 V381 S382	A299-L305 HydrophobicContact CB-CB 4.17Å; A299-L305 HydrophobicContact CB-CD1 4.14Å; A299-L305 HydrophobicContact CB-CD2 3.92Å; A299-L305 HydrophobicContact CB-CG 4.27Å; A299-P352 HydrophobicContact CB-CB 4.3Å; A299-P352 HydrophobicContact CB-CG 4.16Å; A299-N380 PolarHBondContact N-O 2.94Å; A299-V381 HydrophobicContact CB-CG2 4.45Å; A299-V381 WeakPolarHBondContact O-CA 3.32Å; A299-S382 PolarHBondContact O-N 3.29Å
300	Q	88.1	Confident	85.6	Confident	73 Å²	73	51.8 Å²	51.8	34%	0.341	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	149.6	169.8	-57	-175.4	37.6	0	0	110	G302 E303 S382	Q300-G302 PolarHBondContact O-N 3.21Å; Q300-G302 VanDerWaalsContact O-N 3.14Å; Q300-E303 HydrophobicContact CB-CB 4.05Å; Q300-E303 HydrophobicContact CB-CG 3.84Å; Q300-E303 WeakPolarHBondContact CB-OE2 3.39Å; Q300-E303 WeakPolarHBondContact CG-OE2 3.4Å; Q300-E303 PolarHBondContact NE2-OE2 2.97Å; Q300-E303 PolarHBondContact O-N 3.06Å; Q300-S382 WeakPolarHBondContact CA-O 3.42Å
301	V	89.1	Confident	85.8	Confident	63 Å²	63	51 Å²	51	38%	0.382	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	122.3	176	179.4	0	0	0	0	109.6	E303 P352 F354 V381 S382 N383	V301-E303 VanDerWaalsContact C-N 3.29Å; V301-E303 PolarHBondContact O-N 3.36Å; V301-P352 WeakPolarHBondContact CA-O 3.02Å; V301-F354 HydrophobicContact CG2-CD2 4.13Å; V301-F354 HydrophobicContact CG2-CE1 4.4Å; V301-F354 HydrophobicContact CG2-CE2 3.78Å; V301-F354 HydrophobicContact CG2-CZ 3.96Å; V301-V381 HydrophobicContact CG2-CG1 3.75Å; V301-S382 PolarHBondContact N-O 2.97Å; V301-N383 HydrophobicContact CG2-CB 4.17Å
302	G	85.9	Confident	85.6	Confident	40 Å²	40	48.1 Å²	48.1	41%	0.412	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-1.4	-179.6	0	0	0	0	0	116.4	Q300 S351 P352	Q300-G302 PolarHBondContact O-N 3.21Å; Q300-G302 VanDerWaalsContact O-N 3.14Å; G302-S351 WeakPolarHBondContact CA-OG 3.11Å; G302-P352 PolarHBondContact N-O 3.26Å; G302-P352 VanDerWaalsContact N-O 3.13Å
303	E	88.3	Confident	85.5	Confident	101 Å²	101	47.7 Å²	47.7	47%	0.472	25%	0.246	S	C	.	.	S	Bend	trans	-89.5	123.7	171.7	-73	-168.2	160.4	0	0	110.9	Q300 V301 L305 P352	Q300-E303 HydrophobicContact CB-CB 4.05Å; Q300-E303 HydrophobicContact CB-CG 3.84Å; Q300-E303 WeakPolarHBondContact CB-OE2 3.39Å; Q300-E303 WeakPolarHBondContact CG-OE2 3.4Å; Q300-E303 PolarHBondContact NE2-OE2 2.97Å; Q300-E303 PolarHBondContact O-N 3.06Å; V301-E303 VanDerWaalsContact C-N 3.29Å; V301-E303 PolarHBondContact O-N 3.36Å; E303-L305 PolarHBondContact O-N 3.45Å; E303-P352 WeakPolarHBondContact O-CD 3.28Å; E303-P352 WeakPolarHBondContact O-CG 3.15Å
304	R	91.4	Very high	85	Confident	120 Å²	120	48.2 Å²	48.2	45%	0.453	25%	0.254	S	S	.	.			trans	-54.3	120.2	178.9	-176.2	176.4	-170.8	-85.9	3.4	111.6	I306 V348 I349 E350	R304-I306 VanDerWaalsContact NH1-CG1 3.34Å; R304-V348 HydrophobicContact CG-CG1 4.18Å; R304-V348 VanDerWaalsContact CZ-CG1 3.46Å; R304-V348 VanDerWaalsContact NH2-CG1 3.32Å; R304-I349 WeakPolarHBondContact CA-O 3.37Å; R304-E350 WeakPolarHBondContact CA-O 3.24Å; R304-E350 VanDerWaalsContact CD-OE2 3.23Å; R304-E350 WeakPolarHBondContact CD-OE2 3.43Å; R304-E350 IonicContact CZ-OE1 3.05Å; R304-E350 IonicContact NE-OE1 3.71Å; R304-E350 PolarHBondContact NE-OE1 3.16Å; R304-E350 IonicContact NE-OE2 2.98Å; R304-E350 PolarHBondContact NE-OE2 2.95Å; R304-E350 IonicContact NH2-OE1 3.9Å; R304-E350 PolarHBondContact NH2-OE1 3.2Å
305	L	92.3	Very high	84.5	Confident	19 Å²	19	50.8 Å²	50.8	10%	0.099	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.8	178.7	-179.9	70.6	0	0	0	110.4	H297 A299 E303 V307 V348 I349 P352 I379	H297-L305 HydrophobicContact CB-CD1 4.46Å; H297-L305 HydrophobicContact CB-CD2 4.5Å; A299-L305 HydrophobicContact CB-CB 4.17Å; A299-L305 HydrophobicContact CB-CD1 4.14Å; A299-L305 HydrophobicContact CB-CD2 3.92Å; A299-L305 HydrophobicContact CB-CG 4.27Å; E303-L305 PolarHBondContact O-N 3.45Å; L305-V307 HydrophobicContact CD1-CG2 4.46Å; L305-V307 HydrophobicContact CD2-CG2 3.68Å; L305-V307 HydrophobicContact CG-CG2 3.86Å; L305-V348 WeakPolarHBondContact O-CA 3.31Å; L305-I349 HydrophobicContact CB-CB 4.41Å; L305-I349 HydrophobicContact CD2-CD1 4.23Å; L305-I349 PolarHBondContact N-O 3.19Å; L305-I349 PolarHBondContact O-N 3.05Å; L305-P352 HydrophobicContact CB-CG 4.13Å; L305-I379 HydrophobicContact CD2-CD1 3.96Å; L305-I379 HydrophobicContact CD2-CG1 4.4Å; L305-I379 HydrophobicContact CD2-CG2 3.68Å
306	I	91.7	Very high	83.8	Confident	73 Å²	73	53.6 Å²	53.6	37%	0.374	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.5	170.6	-48.5	176.7	0	0	0	108.4	R304 V348	R304-I306 VanDerWaalsContact NH1-CG1 3.34Å; I306-V348 HydrophobicContact CB-CG2 4.48Å; I306-V348 HydrophobicContact CG1-CG2 4.13Å; I306-V348 HydrophobicContact CG2-CG2 4.13Å
307	V	91.5	Very high	83.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	118.2	177.2	-176.1	0	0	0	0	108.5	H297 L305 W322 S346 L347 V377 I379	H297-V307 HydrophobicContact CB-CG2 4.49Å; L305-V307 HydrophobicContact CD1-CG2 4.46Å; L305-V307 HydrophobicContact CD2-CG2 3.68Å; L305-V307 HydrophobicContact CG-CG2 3.86Å; V307-W322 HydrophobicContact CB-CH2 4.44Å; V307-W322 HydrophobicContact CG1-CH2 3.68Å; V307-W322 HydrophobicContact CG1-CZ2 4.26Å; V307-S346 CarbonylContact O-C 3.48Å; V307-S346 WeakPolarHBondContact O-CA 3.28Å; V307-L347 HydrophobicContact CB-CB 4.49Å; V307-L347 PolarHBondContact N-O 3.38Å; V307-L347 PolarHBondContact O-N 3.45Å; V307-V377 HydrophobicContact CG1-CG2 3.99Å; V307-I379 HydrophobicContact CG2-CD1 3.93Å
308	H	89.9	Confident	83	Confident	117 Å²	117	54.7 Å²	54.7	54%	0.542	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	134	178.2	-63.6	-61.3	0	0	0	110.3	D310 S346	H308-D310 PolarHBondContact O-N 2.95Å; H308-D310 VanDerWaalsContact O-N 3.1Å; H308-S346 PolarHBondContact CE1-OG 3.4Å; H308-S346 PolarHBondContact ND1-OG 3.03Å
309	C	88.4	Confident	82.9	Confident	14 Å²	14	53.1 Å²	53.1	10%	0.095	30%	0.298	C	S	.	.			trans	-76.4	97.7	171.7	-177.5	0	0	0	0	110.9	S311 F320 W322 G345 C362	C309-S311 VanDerWaalsContact C-N 3.26Å; C309-S311 PolarHBondContact O-N 3.05Å; C309-F320 HydrophobicContact CB-CD1 4Å; C309-F320 HydrophobicContact CB-CE1 4.25Å; C309-W322 HydrophobicContact CB-CZ2 3.78Å; C309-G345 WeakPolarHBondContact CB-O 3.45Å; C309-G345 PolarHBondContact N-O 2.61Å; C309-C362 HydrophobicContact CB-CB 3.78Å; C309-C362 WeakPolarHBondContact CB-SG 3.31Å; C309-C362 WeakPolarHBondContact SG-CB 2.94Å; C309-C362 CovalentContact SG-SG 2.01Å; C309-C362 PolarHBondContact SG-SG 2.99Å
310	D	84.6	Confident	82.9	Confident	54 Å²	54	53.6 Å²	53.6	29%	0.289	30%	0.299	S	S	.	.			trans	-82.6	70	-179.1	-164.2	35.2	0	0	0	112.2	G216 R245 H308	G216-D310 WeakPolarHBondContact CA-OD1 3.45Å; G216-D310 WeakPolarHBondContact CA-OD2 3.5Å; G216-D310 PolarHBondContact N-OD1 3.33Å; G216-D310 PolarHBondContact N-OD2 2.96Å; R245-D310 PolarHBondContact NH1-O 3.09Å; R245-D310 PolarHBondContact NH2-O 3.04Å; H308-D310 PolarHBondContact O-N 2.95Å; H308-D310 VanDerWaalsContact O-N 3.1Å
311	S	83.7	Confident	83	Confident	4 Å²	4	51.8 Å²	51.8	3%	0.028	29%	0.291	C	S	.	.			trans	-76.6	137.3	177.6	170	0	0	0	0	111.6	C309 T313 G314 A364 E373	C309-S311 VanDerWaalsContact C-N 3.26Å; C309-S311 PolarHBondContact O-N 3.05Å; S311-T313 PolarHBondContact O-N 2.84Å; S311-T313 PolarHBondContact OG-N 2.8Å; S311-T313 PolarHBondContact OG-OG1 2.95Å; S311-G314 PolarHBondContact O-N 3.28Å; S311-G314 PolarHBondContact OG-N 2.98Å; S311-A364 WeakPolarHBondContact OG-CB 3.04Å; S311-E373 WeakPolarHBondContact CA-OE2 3.5Å; S311-E373 WeakPolarHBondContact CB-OE2 3.23Å; S311-E373 PolarHBondContact OG-OE2 2.99Å
312	K	76.2	Confident	83.1	Confident	47 Å²	47	48.8 Å²	48.8	20%	0.204	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.1	171.9	87.1	-163.7	162.9	179.3	0	112.3	R220 R245 H246 F247 E373	R220-K312 HydrophobicContact CB-CB 4.34Å; R220-K312 VanDerWaalsContact CD-O 3.32Å; R220-K312 WeakPolarHBondContact CD-O 3.45Å; R220-K312 VanDerWaalsContact CZ-O 3.28Å; R220-K312 PolarHBondContact NE-O 3.21Å; R220-K312 PolarHBondContact NH1-O 3.38Å; R245-K312 PolarHBondContact O-NZ 2.84Å; H246-K312 PolarHBondContact O-NZ 2.72Å; F247-K312 HydrophobicContact CD1-CD 4.15Å; F247-K312 HydrophobicContact CE1-CB 3.96Å; F247-K312 HydrophobicContact CE1-CD 3.98Å; K312-E373 WeakPolarHBondContact CB-OE1 3.46Å; K312-E373 VanDerWaalsContact CD-OE1 3.25Å; K312-E373 WeakPolarHBondContact CD-OE1 3.43Å; K312-E373 WeakPolarHBondContact CG-OE1 2.98Å; K312-E373 WeakPolarHBondContact CG-OE2 3.43Å; K312-E373 PolarHBondContact N-OE1 3.12Å; K312-E373 PolarHBondContact N-OE2 3.08Å
313	T	72.3	Confident	83.4	Confident	27 Å²	27	49.7 Å²	49.7	17%	0.166	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	0.5	-178.9	67.6	0	0	0	0	114.5	S311 N315 E373	S311-T313 PolarHBondContact O-N 2.84Å; S311-T313 PolarHBondContact OG-N 2.8Å; S311-T313 PolarHBondContact OG-OG1 2.95Å; T313-N315 PolarHBondContact O-N 2.92Å; T313-E373 PolarHBondContact N-OE2 2.91Å
314	G	64.7	Low	83.6	Confident	24 Å²	24	45 Å²	45	25%	0.247	25%	0.246	C	C	.	.			trans	-56.9	98	-174.8	0	0	0	0	0	114.1	K217 S311	K217-G314 WeakPolarHBondContact CD-O 3.4Å; S311-G314 PolarHBondContact O-N 3.28Å; S311-G314 PolarHBondContact OG-N 2.98Å
315	N	67.8	Low	83.5	Confident	75 Å²	75	41.9 Å²	41.9	40%	0.401	24%	0.241	S	C	.	.			trans	-119.5	170.1	169.1	-72.3	-7.6	0	0	0	109.6	K217 T313 N317 T318	K217-N315 WeakPolarHBondContact CE-OD1 3.43Å; K217-N315 PolarHBondContact NZ-OD1 3Å; T313-N315 PolarHBondContact O-N 2.92Å; N315-N317 PolarHBondContact O-N 2.94Å; N315-T318 PolarHBondContact N-OG1 2.84Å; N315-T318 WeakPolarHBondContact O-CB 3.19Å; N315-T318 PolarHBondContact O-N 3.02Å; N315-T318 PolarHBondContact O-OG1 2.92Å
316	A	65.8	Low	83.4	Confident	108 Å²	108	45.6 Å²	45.6	89%	0.893	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-17	178.3	0	0	0	0	0	115.4
317	N	73.3	Confident	83.1	Confident	76 Å²	76	48.3 Å²	48.3	41%	0.406	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	24.8	-179.7	-59.7	-21	0	0	0	113.1	N315 K367 Q368	N315-N317 PolarHBondContact O-N 2.94Å; N317-K367 PolarHBondContact O-N 2.86Å; N317-Q368 PolarHBondContact ND2-NE2 3.21Å
318	T	81.9	Confident	83	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.043	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.8	-178.7	-40	0	0	0	0	108.6	N315 F320 A364 M365	N315-T318 PolarHBondContact N-OG1 2.84Å; N315-T318 WeakPolarHBondContact O-CB 3.19Å; N315-T318 PolarHBondContact O-N 3.02Å; N315-T318 PolarHBondContact O-OG1 2.92Å; T318-F320 HydrophobicContact CG2-CE1 4.13Å; T318-F320 HydrophobicContact CG2-CE2 4.36Å; T318-F320 HydrophobicContact CG2-CZ 3.96Å; T318-A364 HydrophobicContact CG2-CB 3.9Å; T318-M365 WeakPolarHBondContact CA-O 3.08Å
319	D	85.3	Confident	83	Confident	68 Å²	68	49.2 Å²	49.2	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	144.9	170.4	-67.5	-2.6	0	0	0	108.7	A364 M365 K367	D319-A364 WeakPolarHBondContact O-CA 3.4Å; D319-M365 PolarHBondContact N-O 2.78Å; D319-M365 PolarHBondContact O-N 2.67Å; D319-K367 VanDerWaalsContact CG-CE 3.49Å; D319-K367 WeakPolarHBondContact OD1-CE 3.4Å; D319-K367 IonicContact OD1-NZ 3.75Å; D319-K367 PolarHBondContact OD1-NZ 2.03Å; D319-K367 WeakPolarHBondContact OD2-CE 3.33Å; D319-K367 IonicContact OD2-NZ 3.63Å; D319-K367 PolarHBondContact OD2-NZ 3.09Å
320	F	88.8	Confident	83.1	Confident	16 Å²	16	48.8 Å²	48.8	7%	0.07	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.4	-179.1	-62.8	-83	0	0	0	109.9	C309 T318 P332 A364	C309-F320 HydrophobicContact CB-CD1 4Å; C309-F320 HydrophobicContact CB-CE1 4.25Å; T318-F320 HydrophobicContact CG2-CE1 4.13Å; T318-F320 HydrophobicContact CG2-CE2 4.36Å; T318-F320 HydrophobicContact CG2-CZ 3.96Å; F320-P332 VanDerWaalsContact O-CD 3.28Å; F320-P332 WeakPolarHBondContact O-CD 3.47Å; F320-P332 VanDerWaalsContact O-CG 3.27Å; F320-P332 WeakPolarHBondContact O-CG 3.29Å; F320-A364 HydrophobicContact CD1-CB 3.82Å; F320-A364 HydrophobicContact CE1-CB 3.71Å
321	I	89.8	Confident	83.3	Confident	34 Å²	34	49.9 Å²	49.9	17%	0.174	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.6	174.9	-58.1	173.5	0	0	0	107.4	L329 E331 I363 M365	I321-L329 HydrophobicContact CG2-CD1 3.56Å; I321-L329 HydrophobicContact CG2-CD2 4.21Å; I321-L329 HydrophobicContact CG2-CG 3.71Å; I321-E331 HydrophobicContact CG2-CG 4.3Å; I321-I363 PolarHBondContact N-O 3.13Å; I321-I363 PolarHBondContact O-N 2.94Å; I321-M365 HydrophobicContact CD1-SD 4.02Å
322	W	92.7	Very high	83.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.5	177.3	-79.7	88.5	0	0	0	110.5	V307 C309 L330 V341 G345 L347 S361 C362 V377	V307-W322 HydrophobicContact CB-CH2 4.44Å; V307-W322 HydrophobicContact CG1-CH2 3.68Å; V307-W322 HydrophobicContact CG1-CZ2 4.26Å; C309-W322 HydrophobicContact CB-CZ2 3.78Å; W322-L330 HydrophobicContact CB-CB 3.86Å; W322-L330 HydrophobicContact CB-CD1 4.35Å; W322-L330 PolarHBondContact N-O 2.81Å; W322-L330 PolarHBondContact O-N 2.69Å; W322-V341 HydrophobicContact CB-CG2 4.24Å; W322-V341 HydrophobicContact CG-CG2 4.33Å; W322-G345 PolarHBondContact NE1-O 3.06Å; W322-L347 HydrophobicContact CD2-CB 3.85Å; W322-L347 HydrophobicContact CD2-CD2 3.95Å; W322-L347 HydrophobicContact CD2-CG 4.43Å; W322-L347 HydrophobicContact CE3-CB 4.43Å; W322-L347 HydrophobicContact CE3-CD2 3.84Å; W322-L347 HydrophobicContact CG-CB 4.12Å; W322-L347 HydrophobicContact CG-CD2 4.36Å; W322-L347 HydrophobicContact CZ2-CB 3.93Å; W322-L347 HydrophobicContact CZ3-CD2 4.23Å; W322-S361 CarbonylContact C-O 3.58Å; W322-C362 HydrophobicContact CD2-CB 3.87Å; W322-C362 HydrophobicContact CE3-CB 3.95Å; W322-C362 HydrophobicContact CH2-CB 3.81Å; W322-C362 HydrophobicContact CZ2-CB 3.72Å; W322-C362 HydrophobicContact CZ3-CB 3.91Å; W322-V377 HydrophobicContact CH2-CG2 3.73Å; W322-V377 HydrophobicContact CZ3-CG2 3.52Å
323	M	92.2	Very high	83.6	Confident	59 Å²	59	55.3 Å²	55.3	29%	0.291	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.7	171	-171	173.5	-67.9	0	0	108.5	R328 L329 Y360 S361 I363	M323-R328 WeakPolarHBondContact CA-O 3.33Å; M323-L329 HydrophobicContact CE-CD1 4.35Å; M323-Y360 CarbonylContact O-C 3.01Å; M323-Y360 WeakPolarHBondContact O-CA 3.04Å; M323-S361 PolarHBondContact N-O 3.16Å; M323-S361 PolarHBondContact O-N 3.33Å; M323-I363 HydrophobicContact CE-CD1 4.38Å
324	G	90.7	Very high	84	Confident	3 Å²	3	59.8 Å²	59.8	3%	0.031	33%	0.33	C	S	.	.			trans	-77.3	169	176.1	0	0	0	0	0	113.1	D326 N327 R328	G324-D326 PolarHBondContact O-N 2.82Å; G324-N327 WeakPolarHBondContact O-CA 3.36Å; G324-N327 PolarHBondContact O-N 2.85Å; G324-R328 PolarHBondContact N-O 3.2Å
325	P	90.3	Very high	84.2	Confident	54 Å²	54	66.6 Å²	66.6	35%	0.351	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.2	179	26.6	-34.9	0	0	0	113.3	N327 V359 Y360	P325-N327 VanDerWaalsContact C-N 3.26Å; P325-V359 WeakPolarHBondContact CA-O 3.38Å; P325-Y360 VanDerWaalsContact CD-CZ 3.45Å; P325-Y360 HydrophobicContact CG-CE2 4.09Å
326	D	89.1	Confident	84.6	Confident	97 Å²	97	65.7 Å²	65.7	52%	0.519	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	10.8	173.3	62.6	-23.1	0	0	0	113.2	G324 R328	G324-D326 PolarHBondContact O-N 2.82Å; D326-R328 VanDerWaalsContact CG-CB 3.49Å; D326-R328 PolarHBondContact O-N 2.88Å; D326-R328 WeakPolarHBondContact OD1-CB 3.45Å; D326-R328 PolarHBondContact OD1-N 3.05Å; D326-R328 WeakPolarHBondContact OD2-CB 3.42Å; D326-R328 IonicContact OD2-NE 3.73Å
327	N	87.3	Confident	85.2	Confident	130 Å²	130	70 Å²	70	70%	0.695	35%	0.351	S	S	*	.			trans	59.7	19.9	-170.8	-62.4	-35	0	0	0	114.3	G324 P325	G324-N327 WeakPolarHBondContact O-CA 3.36Å; G324-N327 PolarHBondContact O-N 2.85Å; P325-N327 VanDerWaalsContact C-N 3.26Å
328	R	88.5	Confident	85.9	Confident	65 Å²	65	67.4 Å²	67.4	25%	0.245	34%	0.337	C	S	.	.			trans	-75	130.3	175.3	-179	178.7	61.8	178.7	-1.7	110.7	M323 G324 D326 L330	M323-R328 WeakPolarHBondContact CA-O 3.33Å; G324-R328 PolarHBondContact N-O 3.2Å; D326-R328 VanDerWaalsContact CG-CB 3.49Å; D326-R328 PolarHBondContact O-N 2.88Å; D326-R328 WeakPolarHBondContact OD1-CB 3.45Å; D326-R328 PolarHBondContact OD1-N 3.05Å; D326-R328 WeakPolarHBondContact OD2-CB 3.42Å; D326-R328 IonicContact OD2-NE 3.73Å; R328-L330 HydrophobicContact CG-CD2 4.32Å
329	L	90.7	Very high	86.3	Confident	72 Å²	72	67.3 Å²	67.3	38%	0.377	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.1	175.3	-156.6	83.4	0	0	0	110.7	I321 M323 E331	I321-L329 HydrophobicContact CG2-CD1 3.56Å; I321-L329 HydrophobicContact CG2-CD2 4.21Å; I321-L329 HydrophobicContact CG2-CG 3.71Å; M323-L329 HydrophobicContact CE-CD1 4.35Å; L329-E331 HydrophobicContact CD2-CG 3.7Å; L329-E331 VanDerWaalsContact CD2-OE1 3.29Å; L329-E331 WeakPolarHBondContact CD2-OE1 3.04Å; L329-E331 HydrophobicContact CG-CG 4.17Å
330	L	90.4	Very high	86.6	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	108	178.1	-59.4	176.4	0	0	0	108.1	W322 R328 M336 F339 V341 L347	W322-L330 HydrophobicContact CB-CB 3.86Å; W322-L330 HydrophobicContact CB-CD1 4.35Å; W322-L330 PolarHBondContact N-O 2.81Å; W322-L330 PolarHBondContact O-N 2.69Å; R328-L330 HydrophobicContact CG-CD2 4.32Å; L330-M336 HydrophobicContact CD2-SD 3.51Å; L330-M336 VanDerWaalsContact CD2-SD 3.51Å; L330-F339 HydrophobicContact CD1-CB 4.23Å; L330-F339 HydrophobicContact CD1-CD1 3.87Å; L330-F339 HydrophobicContact CD1-CG 4.23Å; L330-F339 HydrophobicContact CD2-CB 3.96Å; L330-F339 HydrophobicContact CD2-CG 4.33Å; L330-V341 HydrophobicContact CB-CG2 3.71Å; L330-L347 HydrophobicContact CD1-CD1 3.75Å
331	E	88.5	Confident	86.7	Confident	77 Å²	77	66.2 Å²	66.2	36%	0.36	33%	0.33	S	S	.	.			trans	-106	153	-176	-66.3	176.5	142.5	0	0	111	I321 L329 K334	I321-E331 HydrophobicContact CG2-CG 4.3Å; L329-E331 HydrophobicContact CD2-CG 3.7Å; L329-E331 VanDerWaalsContact CD2-OE1 3.29Å; L329-E331 WeakPolarHBondContact CD2-OE1 3.04Å; L329-E331 HydrophobicContact CG-CG 4.17Å; E331-K334 PolarHBondContact O-N 3.28Å
332	P	84.9	Confident	86.6	Confident	34 Å²	34	69.3 Å²	69.3	22%	0.221	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	147	168.6	-18.4	30.8	0	0	0	111	F320 K334 V341	F320-P332 VanDerWaalsContact O-CD 3.28Å; F320-P332 WeakPolarHBondContact O-CD 3.47Å; F320-P332 VanDerWaalsContact O-CG 3.27Å; F320-P332 WeakPolarHBondContact O-CG 3.29Å; P332-K334 PolarHBondContact O-N 3.35Å; P332-K334 VanDerWaalsContact O-N 3.08Å; P332-V341 HydrophobicContact CG-CG1 4.15Å
333	D	79.8	Confident	86.3	Confident	130 Å²	130	75.1 Å²	75.1	70%	0.695	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-0.9	179.3	-58	-31.1	0	0	0	117.2	H343	D333-H343 IonicContact OD1-CE1 2.6Å; D333-H343 PolarHBondContact OD1-CE1 2.99Å; D333-H343 IonicContact OD1-ND1 3.22Å; D333-H343 IonicContact OD1-NE2 2.65Å; D333-H343 IonicContact OD2-CE1 2.76Å; D333-H343 PolarHBondContact OD2-CE1 3.32Å; D333-H343 IonicContact OD2-NE2 2.77Å; D333-H343 PolarHBondContact OD2-NE2 3.37Å
334	K	81.6	Confident	86	Confident	122 Å²	122	77.4 Å²	77.4	53%	0.53	38%	0.383	S	S	.	.			trans	-97	93	171.1	-163.8	175.7	-175.9	178.9	0	109.3	E331 P332 M336	E331-K334 PolarHBondContact O-N 3.28Å; P332-K334 PolarHBondContact O-N 3.35Å; P332-K334 VanDerWaalsContact O-N 3.08Å; K334-M336 PolarHBondContact O-N 3.3Å
335	E	68.6	Low	85.8	Confident	167 Å²	167	77.2 Å²	77.2	78%	0.78	38%	0.381	S	S	*	.			trans	-66.1	117.6	175.8	-70.3	-169.6	167	0	0	110.3
336	M	77.1	Confident	85.8	Confident	55 Å²	55	74.9 Å²	74.9	27%	0.271	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-109.8	138	167.4	-63.6	-165	61.5	0	0	107.6	L330 K334 N338 F339	L330-M336 HydrophobicContact CD2-SD 3.51Å; L330-M336 VanDerWaalsContact CD2-SD 3.51Å; K334-M336 PolarHBondContact O-N 3.3Å; M336-N338 PolarHBondContact O-N 2.75Å; M336-F339 HydrophobicContact CB-CB 4.3Å; M336-F339 PolarHBondContact N-O 3.26Å; M336-F339 CarbonylContact O-C 3.58Å; M336-F339 PolarHBondContact O-N 3.3Å
337	E	77.8	Confident	86	Confident	199 Å²	199	70.2 Å²	70.2	93%	0.93	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	-33.3	-168.3	-67.1	-175.3	164.4	0	0	115.5
338	N	88.5	Confident	86.3	Confident	21 Å²	21	64.1 Å²	64.1	11%	0.112	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-8.9	-179.7	-162.7	33.5	0	0	0	114.5	M336 I349 E350 S351 D356	M336-N338 PolarHBondContact O-N 2.75Å; N338-I349 WeakPolarHBondContact O-CA 3.28Å; N338-E350 PolarHBondContact O-N 3.23Å; N338-E350 VanDerWaalsContact O-N 3.08Å; N338-S351 PolarHBondContact ND2-O 2.99Å; N338-S351 WeakPolarHBondContact OD1-CA 3.49Å; N338-S351 PolarHBondContact OD1-N 3.37Å; N338-S351 PolarHBondContact OD1-O 2.89Å; N338-D356 PolarHBondContact ND2-OD2 2.98Å
339	F	90.9	Very high	86.5	Confident	6 Å²	6	61 Å²	61	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.2	-169.7	-65.2	-92.5	0	0	0	110.9	L330 M336 L347 V348 I349 D356 Y360	L330-F339 HydrophobicContact CD1-CB 4.23Å; L330-F339 HydrophobicContact CD1-CD1 3.87Å; L330-F339 HydrophobicContact CD1-CG 4.23Å; L330-F339 HydrophobicContact CD2-CB 3.96Å; L330-F339 HydrophobicContact CD2-CG 4.33Å; M336-F339 HydrophobicContact CB-CB 4.3Å; M336-F339 PolarHBondContact N-O 3.26Å; M336-F339 CarbonylContact O-C 3.58Å; M336-F339 PolarHBondContact O-N 3.3Å; F339-L347 HydrophobicContact CD1-CD1 4.3Å; F339-V348 WeakPolarHBondContact CA-O 3.34Å; F339-I349 HydrophobicContact CD1-CD1 4.39Å; F339-I349 HydrophobicContact CD1-CG1 3.88Å; F339-I349 HydrophobicContact CD1-CG2 4.48Å; F339-I349 HydrophobicContact CE1-CB 4.45Å; F339-I349 HydrophobicContact CE1-CD1 3.79Å; F339-I349 HydrophobicContact CE1-CG1 3.74Å; F339-I349 HydrophobicContact CE1-CG2 4.04Å; F339-I349 HydrophobicContact CZ-CG2 4.28Å; F339-D356 HydrophobicContact CZ-CB 4.25Å; F339-D356 WeakPolarHBondContact CZ-OD1 3.45Å; F339-Y360 HydrophobicContact CE1-CE1 4.11Å
340	H	90.4	Very high	86.5	Confident	45 Å²	45	61 Å²	61	21%	0.208	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.5	176.8	-59.8	-83.2	0	0	0	110.5	V348	H340-V348 HydrophobicContact CB-CB 4.32Å; H340-V348 PolarHBondContact N-O 2.96Å; H340-V348 PolarHBondContact O-N 3.09Å
341	V	90.6	Very high	86.6	Confident	15 Å²	15	63.5 Å²	63.5	9%	0.091	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.4	174.1	177.8	0	0	0	0	109	W322 L330 P332 S346 L347	W322-V341 HydrophobicContact CB-CG2 4.24Å; W322-V341 HydrophobicContact CG-CG2 4.33Å; L330-V341 HydrophobicContact CB-CG2 3.71Å; P332-V341 HydrophobicContact CG-CG1 4.15Å; V341-S346 WeakPolarHBondContact CA-O 3.42Å; V341-L347 HydrophobicContact CG2-CD1 3.68Å
342	F	88.7	Confident	86.7	Confident	99 Å²	99	59.8 Å²	59.8	43%	0.434	30%	0.295	S	S	.	.			trans	-88.6	150.5	175	-73.3	-87	0	0	0	111.1	N344 G345 S346 V348	F342-N344 WeakPolarHBondContact CB-OD1 3.27Å; F342-N344 PolarHBondContact O-N 2.96Å; F342-G345 WeakPolarHBondContact O-CA 3.15Å; F342-G345 PolarHBondContact O-N 3Å; F342-S346 PolarHBondContact N-O 3.32Å; F342-V348 HydrophobicContact CD2-CG2 3.97Å; F342-V348 HydrophobicContact CE2-CB 4.31Å; F342-V348 HydrophobicContact CE2-CG2 3.56Å
343	H	85.3	Confident	87	Confident	123 Å²	123	65.1 Å²	65.1	57%	0.569	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.9	172	-72.1	99	0	0	0	114.6	D333 G345	D333-H343 IonicContact OD1-CE1 2.6Å; D333-H343 PolarHBondContact OD1-CE1 2.99Å; D333-H343 IonicContact OD1-ND1 3.22Å; D333-H343 IonicContact OD1-NE2 2.65Å; D333-H343 IonicContact OD2-CE1 2.76Å; D333-H343 PolarHBondContact OD2-CE1 3.32Å; D333-H343 IonicContact OD2-NE2 2.77Å; D333-H343 PolarHBondContact OD2-NE2 3.37Å; H343-G345 PolarHBondContact O-N 2.82Å
344	N	85.4	Confident	87.4	Confident	106 Å²	106	64.9 Å²	64.9	57%	0.567	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	2.7	173.9	71.5	2.6	0	0	0	113.2	F342 S346	F342-N344 WeakPolarHBondContact CB-OD1 3.27Å; F342-N344 PolarHBondContact O-N 2.96Å; N344-S346 VanDerWaalsContact CG-OG 3.3Å; N344-S346 PolarHBondContact ND2-OG 3.43Å; N344-S346 WeakPolarHBondContact OD1-CB 3.27Å; N344-S346 PolarHBondContact OD1-N 3.17Å; N344-S346 PolarHBondContact OD1-OG 3.42Å
345	G	87.1	Confident	87.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	87.4	2.2	-179.4	0	0	0	0	0	115.4	C309 W322 F342 H343	C309-G345 WeakPolarHBondContact CB-O 3.45Å; C309-G345 PolarHBondContact N-O 2.61Å; W322-G345 PolarHBondContact NE1-O 3.06Å; F342-G345 WeakPolarHBondContact O-CA 3.15Å; F342-G345 PolarHBondContact O-N 3Å; H343-G345 PolarHBondContact O-N 2.82Å
346	S	90.8	Very high	88.8	Confident	4 Å²	4	59.9 Å²	59.9	3%	0.028	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	127.5	-179.6	-46.3	0	0	0	0	111	V307 H308 V341 F342 N344	V307-S346 CarbonylContact O-C 3.48Å; V307-S346 WeakPolarHBondContact O-CA 3.28Å; H308-S346 PolarHBondContact CE1-OG 3.4Å; H308-S346 PolarHBondContact ND1-OG 3.03Å; V341-S346 WeakPolarHBondContact CA-O 3.42Å; F342-S346 PolarHBondContact N-O 3.32Å; N344-S346 VanDerWaalsContact CG-OG 3.3Å; N344-S346 PolarHBondContact ND2-OG 3.43Å; N344-S346 WeakPolarHBondContact OD1-CB 3.27Å; N344-S346 PolarHBondContact OD1-N 3.17Å; N344-S346 PolarHBondContact OD1-OG 3.42Å
347	L	92.8	Very high	89.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.7	167	175	65.5	0	0	0	109.1	V307 W322 L330 F339 V341 I349 Y360	V307-L347 HydrophobicContact CB-CB 4.49Å; V307-L347 PolarHBondContact N-O 3.38Å; V307-L347 PolarHBondContact O-N 3.45Å; W322-L347 HydrophobicContact CD2-CB 3.85Å; W322-L347 HydrophobicContact CD2-CD2 3.95Å; W322-L347 HydrophobicContact CD2-CG 4.43Å; W322-L347 HydrophobicContact CE3-CB 4.43Å; W322-L347 HydrophobicContact CE3-CD2 3.84Å; W322-L347 HydrophobicContact CG-CB 4.12Å; W322-L347 HydrophobicContact CG-CD2 4.36Å; W322-L347 HydrophobicContact CZ2-CB 3.93Å; W322-L347 HydrophobicContact CZ3-CD2 4.23Å; L330-L347 HydrophobicContact CD1-CD1 3.75Å; F339-L347 HydrophobicContact CD1-CD1 4.3Å; V341-L347 HydrophobicContact CG2-CD1 3.68Å; L347-I349 HydrophobicContact CG-CG1 4.43Å; L347-Y360 HydrophobicContact CD2-CD1 3.73Å; L347-Y360 HydrophobicContact CD2-CE1 4.08Å; L347-Y360 HydrophobicContact CD2-CG 4.44Å
348	V	93.1	Very high	90.2	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.9	172.5	173.8	0	0	0	0	109.1	R304 L305 I306 F339 H340 F342 E350	R304-V348 HydrophobicContact CG-CG1 4.18Å; R304-V348 VanDerWaalsContact CZ-CG1 3.46Å; R304-V348 VanDerWaalsContact NH2-CG1 3.32Å; L305-V348 WeakPolarHBondContact O-CA 3.31Å; I306-V348 HydrophobicContact CB-CG2 4.48Å; I306-V348 HydrophobicContact CG1-CG2 4.13Å; I306-V348 HydrophobicContact CG2-CG2 4.13Å; F339-V348 WeakPolarHBondContact CA-O 3.34Å; H340-V348 HydrophobicContact CB-CB 4.32Å; H340-V348 PolarHBondContact N-O 2.96Å; H340-V348 PolarHBondContact O-N 3.09Å; F342-V348 HydrophobicContact CD2-CG2 3.97Å; F342-V348 HydrophobicContact CE2-CB 4.31Å; F342-V348 HydrophobicContact CE2-CG2 3.56Å; V348-E350 HydrophobicContact CG1-CG 4.36Å; V348-E350 WeakPolarHBondContact CG1-OE1 3.34Å
349	I	93	Very high	90.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.6	169.8	-49.2	-179.2	0	0	0	106.4	R304 L305 N338 F339 L347 P352 I379	R304-I349 WeakPolarHBondContact CA-O 3.37Å; L305-I349 HydrophobicContact CB-CB 4.41Å; L305-I349 HydrophobicContact CD2-CD1 4.23Å; L305-I349 PolarHBondContact N-O 3.19Å; L305-I349 PolarHBondContact O-N 3.05Å; N338-I349 WeakPolarHBondContact O-CA 3.28Å; F339-I349 HydrophobicContact CD1-CD1 4.39Å; F339-I349 HydrophobicContact CD1-CG1 3.88Å; F339-I349 HydrophobicContact CD1-CG2 4.48Å; F339-I349 HydrophobicContact CE1-CB 4.45Å; F339-I349 HydrophobicContact CE1-CD1 3.79Å; F339-I349 HydrophobicContact CE1-CG1 3.74Å; F339-I349 HydrophobicContact CE1-CG2 4.04Å; F339-I349 HydrophobicContact CZ-CG2 4.28Å; L347-I349 HydrophobicContact CG-CG1 4.43Å; I349-P352 HydrophobicContact CB-CG 4.2Å; I349-P352 HydrophobicContact CG2-CB 4.08Å; I349-P352 HydrophobicContact CG2-CG 3.82Å; I349-I379 HydrophobicContact CD1-CD1 3.76Å
350	E	91.5	Very high	90.6	Very high	72 Å²	72	53 Å²	53	34%	0.336	27%	0.267	S	S	.	.	S	Bend	trans	-70.8	-42	-173	-74	-65.3	155.8	0	0	111.9	R304 N338 V348	R304-E350 WeakPolarHBondContact CA-O 3.24Å; R304-E350 VanDerWaalsContact CD-OE2 3.23Å; R304-E350 WeakPolarHBondContact CD-OE2 3.43Å; R304-E350 IonicContact CZ-OE1 3.05Å; R304-E350 IonicContact NE-OE1 3.71Å; R304-E350 PolarHBondContact NE-OE1 3.16Å; R304-E350 IonicContact NE-OE2 2.98Å; R304-E350 PolarHBondContact NE-OE2 2.95Å; R304-E350 IonicContact NH2-OE1 3.9Å; R304-E350 PolarHBondContact NH2-OE1 3.2Å; N338-E350 PolarHBondContact O-N 3.23Å; N338-E350 VanDerWaalsContact O-N 3.08Å; V348-E350 HydrophobicContact CG1-CG 4.36Å; V348-E350 WeakPolarHBondContact CG1-OE1 3.34Å
351	S	91.3	Very high	90.7	Very high	56 Å²	56	52 Å²	52	39%	0.392	27%	0.265	S	S	.	.	S	Bend	trans	-139.7	85.9	179.9	-161.8	0	0	0	0	110.5	G302 N338	G302-S351 WeakPolarHBondContact CA-OG 3.11Å; N338-S351 PolarHBondContact ND2-O 2.99Å; N338-S351 WeakPolarHBondContact OD1-CA 3.49Å; N338-S351 PolarHBondContact OD1-N 3.37Å; N338-S351 PolarHBondContact OD1-O 2.89Å
352	P	91.6	Very high	90.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.			trans	-63.9	136.2	-176.8	-19.8	31.1	0	0	0	112.1	A299 V301 G302 E303 L305 I349 V381	A299-P352 HydrophobicContact CB-CB 4.3Å; A299-P352 HydrophobicContact CB-CG 4.16Å; V301-P352 WeakPolarHBondContact CA-O 3.02Å; G302-P352 PolarHBondContact N-O 3.26Å; G302-P352 VanDerWaalsContact N-O 3.13Å; E303-P352 WeakPolarHBondContact O-CD 3.28Å; E303-P352 WeakPolarHBondContact O-CG 3.15Å; L305-P352 HydrophobicContact CB-CG 4.13Å; I349-P352 HydrophobicContact CB-CG 4.2Å; I349-P352 HydrophobicContact CG2-CB 4.08Å; I349-P352 HydrophobicContact CG2-CG 3.82Å; P352-V381 HydrophobicContact CB-CG1 4.22Å; P352-V381 HydrophobicContact CB-CG2 4.04Å
353	R	91.3	Very high	90.8	Very high	146 Å²	146	48.3 Å²	48.3	55%	0.551	25%	0.249	S	C	*	.			trans	-112.3	166.3	174.6	-55.7	-179.9	-168.1	179.6	4.5	110.8	E355 D356 V381	R353-E355 PolarHBondContact O-N 3.09Å; R353-D356 WeakPolarHBondContact CB-OD2 3.1Å; R353-D356 PolarHBondContact N-OD2 2.8Å; R353-D356 WeakPolarHBondContact O-CB 3.21Å; R353-D356 PolarHBondContact O-N 3.1Å; R353-V381 WeakPolarHBondContact O-CG2 3.5Å
354	F	89.2	Confident	91	Very high	124 Å²	124	42.4 Å²	42.4	54%	0.544	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-60.1	-30	174.7	-74.1	-70.4	0	0	0	113.3	V301 D356 A357 N383	V301-F354 HydrophobicContact CG2-CD2 4.13Å; V301-F354 HydrophobicContact CG2-CE1 4.4Å; V301-F354 HydrophobicContact CG2-CE2 3.78Å; V301-F354 HydrophobicContact CG2-CZ 3.96Å; F354-D356 VanDerWaalsContact C-N 3.27Å; F354-D356 PolarHBondContact O-N 2.93Å; F354-A357 WeakPolarHBondContact O-CB 3.42Å; F354-A357 PolarHBondContact O-N 2.88Å; F354-N383 HydrophobicContact CE1-CB 4.44Å; F354-N383 HydrophobicContact CE2-CB 4.1Å; F354-N383 HydrophobicContact CZ-CB 3.48Å; F354-N383 VanDerWaalsContact CZ-CB 3.48Å
355	E	89	Confident	90.9	Very high	165 Å²	165	41.6 Å²	41.6	77%	0.771	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-71.6	-22.6	176.1	-64.2	168.6	-169.9	0	0	112.7	R353 A357	R353-E355 PolarHBondContact O-N 3.09Å; E355-A357 PolarHBondContact O-N 2.97Å
356	D	89.3	Confident	90.5	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.107	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-81.9	-1.6	177.3	-55.8	-41.4	0	0	0	111.7	N338 F339 R353 F354 Y360	N338-D356 PolarHBondContact ND2-OD2 2.98Å; F339-D356 HydrophobicContact CZ-CB 4.25Å; F339-D356 WeakPolarHBondContact CZ-OD1 3.45Å; R353-D356 WeakPolarHBondContact CB-OD2 3.1Å; R353-D356 PolarHBondContact N-OD2 2.8Å; R353-D356 WeakPolarHBondContact O-CB 3.21Å; R353-D356 PolarHBondContact O-N 3.1Å; F354-D356 VanDerWaalsContact C-N 3.27Å; F354-D356 PolarHBondContact O-N 2.93Å; D356-Y360 VanDerWaalsContact O-CE2 3.3Å; D356-Y360 WeakPolarHBondContact O-CE2 3.27Å; D356-Y360 PolarHBondContact O-OH 2.87Å
357	A	91.9	Very high	89.5	Confident	40 Å²	40	48.2 Å²	48.2	33%	0.331	24%	0.244	S	C	.	.			trans	-74.9	133.5	175.6	0	0	0	0	0	110.7	F354 E355 I379 V381	F354-A357 WeakPolarHBondContact O-CB 3.42Å; F354-A357 PolarHBondContact O-N 2.88Å; E355-A357 PolarHBondContact O-N 2.97Å; A357-I379 WeakPolarHBondContact CA-O 3.45Å; A357-V381 HydrophobicContact CB-CB 4.32Å; A357-V381 HydrophobicContact CB-CG2 4.2Å
358	G	92.9	Very high	88.4	Confident	20 Å²	20	54.9 Å²	54.9	21%	0.206	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.2	-167	-179.4	0	0	0	0	0	113.8	I379	G358-I379 PolarHBondContact N-O 3.28Å; G358-I379 PolarHBondContact O-N 3.17Å
359	V	92.9	Very high	87.1	Confident	74 Å²	74	63.3 Å²	63.3	45%	0.448	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.4	177.3	-177.4	0	0	0	0	108.8	P325 D376 V377	P325-V359 WeakPolarHBondContact CA-O 3.38Å; V359-D376 HydrophobicContact CG1-CB 4.1Å; V359-V377 WeakPolarHBondContact CA-O 3.4Å
360	Y	94.3	Very high	85.8	Confident	1 Å²	1	70.8 Å²	70.8	0%	0.004	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.5	173.2	-72.9	-104.5	0	0	0	108.8	M323 P325 F339 L347 D356 D376 V377 I379	M323-Y360 CarbonylContact O-C 3.01Å; M323-Y360 WeakPolarHBondContact O-CA 3.04Å; P325-Y360 VanDerWaalsContact CD-CZ 3.45Å; P325-Y360 HydrophobicContact CG-CE2 4.09Å; F339-Y360 HydrophobicContact CE1-CE1 4.11Å; L347-Y360 HydrophobicContact CD2-CD1 3.73Å; L347-Y360 HydrophobicContact CD2-CE1 4.08Å; L347-Y360 HydrophobicContact CD2-CG 4.44Å; D356-Y360 VanDerWaalsContact O-CE2 3.3Å; D356-Y360 WeakPolarHBondContact O-CE2 3.27Å; D356-Y360 PolarHBondContact O-OH 2.87Å; Y360-D376 CarbonylContact O-C 3.16Å; Y360-D376 WeakPolarHBondContact O-CA 3.16Å; Y360-V377 PolarHBondContact N-O 3.25Å; Y360-V377 PolarHBondContact O-N 2.84Å; Y360-I379 HydrophobicContact CD2-CB 4.16Å; Y360-I379 HydrophobicContact CD2-CD1 3.49Å; Y360-I379 VanDerWaalsContact CD2-CD1 3.49Å; Y360-I379 HydrophobicContact CD2-CG1 3.75Å; Y360-I379 HydrophobicContact CE2-CB 4.08Å; Y360-I379 HydrophobicContact CE2-CD1 3.61Å; Y360-I379 HydrophobicContact CE2-CG1 4.05Å; Y360-I379 HydrophobicContact CG-CD1 4.01Å
361	S	92.9	Very high	84.7	Confident	26 Å²	26	72.1 Å²	72.1	18%	0.182	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.8	179.6	-52.9	0	0	0	0	109.7	W322 M323 D376	W322-S361 CarbonylContact C-O 3.58Å; M323-S361 PolarHBondContact N-O 3.16Å; M323-S361 PolarHBondContact O-N 3.33Å; S361-D376 WeakPolarHBondContact CB-OD1 3.2Å; S361-D376 PolarHBondContact OG-OD1 2.78Å
362	C	92.2	Very high	84.1	Confident	0 Å²	0	75 Å²	75	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.8	169.6	175.6	0	0	0	0	110.1	C309 W322 T374 V375	C309-C362 HydrophobicContact CB-CB 3.78Å; C309-C362 WeakPolarHBondContact CB-SG 3.31Å; C309-C362 WeakPolarHBondContact SG-CB 2.94Å; C309-C362 CovalentContact SG-SG 2.01Å; C309-C362 PolarHBondContact SG-SG 2.99Å; W322-C362 HydrophobicContact CD2-CB 3.87Å; W322-C362 HydrophobicContact CE3-CB 3.95Å; W322-C362 HydrophobicContact CH2-CB 3.81Å; W322-C362 HydrophobicContact CZ2-CB 3.72Å; W322-C362 HydrophobicContact CZ3-CB 3.91Å; C362-T374 CarbonylContact O-C 3.58Å; C362-T374 VanDerWaalsContact O-CA 3.3Å; C362-T374 WeakPolarHBondContact O-CA 3.25Å; C362-V375 HydrophobicContact CB-CB 4.34Å; C362-V375 PolarHBondContact N-O 3.13Å; C362-V375 PolarHBondContact O-N 2.86Å
363	I	89.3	Confident	83.7	Confident	35 Å²	35	75.8 Å²	75.8	18%	0.179	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	108.9	175.6	-53.8	171.1	0	0	0	107.5	I321 M323 M365 N372 T374	I321-I363 PolarHBondContact N-O 3.13Å; I321-I363 PolarHBondContact O-N 2.94Å; M323-I363 HydrophobicContact CE-CD1 4.38Å; I363-M365 HydrophobicContact CG2-CG 4.01Å; I363-N372 HydrophobicContact CG2-CB 4.37Å; I363-T374 HydrophobicContact CG1-CG2 4.18Å
364	A	88.6	Confident	83.5	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.6	174.2	0	0	0	0	0	109.4	S311 T318 D319 F320 N372 E373	S311-A364 WeakPolarHBondContact OG-CB 3.04Å; T318-A364 HydrophobicContact CG2-CB 3.9Å; D319-A364 WeakPolarHBondContact O-CA 3.4Å; F320-A364 HydrophobicContact CD1-CB 3.82Å; F320-A364 HydrophobicContact CE1-CB 3.71Å; A364-N372 WeakPolarHBondContact O-CA 2.99Å; A364-E373 PolarHBondContact N-O 2.88Å; A364-E373 PolarHBondContact O-N 3.46Å
365	M	84.3	Confident	83.5	Confident	89 Å²	89	66.6 Å²	66.6	44%	0.438	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.9	-177.4	-61.6	-178	71	0	0	110	T318 D319 I321 I363 K367	T318-M365 WeakPolarHBondContact CA-O 3.08Å; D319-M365 PolarHBondContact N-O 2.78Å; D319-M365 PolarHBondContact O-N 2.67Å; I321-M365 HydrophobicContact CD1-SD 4.02Å; I363-M365 HydrophobicContact CG2-CG 4.01Å; M365-K367 PolarHBondContact O-N 2.77Å
366	N	78.4	Confident	83.5	Confident	10 Å²	10	62 Å²	62	5%	0.053	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	108.3	175.3	-170.7	-52.7	0	0	0	110.1	Q368 R369 L370 L371	N366-Q368 PolarHBondContact O-N 3.2Å; N366-Q368 WeakPolarHBondContact OD1-CB 3.42Å; N366-Q368 PolarHBondContact OD1-N 3.36Å; N366-R369 HydrophobicContact CB-CB 4.47Å; N366-R369 PolarHBondContact O-N 3.37Å; N366-R369 PolarHBondContact OD1-N 3.08Å; N366-R369 VanDerWaalsContact OD1-N 3.13Å; N366-L370 WeakPolarHBondContact O-CA 3.46Å; N366-L370 PolarHBondContact O-N 2.03Å; N366-L371 PolarHBondContact N-O 2.85Å
367	K	70.6	Confident	83.6	Confident	132 Å²	132	61.2 Å²	61.2	57%	0.574	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.5	-179.2	-76.7	174.2	163.2	145.4	0	114.3	N317 D319 M365	N317-K367 PolarHBondContact O-N 2.86Å; D319-K367 VanDerWaalsContact CG-CE 3.49Å; D319-K367 WeakPolarHBondContact OD1-CE 3.4Å; D319-K367 IonicContact OD1-NZ 3.75Å; D319-K367 PolarHBondContact OD1-NZ 2.03Å; D319-K367 WeakPolarHBondContact OD2-CE 3.33Å; D319-K367 IonicContact OD2-NZ 3.63Å; D319-K367 PolarHBondContact OD2-NZ 3.09Å; M365-K367 PolarHBondContact O-N 2.77Å
368	Q	69.3	Low	83.6	Confident	141 Å²	141	61 Å²	61	66%	0.659	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-34.5	-177.2	-67	-177.5	-27	0	0	112.9	N317 N366	N317-Q368 PolarHBondContact ND2-NE2 3.21Å; N366-Q368 PolarHBondContact O-N 3.2Å; N366-Q368 WeakPolarHBondContact OD1-CB 3.42Å; N366-Q368 PolarHBondContact OD1-N 3.36Å
369	R	64.8	Low	83.6	Confident	178 Å²	178	60 Å²	60	67%	0.672	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-9	-176.2	-64.2	-170.7	176.2	-168.1	-3.3	113.4	N366 L371	N366-R369 HydrophobicContact CB-CB 4.47Å; N366-R369 PolarHBondContact O-N 3.37Å; N366-R369 PolarHBondContact OD1-N 3.08Å; N366-R369 VanDerWaalsContact OD1-N 3.13Å; R369-L371 HydrophobicContact CB-CB 4.35Å; R369-L371 HydrophobicContact CB-CD1 3.94Å; R369-L371 HydrophobicContact CB-CG 4.08Å; R369-L371 PolarHBondContact O-N 3.41Å; R369-L371 VanDerWaalsContact O-N 3.1Å
370	L	66.8	Low	83.5	Confident	157 Å²	157	59.7 Å²	59.7	82%	0.822	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	28.5	-173.5	-59	171.9	0	0	0	112.5	N366	N366-L370 WeakPolarHBondContact O-CA 3.46Å; N366-L370 PolarHBondContact O-N 2.03Å
371	L	67.1	Low	83.3	Confident	100 Å²	100	60.4 Å²	60.4	52%	0.524	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.6	177.3	-69.7	170.2	0	0	0	108.4	N366 R369	N366-L371 PolarHBondContact N-O 2.85Å; R369-L371 HydrophobicContact CB-CB 4.35Å; R369-L371 HydrophobicContact CB-CD1 3.94Å; R369-L371 HydrophobicContact CB-CG 4.08Å; R369-L371 PolarHBondContact O-N 3.41Å; R369-L371 VanDerWaalsContact O-N 3.1Å
372	N	79.5	Confident	83.1	Confident	117 Å²	117	61.6 Å²	61.6	63%	0.626	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	135	168.5	56.8	-6	0	0	0	109.8	I363 A364	I363-N372 HydrophobicContact CG2-CB 4.37Å; A364-N372 WeakPolarHBondContact O-CA 2.99Å
373	E	83.1	Confident	82.6	Confident	16 Å²	16	64.9 Å²	64.9	8%	0.075	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.9	165.5	-177.4	-172.2	-166.2	0	0	108	R245 S311 K312 T313 A364 V375	R245-E373 IonicContact CZ-OE1 3.85Å; R245-E373 IonicContact NE-OE1 3.57Å; R245-E373 IonicContact NH2-OE1 2.86Å; R245-E373 PolarHBondContact NH2-OE1 3.16Å; S311-E373 WeakPolarHBondContact CA-OE2 3.5Å; S311-E373 WeakPolarHBondContact CB-OE2 3.23Å; S311-E373 PolarHBondContact OG-OE2 2.99Å; K312-E373 WeakPolarHBondContact CB-OE1 3.46Å; K312-E373 VanDerWaalsContact CD-OE1 3.25Å; K312-E373 WeakPolarHBondContact CD-OE1 3.43Å; K312-E373 WeakPolarHBondContact CG-OE1 2.98Å; K312-E373 WeakPolarHBondContact CG-OE2 3.43Å; K312-E373 PolarHBondContact N-OE1 3.12Å; K312-E373 PolarHBondContact N-OE2 3.08Å; T313-E373 PolarHBondContact N-OE2 2.91Å; A364-E373 PolarHBondContact N-O 2.88Å; A364-E373 PolarHBondContact O-N 3.46Å; E373-V375 HydrophobicContact CG-CG2 4.24Å
374	T	87.8	Confident	81.2	Confident	74 Å²	74	68.6 Å²	68.6	45%	0.454	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.2	172.5	-49.8	0	0	0	0	109.5	C362 I363	C362-T374 CarbonylContact O-C 3.58Å; C362-T374 VanDerWaalsContact O-CA 3.3Å; C362-T374 WeakPolarHBondContact O-CA 3.25Å; I363-T374 HydrophobicContact CG1-CG2 4.18Å
375	V	88.1	Confident	79.7	Confident	4 Å²	4	73.5 Å²	73.5	2%	0.024	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	109.6	177.8	178.8	0	0	0	0	108	R245 C362 E373 V377	R245-V375 VanDerWaalsContact NH2-CG2 3.31Å; C362-V375 HydrophobicContact CB-CB 4.34Å; C362-V375 PolarHBondContact N-O 3.13Å; C362-V375 PolarHBondContact O-N 2.86Å; E373-V375 HydrophobicContact CG-CG2 4.24Å; V375-V377 HydrophobicContact CG1-CG1 4.38Å
376	D	89.4	Confident	78.2	Confident	68 Å²	68	74.8 Å²	74.8	36%	0.364	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	138.9	175.1	-60.3	-35.9	0	0	0	110.3	F295 V359 Y360 S361	F295-D376 WeakPolarHBondContact CD2-O 3.21Å; F295-D376 WeakPolarHBondContact CE2-O 3.39Å; F295-D376 HydrophobicContact CZ-CB 4.32Å; F295-D376 WeakPolarHBondContact CZ-O 3.29Å; V359-D376 HydrophobicContact CG1-CB 4.1Å; Y360-D376 CarbonylContact O-C 3.16Å; Y360-D376 WeakPolarHBondContact O-CA 3.16Å; S361-D376 WeakPolarHBondContact CB-OD1 3.2Å; S361-D376 PolarHBondContact OG-OD1 2.78Å
377	V	91.2	Very high	76.6	Confident	4 Å²	4	76.5 Å²	76.5	2%	0.024	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.2	173.6	-62.4	0	0	0	0	108.9	F295 V307 W322 V359 Y360 V375	F295-V377 WeakPolarHBondContact O-CA 3.15Å; V307-V377 HydrophobicContact CG1-CG2 3.99Å; W322-V377 HydrophobicContact CH2-CG2 3.73Å; W322-V377 HydrophobicContact CZ3-CG2 3.52Å; V359-V377 WeakPolarHBondContact CA-O 3.4Å; Y360-V377 PolarHBondContact N-O 3.25Å; Y360-V377 PolarHBondContact O-N 2.84Å; V375-V377 HydrophobicContact CG1-CG1 4.38Å
378	T	91.4	Very high	75.4	Confident	35 Å²	35	77.9 Å²	77.9	22%	0.215	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.3	178.1	-53.5	0	0	0	0	109.3	F295 I296 H297	F295-T378 PolarHBondContact O-N 3.33Å; I296-T378 CarbonylContact C-O 3.58Å; I296-T378 WeakPolarHBondContact CA-O 3.25Å; H297-T378 PolarHBondContact N-O 3.36Å
379	I	93.1	Very high	74.4	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.7	175.5	-56.8	-177	0	0	0	108.4	H297 L305 V307 I349 A357 G358 Y360 V381	H297-I379 HydrophobicContact CB-CG1 4.47Å; L305-I379 HydrophobicContact CD2-CD1 3.96Å; L305-I379 HydrophobicContact CD2-CG1 4.4Å; L305-I379 HydrophobicContact CD2-CG2 3.68Å; V307-I379 HydrophobicContact CG2-CD1 3.93Å; I349-I379 HydrophobicContact CD1-CD1 3.76Å; A357-I379 WeakPolarHBondContact CA-O 3.45Å; G358-I379 PolarHBondContact N-O 3.28Å; G358-I379 PolarHBondContact O-N 3.17Å; Y360-I379 HydrophobicContact CD2-CB 4.16Å; Y360-I379 HydrophobicContact CD2-CD1 3.49Å; Y360-I379 VanDerWaalsContact CD2-CD1 3.49Å; Y360-I379 HydrophobicContact CD2-CG1 3.75Å; Y360-I379 HydrophobicContact CE2-CB 4.08Å; Y360-I379 HydrophobicContact CE2-CD1 3.61Å; Y360-I379 HydrophobicContact CE2-CG1 4.05Å; Y360-I379 HydrophobicContact CG-CD1 4.01Å; I379-V381 HydrophobicContact CG2-CG2 4.22Å
380	N	91.9	Very high	73.6	Confident	67 Å²	67	72.6 Å²	72.6	36%	0.358	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.9	174.2	-73.3	-5.7	0	0	0	109.3	H297 E298 A299	H297-N380 PolarHBondContact O-N 3.26Å; E298-N380 WeakPolarHBondContact CA-O 3.46Å; A299-N380 PolarHBondContact N-O 2.94Å
381	V	90.4	Very high	72.8	Confident	15 Å²	15	67.7 Å²	67.7	9%	0.091	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.1	176.6	-173.5	0	0	0	0	109.2	A299 V301 P352 R353 A357 I379	A299-V381 HydrophobicContact CB-CG2 4.45Å; A299-V381 WeakPolarHBondContact O-CA 3.32Å; V301-V381 HydrophobicContact CG2-CG1 3.75Å; P352-V381 HydrophobicContact CB-CG1 4.22Å; P352-V381 HydrophobicContact CB-CG2 4.04Å; R353-V381 WeakPolarHBondContact O-CG2 3.5Å; A357-V381 HydrophobicContact CB-CB 4.32Å; A357-V381 HydrophobicContact CB-CG2 4.2Å; I379-V381 HydrophobicContact CG2-CG2 4.22Å
382	S	87.4	Confident	71.9	Confident	51 Å²	51	67.4 Å²	67.4	36%	0.357	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.6	179.7	67.9	0	0	0	0	111.4	A299 Q300 V301	A299-S382 PolarHBondContact O-N 3.29Å; Q300-S382 WeakPolarHBondContact CA-O 3.42Å; V301-S382 PolarHBondContact N-O 2.97Å
383	N	81.9	Confident	70.6	Confident	70 Å²	70	67.7 Å²	67.7	37%	0.374	37%	0.365	S	S	.	.			trans	-103.5	96.7	173.7	-174.9	2.3	0	0	0	109.9	V301 F354 T385	V301-N383 HydrophobicContact CG2-CB 4.17Å; F354-N383 HydrophobicContact CE1-CB 4.44Å; F354-N383 HydrophobicContact CE2-CB 4.1Å; F354-N383 HydrophobicContact CZ-CB 3.48Å; F354-N383 VanDerWaalsContact CZ-CB 3.48Å; N383-T385 PolarHBondContact ND2-OG1 3.31Å; N383-T385 PolarHBondContact O-N 2.92Å; N383-T385 WeakPolarHBondContact OD1-CB 3.37Å; N383-T385 PolarHBondContact OD1-N 3.37Å; N383-T385 PolarHBondContact OD1-OG1 3.46Å
384	F	60.3	Low	69.1	Low	112 Å²	112	69.6 Å²	69.6	49%	0.491	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-75.5	-7.3	-177.5	-149.1	-95.6	0	0	0	113.4	V386 S387 R388	F384-V386 PolarHBondContact O-N 3.44Å; F384-V386 VanDerWaalsContact O-N 3.1Å; F384-S387 WeakPolarHBondContact CD1-OG 3.4Å; F384-S387 WeakPolarHBondContact CD2-OG 3.38Å; F384-S387 WeakPolarHBondContact CE1-OG 3.41Å; F384-S387 VanDerWaalsContact CE2-OG 3.26Å; F384-S387 WeakPolarHBondContact CE2-OG 3.33Å; F384-S387 VanDerWaalsContact CG-OG 3.31Å; F384-S387 WeakPolarHBondContact CG-OG 3.48Å; F384-S387 WeakPolarHBondContact CZ-OG 3.47Å; F384-S387 PolarHBondContact O-N 2.85Å; F384-S387 PolarHBondContact O-OG 3.19Å; F384-R388 PolarHBondContact O-N 3.29Å
385	T	56.2	Low	67.5	Low	104 Å²	104	73.7 Å²	73.7	64%	0.638	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-63.8	-16	178.2	61.7	0	0	0	0	113.8	N383	N383-T385 PolarHBondContact ND2-OG1 3.31Å; N383-T385 PolarHBondContact O-N 2.92Å; N383-T385 WeakPolarHBondContact OD1-CB 3.37Å; N383-T385 PolarHBondContact OD1-N 3.37Å; N383-T385 PolarHBondContact OD1-OG1 3.46Å
386	V	52.8	Low	66.1	Low	116 Å²	116	77.9 Å²	77.9	70%	0.703	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-86.3	-24.1	173.9	-178.9	0	0	0	0	113	F384	F384-V386 PolarHBondContact O-N 3.44Å; F384-V386 VanDerWaalsContact O-N 3.1Å
387	S	44.9	Very low	64.8	Low	45 Å²	45	78.7 Å²	78.7	32%	0.315	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-1.4	-178	79.4	0	0	0	0	114.4	F384 S389 H390	F384-S387 WeakPolarHBondContact CD1-OG 3.4Å; F384-S387 WeakPolarHBondContact CD2-OG 3.38Å; F384-S387 WeakPolarHBondContact CE1-OG 3.41Å; F384-S387 VanDerWaalsContact CE2-OG 3.26Å; F384-S387 WeakPolarHBondContact CE2-OG 3.33Å; F384-S387 VanDerWaalsContact CG-OG 3.31Å; F384-S387 WeakPolarHBondContact CG-OG 3.48Å; F384-S387 WeakPolarHBondContact CZ-OG 3.47Å; F384-S387 PolarHBondContact O-N 2.85Å; F384-S387 PolarHBondContact O-OG 3.19Å; S387-S389 PolarHBondContact O-N 3.45Å; S387-H390 PolarHBondContact O-N 3.01Å
388	R	46.7	Very low	63.7	Low	162 Å²	162	81.2 Å²	81.2	61%	0.611	45%	0.446	S	S	*	.	H	α-helix	trans	-63.6	-19.1	177.3	-153.5	176.8	-177.8	171	2.2	112.9	F384 H392	F384-R388 PolarHBondContact O-N 3.29Å; R388-H392 HydrophobicContact CG-CB 4.46Å; R388-H392 WeakPolarHBondContact O-CB 3.15Å; R388-H392 PolarHBondContact O-N 3.22Å
389	S	47.9	Very low	62.9	Low	61 Å²	61	86.8 Å²	86.8	43%	0.427	47%	0.467	S	S	.	.	H	α-helix	trans	-62	-47.3	177.1	56.7	0	0	0	0	112.3	S387 E393	S387-S389 PolarHBondContact O-N 3.45Å; S389-E393 WeakPolarHBondContact O-CB 3.48Å; S389-E393 VanDerWaalsContact O-CG 3.24Å; S389-E393 WeakPolarHBondContact O-CG 3.4Å; S389-E393 PolarHBondContact O-N 2.9Å
390	H	47.4	Very low	62.2	Low	146 Å²	146	90.8 Å²	90.8	68%	0.676	49%	0.492	S	S	*	.	H	α-helix	trans	-80.6	-37.3	-171.5	-73.3	-55.6	0	0	0	114.8	S387 A394	S387-H390 PolarHBondContact O-N 3.01Å; H390-A394 PolarHBondContact O-N 3.3Å
391	A	49.4	Very low	61.7	Low	55 Å²	55	91.7 Å²	91.7	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-79.6	-32.2	-178.8	0	0	0	0	0	112.8	A394 F395	A391-A394 PolarHBondContact O-N 2.6Å; A391-F395 PolarHBondContact O-N 3.14Å; A391-F395 VanDerWaalsContact O-N 3.13Å
392	H	49.6	Very low	61.4	Low	94 Å²	94	96.6 Å²	96.6	44%	0.435	53%	0.525	S	S	.	.	H	α-helix	trans	-77.9	-30.6	178.2	-133.7	31.9	0	0	0	111.7	R388 N396	R388-H392 HydrophobicContact CG-CB 4.46Å; R388-H392 WeakPolarHBondContact O-CB 3.15Å; R388-H392 PolarHBondContact O-N 3.22Å; H392-N396 VanDerWaalsContact O-CB 3.28Å; H392-N396 WeakPolarHBondContact O-CB 3.42Å; H392-N396 PolarHBondContact O-N 3.06Å; H392-N396 PolarHBondContact O-ND2 3.29Å; H392-N396 VanDerWaalsContact O-ND2 3.09Å
393	E	50.9	Low	61.2	Low	123 Å²	123	96.5 Å²	96.5	58%	0.575	53%	0.528	S	S	*	.	H	α-helix	trans	-62.8	-41.1	167.7	-81	177.2	168.8	0	0	112.4	S389 N396 T397	S389-E393 WeakPolarHBondContact O-CB 3.48Å; S389-E393 VanDerWaalsContact O-CG 3.24Å; S389-E393 WeakPolarHBondContact O-CG 3.4Å; S389-E393 PolarHBondContact O-N 2.9Å; E393-N396 PolarHBondContact O-N 2.87Å; E393-T397 WeakPolarHBondContact O-CB 3.37Å; E393-T397 WeakPolarHBondContact O-CG2 3.47Å; E393-T397 PolarHBondContact O-N 3.46Å; E393-T397 PolarHBondContact O-OG1 3.13Å
394	A	53	Low	61.3	Low	56 Å²	56	95.8 Å²	95.8	46%	0.463	53%	0.531	S	S	.	.	H	α-helix	trans	-67.7	-40.1	178.3	0	0	0	0	0	113.2	H390 A391 T397 A398	H390-A394 PolarHBondContact O-N 3.3Å; A391-A394 PolarHBondContact O-N 2.6Å; A394-T397 WeakPolarHBondContact CA-OG1 3.27Å; A394-T397 PolarHBondContact O-OG1 3.05Å; A394-A398 PolarHBondContact O-N 2.85Å
395	F	53.8	Low	62.7	Low	160 Å²	160	94.2 Å²	94.2	70%	0.702	53%	0.533	S	S	*	.	H	α-helix	trans	-69.9	-37.1	175.7	-101.7	-88.7	0	0	0	112.6	A391 A398 F399	A391-F395 PolarHBondContact O-N 3.14Å; A391-F395 VanDerWaalsContact O-N 3.13Å; F395-A398 PolarHBondContact O-N 3.1Å; F395-F399 PolarHBondContact O-N 3.22Å; F395-F399 VanDerWaalsContact O-N 3.12Å
396	N	58.3	Low	64.4	Low	91 Å²	91	93.2 Å²	93.2	49%	0.487	53%	0.527	S	S	.	.	H	α-helix	trans	-70.6	-33.9	177.3	-72.7	-24.8	0	0	0	112.3	H392 E393 T400	H392-N396 VanDerWaalsContact O-CB 3.28Å; H392-N396 WeakPolarHBondContact O-CB 3.42Å; H392-N396 PolarHBondContact O-N 3.06Å; H392-N396 PolarHBondContact O-ND2 3.29Å; H392-N396 VanDerWaalsContact O-ND2 3.09Å; E393-N396 PolarHBondContact O-N 2.87Å; N396-T400 WeakPolarHBondContact O-CB 3.45Å; N396-T400 WeakPolarHBondContact O-CG2 3.41Å; N396-T400 PolarHBondContact O-N 3.26Å; N396-T400 PolarHBondContact O-OG1 3.1Å
397	T	62.6	Low	66.1	Low	85 Å²	85	90.2 Å²	90.2	52%	0.521	51%	0.514	S	S	.	.	H	α-helix	trans	-69.5	-37.3	174.6	42.3	0	0	0	0	112.5	E393 A394 T400 T401	E393-T397 WeakPolarHBondContact O-CB 3.37Å; E393-T397 WeakPolarHBondContact O-CG2 3.47Å; E393-T397 PolarHBondContact O-N 3.46Å; E393-T397 PolarHBondContact O-OG1 3.13Å; A394-T397 WeakPolarHBondContact CA-OG1 3.27Å; A394-T397 PolarHBondContact O-OG1 3.05Å; T397-T400 WeakPolarHBondContact CA-OG1 3.23Å; T397-T400 PolarHBondContact O-OG1 3.26Å; T397-T400 VanDerWaalsContact O-OG1 3.08Å; T397-T401 WeakPolarHBondContact O-CB 3.42Å; T397-T401 VanDerWaalsContact O-CG2 3.23Å; T397-T401 WeakPolarHBondContact O-CG2 3.49Å; T397-T401 PolarHBondContact O-N 2.7Å; T397-T401 VanDerWaalsContact O-N 3.09Å; T397-T401 PolarHBondContact O-OG1 3.23Å
398	A	67.6	Low	68.2	Low	57 Å²	57	91.5 Å²	91.5	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-68.2	-39.5	174.4	0	0	0	0	0	113.1	A394 F395 T401 L402	A394-A398 PolarHBondContact O-N 2.85Å; F395-A398 PolarHBondContact O-N 3.1Å; A398-T401 WeakPolarHBondContact CA-OG1 3.21Å; A398-T401 PolarHBondContact O-OG1 3.47Å; A398-L402 WeakPolarHBondContact O-CB 3.37Å; A398-L402 PolarHBondContact O-N 3.33Å; A398-L402 VanDerWaalsContact O-N 3.11Å
399	F	75.7	Confident	70.3	Confident	152 Å²	152	88.6 Å²	88.6	67%	0.667	52%	0.519	S	S	*	.	H	α-helix	trans	-71.6	-40.7	178.7	-170.2	-94.3	0	0	0	112.3	F395 L402 A403	F395-F399 PolarHBondContact O-N 3.22Å; F395-F399 VanDerWaalsContact O-N 3.12Å; F399-L402 PolarHBondContact O-N 2.97Å; F399-A403 WeakPolarHBondContact O-CB 3.24Å; F399-A403 PolarHBondContact O-N 3.22Å
400	T	77.1	Confident	72.3	Confident	84 Å²	84	89.3 Å²	89.3	52%	0.515	52%	0.52	S	S	.	.	H	α-helix	trans	-66.7	-36.8	177.1	50.2	0	0	0	0	112.3	N396 T397 A404	N396-T400 WeakPolarHBondContact O-CB 3.45Å; N396-T400 WeakPolarHBondContact O-CG2 3.41Å; N396-T400 PolarHBondContact O-N 3.26Å; N396-T400 PolarHBondContact O-OG1 3.1Å; T397-T400 WeakPolarHBondContact CA-OG1 3.23Å; T397-T400 PolarHBondContact O-OG1 3.26Å; T397-T400 VanDerWaalsContact O-OG1 3.08Å; T400-A404 WeakPolarHBondContact O-CB 3.42Å; T400-A404 PolarHBondContact O-N 2.88Å
401	T	81.2	Confident	74.1	Confident	87 Å²	87	88.2 Å²	88.2	53%	0.534	52%	0.519	S	S	.	.	H	α-helix	trans	-68.4	-39.2	174.3	48.5	0	0	0	0	112.7	T397 A398 A404 C405	T397-T401 WeakPolarHBondContact O-CB 3.42Å; T397-T401 VanDerWaalsContact O-CG2 3.23Å; T397-T401 WeakPolarHBondContact O-CG2 3.49Å; T397-T401 PolarHBondContact O-N 2.7Å; T397-T401 VanDerWaalsContact O-N 3.09Å; T397-T401 PolarHBondContact O-OG1 3.23Å; A398-T401 WeakPolarHBondContact CA-OG1 3.21Å; A398-T401 PolarHBondContact O-OG1 3.47Å; T401-A404 PolarHBondContact O-N 3.39Å; T401-C405 PolarHBondContact O-N 2.95Å; T401-C405 PolarHBondContact O-SG 3.46Å; T401-C405 VanDerWaalsContact O-SG 3.41Å
402	L	85	Confident	75.9	Confident	118 Å²	118	89.6 Å²	89.6	62%	0.618	52%	0.522	S	S	*	.	H	α-helix	trans	-65	-45.1	174.3	-162.5	104.7	0	0	0	111.4	A398 F399 A404 C405 V406	A398-L402 WeakPolarHBondContact O-CB 3.37Å; A398-L402 PolarHBondContact O-N 3.33Å; A398-L402 VanDerWaalsContact O-N 3.11Å; F399-L402 PolarHBondContact O-N 2.97Å; L402-A404 PolarHBondContact O-N 3.47Å; L402-C405 PolarHBondContact O-N 3.39Å; L402-V406 WeakPolarHBondContact O-CG2 3.28Å; L402-V406 PolarHBondContact O-N 3.44Å
403	A	83.4	Confident	77.4	Confident	49 Å²	49	89.3 Å²	89.3	41%	0.405	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-41	177.1	0	0	0	0	0	112.1	F399 V406 A407	F399-A403 WeakPolarHBondContact O-CB 3.24Å; F399-A403 PolarHBondContact O-N 3.22Å; A403-V406 PolarHBondContact O-N 3.48Å; A403-A407 WeakPolarHBondContact O-CB 3.38Å; A403-A407 PolarHBondContact O-N 2.99Å
404	A	83.5	Confident	78.9	Confident	54 Å²	54	87.6 Å²	87.6	45%	0.446	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-38.8	175.1	0	0	0	0	0	112.4	T400 T401 L402 S408	T400-A404 WeakPolarHBondContact O-CB 3.42Å; T400-A404 PolarHBondContact O-N 2.88Å; T401-A404 PolarHBondContact O-N 3.39Å; L402-A404 PolarHBondContact O-N 3.47Å; A404-S408 WeakPolarHBondContact O-CB 3.47Å; A404-S408 PolarHBondContact O-N 3.16Å; A404-S408 PolarHBondContact O-OG 2.75Å
405	C	89.6	Confident	80	Confident	79 Å²	79	92.8 Å²	92.8	53%	0.534	53%	0.526	S	S	.	.	H	α-helix	trans	-64	-45.8	174.4	-77.4	0	0	0	0	112	T401 L402 S408 I409	T401-C405 PolarHBondContact O-N 2.95Å; T401-C405 PolarHBondContact O-SG 3.46Å; T401-C405 VanDerWaalsContact O-SG 3.41Å; L402-C405 PolarHBondContact O-N 3.39Å; C405-S408 PolarHBondContact O-N 3.35Å; C405-I409 WeakPolarHBondContact O-CG1 3.48Å; C405-I409 PolarHBondContact O-N 2.72Å
406	V	91.3	Very high	81	Confident	83 Å²	83	90.7 Å²	90.7	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-62.9	-45.3	178.1	173.8	0	0	0	0	110.6	L402 A403 S408 I409 V410	L402-V406 WeakPolarHBondContact O-CG2 3.28Å; L402-V406 PolarHBondContact O-N 3.44Å; A403-V406 PolarHBondContact O-N 3.48Å; V406-S408 VanDerWaalsContact C-N 3.29Å; V406-S408 PolarHBondContact O-N 2.83Å; V406-I409 PolarHBondContact O-N 3.08Å; V406-V410 HydrophobicContact CG1-CG2 4.43Å; V406-V410 VanDerWaalsContact O-CG2 3.27Å; V406-V410 WeakPolarHBondContact O-CG2 3.35Å; V406-V410 PolarHBondContact O-N 3.49Å
407	A	90	Very high	81.6	Confident	53 Å²	53	95.8 Å²	95.8	44%	0.438	54%	0.535	S	S	.	.	H	α-helix	trans	-60.1	-40	176.5	0	0	0	0	0	112	A403 V410 L411	A403-A407 WeakPolarHBondContact O-CB 3.38Å; A403-A407 PolarHBondContact O-N 2.99Å; A407-V410 PolarHBondContact O-N 2.69Å; A407-L411 WeakPolarHBondContact O-CB 3.47Å; A407-L411 PolarHBondContact O-N 3.43Å
408	S	88.7	Confident	81.8	Confident	72 Å²	72	97.4 Å²	97.4	50%	0.503	54%	0.54	S	S	.	.	H	α-helix	trans	-65.9	-43	178	-58.3	0	0	0	0	112.2	A404 C405 V406 L411 V412	A404-S408 WeakPolarHBondContact O-CB 3.47Å; A404-S408 PolarHBondContact O-N 3.16Å; A404-S408 PolarHBondContact O-OG 2.75Å; C405-S408 PolarHBondContact O-N 3.35Å; V406-S408 VanDerWaalsContact C-N 3.29Å; V406-S408 PolarHBondContact O-N 2.83Å; S408-L411 PolarHBondContact O-N 3.47Å; S408-V412 WeakPolarHBondContact O-CG2 3.42Å; S408-V412 PolarHBondContact O-N 2.88Å
409	I	91.3	Very high	81.5	Confident	102 Å²	102	98.1 Å²	98.1	52%	0.523	54%	0.538	S	S	.	.	H	α-helix	trans	-64	-43	176.6	-68.4	167.8	0	0	0	110.5	C405 V406 L411 V412 L413	C405-I409 WeakPolarHBondContact O-CG1 3.48Å; C405-I409 PolarHBondContact O-N 2.72Å; V406-I409 PolarHBondContact O-N 3.08Å; I409-L411 VanDerWaalsContact C-N 3.33Å; I409-L411 PolarHBondContact O-N 2.98Å; I409-V412 PolarHBondContact O-N 3.43Å; I409-L413 HydrophobicContact CG2-CD1 3.89Å; I409-L413 HydrophobicContact CG2-CG 4.42Å; I409-L413 WeakPolarHBondContact O-CB 3.38Å; I409-L413 WeakPolarHBondContact O-CG 3.22Å; I409-L413 PolarHBondContact O-N 3.38Å
410	V	90	Very high	80.5	Confident	75 Å²	75	96.7 Å²	96.7	46%	0.455	54%	0.544	S	S	.	.	H	α-helix	trans	-61.7	-42.3	177	171	0	0	0	0	110.9	V406 A407 L413 L414	V406-V410 HydrophobicContact CG1-CG2 4.43Å; V406-V410 VanDerWaalsContact O-CG2 3.27Å; V406-V410 WeakPolarHBondContact O-CG2 3.35Å; V406-V410 PolarHBondContact O-N 3.49Å; A407-V410 PolarHBondContact O-N 2.69Å; V410-L413 PolarHBondContact O-N 3.17Å; V410-L414 HydrophobicContact CG1-CD1 3.67Å; V410-L414 WeakPolarHBondContact O-CB 3.39Å; V410-L414 WeakPolarHBondContact O-CD1 3.46Å; V410-L414 PolarHBondContact O-N 3.31Å
411	L	84.9	Confident	79.5	Confident	123 Å²	123	97.8 Å²	97.8	64%	0.644	55%	0.554	S	S	*	*	H	α-helix	trans	-63.9	-41.1	176.6	-112.7	146.5	0	0	0	112.8	A407 S408 I409 L414 Y415	A407-L411 WeakPolarHBondContact O-CB 3.47Å; A407-L411 PolarHBondContact O-N 3.43Å; S408-L411 PolarHBondContact O-N 3.47Å; I409-L411 VanDerWaalsContact C-N 3.33Å; I409-L411 PolarHBondContact O-N 2.98Å; L411-L414 PolarHBondContact O-N 3.33Å; L411-Y415 WeakPolarHBondContact O-CB 3.41Å; L411-Y415 PolarHBondContact O-N 3.34Å
412	V	86.8	Confident	78.2	Confident	85 Å²	85	99.9 Å²	99.9	52%	0.515	57%	0.569	S	S	.	*	H	α-helix	trans	-65.8	-42.4	175.9	171.1	0	0	0	0	111.1	S408 I409 Y415 L416	S408-V412 WeakPolarHBondContact O-CG2 3.42Å; S408-V412 PolarHBondContact O-N 2.88Å; I409-V412 PolarHBondContact O-N 3.43Å; V412-Y415 PolarHBondContact O-N 3.3Å; V412-L416 HydrophobicContact CG1-CD1 3.91Å; V412-L416 WeakPolarHBondContact O-CB 3.38Å; V412-L416 WeakPolarHBondContact O-CG 3.44Å; V412-L416 PolarHBondContact O-N 2.79Å
413	L	81.3	Confident	76.4	Confident	88 Å²	88	100 Å²	100	46%	0.461	58%	0.579	S	S	.	*	H	α-helix	trans	-65.3	-42.4	175.9	-72.2	170.2	0	0	0	111.5	I409 V410 Y415 L416 Y417	I409-L413 HydrophobicContact CG2-CD1 3.89Å; I409-L413 HydrophobicContact CG2-CG 4.42Å; I409-L413 WeakPolarHBondContact O-CB 3.38Å; I409-L413 WeakPolarHBondContact O-CG 3.22Å; I409-L413 PolarHBondContact O-N 3.38Å; V410-L413 PolarHBondContact O-N 3.17Å; L413-Y415 VanDerWaalsContact C-N 3.33Å; L413-Y415 PolarHBondContact O-N 3.28Å; L413-L416 PolarHBondContact O-N 3.28Å; L413-Y417 HydrophobicContact CD2-CE2 4.39Å; L413-Y417 WeakPolarHBondContact O-CB 3.44Å; L413-Y417 WeakPolarHBondContact O-CD2 3.46Å; L413-Y417 PolarHBondContact O-N 3.41Å
414	L	81.7	Confident	74.8	Confident	87 Å²	87	107.1 Å²	107.1	46%	0.455	60%	0.601	S	S	.	*	H	α-helix	trans	-58.4	-45.8	172.1	-104	122	0	0	0	111.1	V410 L411 L416 Y417 L418	V410-L414 HydrophobicContact CG1-CD1 3.67Å; V410-L414 WeakPolarHBondContact O-CB 3.39Å; V410-L414 WeakPolarHBondContact O-CD1 3.46Å; V410-L414 PolarHBondContact O-N 3.31Å; L411-L414 PolarHBondContact O-N 3.33Å; L414-L416 PolarHBondContact O-N 2.85Å; L414-Y417 PolarHBondContact O-N 2.8Å; L414-L418 HydrophobicContact CB-CD1 4.27Å; L414-L418 HydrophobicContact CD2-CD1 3.24Å; L414-L418 HydrophobicContact CG-CD1 3.7Å; L414-L418 WeakPolarHBondContact O-CA 3.33Å; L414-L418 WeakPolarHBondContact O-CB 3.42Å; L414-L418 PolarHBondContact O-N 3.16Å
415	Y	77.3	Confident	72.8	Confident	165 Å²	165	111 Å²	111	65%	0.647	62%	0.623	S	S	*	*	H	α-helix	trans	-61.9	-42.6	178.9	-177	-97.7	0	0	0	112.3	L411 V412 L413 T419	L411-Y415 WeakPolarHBondContact O-CB 3.41Å; L411-Y415 PolarHBondContact O-N 3.34Å; V412-Y415 PolarHBondContact O-N 3.3Å; L413-Y415 VanDerWaalsContact C-N 3.33Å; L413-Y415 PolarHBondContact O-N 3.28Å; Y415-T419 HydrophobicContact CD2-CG2 4.08Å; Y415-T419 HydrophobicContact CE2-CG2 4.04Å; Y415-T419 WeakPolarHBondContact O-CG2 2.98Å; Y415-T419 PolarHBondContact O-N 2.91Å; Y415-T419 PolarHBondContact O-OG1 2.89Å
416	L	74.7	Confident	70.5	Confident	116 Å²	116	116.6 Å²	116.6	61%	0.607	64%	0.638	S	S	*	*	H	α-helix	trans	-71.8	-31.5	179.4	-73.4	168.4	0	0	0	113.6	V412 L413 L414	V412-L416 HydrophobicContact CG1-CD1 3.91Å; V412-L416 WeakPolarHBondContact O-CB 3.38Å; V412-L416 WeakPolarHBondContact O-CG 3.44Å; V412-L416 PolarHBondContact O-N 2.79Å; L413-L416 PolarHBondContact O-N 3.28Å; L414-L416 PolarHBondContact O-N 2.85Å
417	Y	69.1	Low	68.2	Low	197 Å²	197	118.5 Å²	118.5	77%	0.773	65%	0.65	S	S	*	*	H	α-helix	trans	-96.8	-22.9	-177	-84.5	-86.1	0	0	0	114.5	L413 L414	L413-Y417 HydrophobicContact CD2-CE2 4.39Å; L413-Y417 WeakPolarHBondContact O-CB 3.44Å; L413-Y417 WeakPolarHBondContact O-CD2 3.46Å; L413-Y417 PolarHBondContact O-N 3.41Å; L414-Y417 PolarHBondContact O-N 2.8Å
418	L	66.9	Low	65.8	Low	120 Å²	120	124.4 Å²	124.4	63%	0.628	67%	0.666	S	S	*	*	H	α-helix	trans	-113.1	5.9	-173.7	-67.2	156.9	0	0	0	114.3	L414 P420	L414-L418 HydrophobicContact CB-CD1 4.27Å; L414-L418 HydrophobicContact CD2-CD1 3.24Å; L414-L418 HydrophobicContact CG-CD1 3.7Å; L414-L418 WeakPolarHBondContact O-CA 3.33Å; L414-L418 WeakPolarHBondContact O-CB 3.42Å; L414-L418 PolarHBondContact O-N 3.16Å; L418-P420 WeakPolarHBondContact O-CD 3.36Å
419	T	61.6	Low	63.3	Low	71 Å²	71	131.9 Å²	131.9	44%	0.436	68%	0.683	S	S	.	*	S	Bend	trans	-92.7	106.4	164.1	51.5	0	0	0	0	109.7	Y415 C421	Y415-T419 HydrophobicContact CD2-CG2 4.08Å; Y415-T419 HydrophobicContact CE2-CG2 4.04Å; Y415-T419 WeakPolarHBondContact O-CG2 2.98Å; Y415-T419 PolarHBondContact O-N 2.91Å; Y415-T419 PolarHBondContact O-OG1 2.89Å; T419-C421 PolarHBondContact O-N 3.18Å
420	P	55.5	Low	60.6	Low	122 Å²	122	135.9 Å²	135.9	79%	0.792	70%	0.7	S	S	*	*			trans	-75.7	111.8	179	21.3	-14	0	0	0	108.8	L418 P422	L418-P420 WeakPolarHBondContact O-CD 3.36Å; P420-P422 WeakPolarHBondContact O-CD 3.24Å
421	C	56.3	Low	57.9	Low	107 Å²	107	140.9 Å²	140.9	72%	0.723	72%	0.715	S	S	*	*			trans	-59	120.3	164.9	-79.5	0	0	0	0	109.3	T419 C423	T419-C421 PolarHBondContact O-N 3.18Å; C421-C423 PolarHBondContact O-N 3.23Å
422	P	52.4	Low	55.4	Low	131 Å²	131	141.8 Å²	141.8	85%	0.851	72%	0.721	S	S	*	*			trans	-79.5	89.5	176.1	31.3	-29.8	0	0	0	109.2	P420 K424	P420-P422 WeakPolarHBondContact O-CD 3.24Å; P422-K424 PolarHBondContact O-N 2.84Å
423	C	48.2	Very low	52.7	Low	121 Å²	121	145.6 Å²	145.6	82%	0.818	74%	0.735	S	S	*	*			trans	-82.3	101.6	170.2	-67.1	0	0	0	0	110	C421	C421-C423 PolarHBondContact O-N 3.23Å
424	K	48.9	Very low	50.3	Low	199 Å²	199	148.5 Å²	148.5	87%	0.865	75%	0.75	S	S	*	*			trans	-106.8	113.4	156	-81.6	-173.6	178.3	177.8	0	108.6	P422	P422-K424 PolarHBondContact O-N 2.84Å
425	C	42.4	Very low	47.8	Very low	135 Å²	135	153 Å²	153	91%	0.912	77%	0.768	S	S	*	*				178.7	128.5	125.3	-96.7	0	0	0	0	112.4
426	K	41.4	Very low	45.6	Very low	196 Å²	196	153.8 Å²	153.8	85%	0.852	78%	0.778	S	S	*	*			trans	-87.2	136.1	170.2	-80.2	-178	172.6	177.8	0	110.1
427	T	42.3	Very low	43.5	Very low	123 Å²	123	153 Å²	153	76%	0.755	78%	0.782	S	S	*	*			trans	46.8	134.4	138.5	63.4	0	0	0	0	119.5
428	K	39.6	Very low	41.6	Very low	178 Å²	178	150.9 Å²	150.9	77%	0.774	78%	0.784	S	S	*	*			cis	-173.6	137.3	36.9	-136.5	172.4	-174	176.4	0	110
429	R	36.5	Very low	40.1	Very low	228 Å²	228	148.8 Å²	148.8	86%	0.86	78%	0.784	S	S	*	*			trans	49.1	114.4	145.4	-74.5	178.6	170.7	176.3	-3.2	120.8
430	Q	33.9	Very low	38.8	Very low	186 Å²	186	153.9 Å²	153.9	87%	0.869	80%	0.803	S	S	*	*				-159.8	124.3	104.6	-134.6	168.4	0.2	0	0	113.7
431	K	34.8	Very low	37.6	Very low	181 Å²	181	153.3 Å²	153.3	79%	0.787	80%	0.802	S	S	*	*			trans	32	118.7	152.2	-77.1	179.2	173.1	179.3	0	122.2
432	N	31.6	Very low	36.6	Very low	141 Å²	141	153 Å²	153	75%	0.754	80%	0.801	S	S	*	*				81.7	99.1	127.7	-66.2	5.1	0	0	0	120.8
433	M	30.8	Very low	35.5	Very low	166 Å²	166	154.2 Å²	154.2	82%	0.818	80%	0.798	S	S	*	*				61.7	101.7	121.2	-83.7	-74.1	-176.5	0	0	120.5
434	L	30.3	Very low	34.6	Very low	148 Å²	148	155.6 Å²	155.6	78%	0.775	80%	0.797	S	S	*	*			trans	70.5	97.1	132.9	-112.5	90.2	0	0	0	121.3
435	H	29.9	Very low	34.1	Very low	181 Å²	181	151.4 Å²	151.4	84%	0.838	79%	0.793	S	S	*	*				35.9	109.8	129.8	-78.5	-64.7	0	0	0	121
436	Q	29.4	Very low	33.9	Very low	182 Å²	182	151.2 Å²	151.2	85%	0.85	79%	0.79	S	S	*	*				-158.5	149.1	111.3	-139.5	171.6	13.9	0	0	111.6
437	S	31.2	Very low	33.1	Very low	100 Å²	100	145.1 Å²	145.1	70%	0.699	78%	0.783	S	S	*	*			trans	72.9	154.7	157.7	79.5	0	0	0	0	117.3
438	N	29.7	Very low	33.3	Very low	152 Å²	152	145.5 Å²	145.5	81%	0.813	79%	0.787	S	S	*	*			cis	-170.3	144.4	-7.5	-112.5	-8.5	0	0	0	107.2
439	A	34.4	Very low	32.8	Very low	76 Å²	76	142 Å²	142	63%	0.628	79%	0.791	S	S	*	*			trans	58.8	156.8	134.6	0	0	0	0	0	120.4
440	H	36.2	Very low	32.4	Very low	178 Å²	178	134.5 Å²	134.5	82%	0.824	79%	0.785	S	S	*	*			cis	-159.4	147.9	17.7	-94.8	-75.9	0	0	0	109.3
441	S	28.4	Very low	32.1	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	79%	0.787	S	S	*	*				-159.9	108.7	127.4	53.1	0	0	0	0	108.6
442	S	35.3	Very low	31.8	Very low	101 Å²	101	129.7 Å²	129.7	71%	0.706	79%	0.788	S	S	*	*				70.7	106.8	91	-48.9	0	0	0	0	111.5
443	I	30.7	Very low	31.6	Very low	156 Å²	156	128.3 Å²	128.3	80%	0.8	79%	0.789	S	S	*	*				-161.6	120.7	75.4	-87.4	163.6	0	0	0	112.7
444	L	29.6	Very low	31.6	Very low	151 Å²	151	124.8 Å²	124.8	79%	0.791	79%	0.786	S	S	*	*			trans	51.9	110.8	138.3	-63.1	154.4	0	0	0	121.8
445	S	36.7	Very low	31.5	Very low	111 Å²	111	125 Å²	125	78%	0.776	79%	0.788	S	S	*	*				91.2	140	50.6	-66.3	0	0	0	0	113.7
446	P	40.1	Very low	31.5	Very low	131 Å²	131	122.7 Å²	122.7	85%	0.851	78%	0.778	S	S	*	*				-143.5	162.9	57.6	38.1	-17.7	0	0	0	118.1
447	G	24.3	Very low	31.6	Very low	68 Å²	68	124.5 Å²	124.5	70%	0.701	78%	0.777	S	S	*	*			trans	-87.5	-157.7	163.2	0	0	0	0	0	112.5
448	P	46.2	Very low	31.4	Very low	131 Å²	131	129.4 Å²	129.4	85%	0.851	79%	0.786	S	S	*	*			cis	-143.7	-178.9	15	42.1	-22	0	0	0	117.7
449	A	29.3	Very low	31.4	Very low	104 Å²	104	127.2 Å²	127.2	86%	0.86	79%	0.789	S	S	*	*			trans	84.5	127.3	138.4	0	0	0	0	0	122.7
450	G	28.7	Very low	31.1	Very low	71 Å²	71	127 Å²	127	73%	0.732	79%	0.794	S	S	*	*			trans	127.9	86.9	130	0	0	0	0	0	118.2
451	D	26.4	Very low	30.7	Very low	168 Å²	168	123.6 Å²	123.6	90%	0.898	80%	0.797	S	S	*	*			trans	45.5	137.5	138.1	-63	-23.8	0	0	0	124.3
452	A	29	Very low	30.8	Very low	98 Å²	98	122 Å²	122	81%	0.81	80%	0.798	S	S	*	*			trans	122.5	138.9	132.5	0	0	0	0	0	118.2
453	S	26.8	Very low	30.5	Very low	112 Å²	112	127.6 Å²	127.6	78%	0.783	81%	0.809	S	S	*	*			trans	-53.1	163.7	-177.9	49.1	0	0	0	0	118
454	A	31.7	Very low	30.6	Very low	92 Å²	92	131.1 Å²	131.1	76%	0.76	81%	0.812	S	S	*	*			trans	-33.8	137.5	155.1	0	0	0	0	0	114
455	D	28.6	Very low	30.5	Very low	152 Å²	152	130.8 Å²	130.8	81%	0.813	82%	0.816	S	S	*	*				177.7	164.2	96.1	-141.8	-20.8	0	0	0	110.1
456	E	29.2	Very low	30.1	Very low	133 Å²	133	129.9 Å²	129.9	62%	0.621	81%	0.806	S	S	*	*			trans	69.2	115	159.1	-65.5	-156.3	115.1	0	0	122.7
457	R	31.1	Very low	29.4	Very low	219 Å²	219	134 Å²	134	83%	0.826	81%	0.811	S	S	*	*				52.3	138.3	125.8	-66	175.8	170.8	152.4	-7.1	121.2
458	K	27	Very low	29.8	Very low	204 Å²	204	137 Å²	137	89%	0.887	81%	0.81	S	S	*	*			trans	97.2	110.9	142.2	-121.2	176.4	-175	177.8	0	118
459	A	30.5	Very low	29	Very low	106 Å²	106	137.6 Å²	137.6	88%	0.876	80%	0.802	S	S	*	*			trans	49.4	134.5	131.8	0	0	0	0	0	121.7
460	G	27.1	Very low	29.3	Very low	72 Å²	72	138 Å²	138	74%	0.742	80%	0.796	S	S	*	*			trans	142.7	91.3	157.7	0	0	0	0	0	111.9
461	A	29.1	Very low	29.3	Very low	106 Å²	106	141 Å²	141	88%	0.876	79%	0.794	S	S	*	*				69.1	105.2	91.2	0	0	0	0	0	114.6
462	G	30.1	Very low	29.6	Very low	77 Å²	77	141.3 Å²	141.3	79%	0.794	79%	0.787	S	S	*	*			trans	51.6	124.8	131.3	0	0	0	0	0	121
463	K	29.4	Very low	29.6	Very low	217 Å²	217	142.2 Å²	142.2	94%	0.943	78%	0.778	S	S	*	*			trans	-121.2	122.1	146.2	-82.8	-176.5	176.8	178.3	0	109.7
464	R	31.1	Very low	29.7	Very low	230 Å²	230	144.1 Å²	144.1	87%	0.868	79%	0.786	S	S	*	*			trans	-91.3	159.6	167.9	-61.8	-174.4	-163.9	-145.6	4.4	109.9
465	V	28.8	Very low	29.6	Very low	144 Å²	144	144.5 Å²	144.5	87%	0.873	79%	0.789	S	S	*	*			trans	-141.2	97.5	144.2	-165.7	0	0	0	0	104.6
466	V	27.2	Very low	29.6	Very low	93 Å²	93	142.3 Å²	142.3	56%	0.564	79%	0.792	S	S	*	*				69.8	112.1	81	-177.9	0	0	0	0	113.8	L468	V466-L468 HydrophobicContact CG1-CD1 4.43Å; V466-L468 HydrophobicContact CG1-CG 4.19Å
467	F	26.5	Very low	29.6	Very low	218 Å²	218	139.4 Å²	139.4	96%	0.956	80%	0.798	S	S	*	*			trans	-131.7	133.8	137.2	-102.2	-88.7	0	0	0	107.6
468	L	31.7	Very low	29.7	Very low	129 Å²	129	137.3 Å²	137.3	68%	0.675	80%	0.797	S	S	*	*			trans	-88.5	124.8	-176.4	-83.1	157	0	0	0	109.8	V466	V466-L468 HydrophobicContact CG1-CD1 4.43Å; V466-L468 HydrophobicContact CG1-CG 4.19Å
469	E	30	Very low	29.8	Very low	145 Å²	145	134.4 Å²	134.4	68%	0.678	79%	0.792	S	S	*	*				86.9	155.9	95.9	-95.6	-170.9	-163.2	0	0	114.6
470	P	36.5	Very low	29.6	Very low	113 Å²	113	132.9 Å²	132.9	73%	0.734	79%	0.786	S	S	*	*			cis	-138	152.2	32.5	34.5	-12.2	0	0	0	119.8
471	L	28.4	Very low	29.6	Very low	132 Å²	132	139.7 Å²	139.7	69%	0.691	80%	0.795	S	S	*	*			trans	20.8	141.2	137.9	-70	143.3	0	0	0	119.7
472	K	31.4	Very low	29.8	Very low	176 Å²	176	141 Å²	141	77%	0.765	79%	0.792	S	S	*	*			cis	-176.2	140.3	44.6	-162.8	166.7	-179.6	179.4	0	113.9
473	D	29.2	Very low	29.6	Very low	116 Å²	116	148.4 Å²	148.4	62%	0.62	80%	0.796	S	S	*	*			trans	35.9	127.6	146.3	-48.1	-26.2	0	0	0	124.6
474	T	28.7	Very low	29.3	Very low	152 Å²	152	145.4 Å²	145.4	93%	0.933	79%	0.789	S	S	*	*				179	162.1	90.1	29.2	0	0	0	0	112.3
475	A	30.2	Very low	29.2	Very low	100 Å²	100	144.2 Å²	144.2	83%	0.826	79%	0.791	S	S	*	*			trans	-110.5	-173.8	-149.8	0	0	0	0	0	115.9
476	A	29	Very low	29.3	Very low	107 Å²	107	143.3 Å²	143.3	88%	0.884	79%	0.788	S	S	*	*			trans	90.2	130.6	167.6	0	0	0	0	0	116
477	G	28.9	Very low	29.2	Very low	72 Å²	72	143.9 Å²	143.9	74%	0.742	80%	0.796	S	S	*	*			cis	173.8	128.3	5.2	0	0	0	0	0	109.7
478	Q	32.2	Very low	29.2	Very low	174 Å²	174	142.5 Å²	142.5	81%	0.813	79%	0.793	S	S	*	*			trans	21.1	128.1	150	-73.4	-177.6	-3.4	0	0	123
479	N	29.5	Very low	28.9	Very low	144 Å²	144	140.6 Å²	140.6	77%	0.77	80%	0.796	S	S	*	*				74.3	111.4	123.4	-60.3	-12.9	0	0	0	121
480	G	27.1	Very low	28.7	Very low	73 Å²	73	140.1 Å²	140.1	75%	0.753	80%	0.802	S	S	*	*				102.5	115.2	110.3	0	0	0	0	0	116.6
481	K	26.6	Very low	28.3	Very low	215 Å²	215	141.9 Å²	141.9	94%	0.935	80%	0.804	S	S	*	*			trans	-169.5	130.4	140.7	-108.2	163	-174.2	177.5	0	112.7
482	V	32.7	Very low	28.3	Very low	134 Å²	134	140 Å²	140	81%	0.812	81%	0.808	S	S	*	*			trans	-67.3	141.2	168.9	172.9	0	0	0	0	110.9
483	R	26.1	Very low	28.1	Very low	232 Å²	232	141.2 Å²	141.2	88%	0.875	82%	0.816	S	S	*	*			trans	-150.5	114.9	155	-74.8	-159.8	173.1	-179.9	-2.2	108.5
484	L	24.4	Very low	27.9	Very low	155 Å²	155	139.5 Å²	139.5	81%	0.812	83%	0.826	S	S	*	*				73.1	113.3	85.3	-82.2	159.2	0	0	0	113.5
485	F	29	Very low	28	Very low	204 Å²	204	140.1 Å²	140.1	90%	0.895	82%	0.821	S	S	*	*			trans	-59.5	155.4	164.8	-73.3	-89.5	0	0	0	112
486	P	30	Very low	27.9	Very low	125 Å²	125	143 Å²	143	81%	0.812	82%	0.822	S	S	*	*			trans	-129.3	150.4	140.2	27.4	-10.1	0	0	0	113.5
487	S	25.1	Very low	27.8	Very low	105 Å²	105	147.9 Å²	147.9	73%	0.734	82%	0.823	S	S	*	*			trans	-81.9	157.8	-176.7	61	0	0	0	0	114.7
488	E	26	Very low	27.7	Very low	190 Å²	190	150 Å²	150	89%	0.888	83%	0.827	S	S	*	*			trans	18.2	127.9	139.4	-64.7	178.1	154.8	0	0	120.5
489	A	25.3	Very low	27.5	Very low	89 Å²	89	148.5 Å²	148.5	74%	0.736	83%	0.83	S	S	*	*				179.8	163.6	111.8	0	0	0	0	0	111.1
490	V	27.3	Very low	27.4	Very low	134 Å²	134	153.4 Å²	153.4	81%	0.812	84%	0.838	S	S	*	*			trans	88.4	116.4	159.2	-162.3	0	0	0	0	112
491	I	28.4	Very low	27.3	Very low	150 Å²	150	153.2 Å²	153.2	77%	0.769	84%	0.836	S	S	*	*			cis	-158.2	144.9	25.1	-63.7	179.7	0	0	0	110.1
492	A	27.2	Very low	27.5	Very low	94 Å²	94	153 Å²	153	78%	0.777	84%	0.835	S	S	*	*			trans	-100.5	126	156.7	0	0	0	0	0	109.5
493	E	27	Very low	27.2	Very low	200 Å²	200	152 Å²	152	94%	0.935	83%	0.834	S	S	*	*			trans	179.1	130.9	150.4	-106.4	177.7	-172.2	0	0	109.5
494	G	25.8	Very low	27.2	Very low	80 Å²	80	148.6 Å²	148.6	83%	0.825	83%	0.833	S	S	*	*			trans	152.3	29.1	174.4	0	0	0	0	0	118.1
495	I	29.7	Very low	27.4	Very low	165 Å²	165	146.2 Å²	146.2	85%	0.846	83%	0.829	S	S	*	*			trans	-92.8	110.8	161.6	-61.2	174	0	0	0	106.8
496	L	29.5	Very low	27.3	Very low	160 Å²	160	144.2 Å²	144.2	84%	0.838	83%	0.828	S	S	*	*			trans	161	95.1	145.4	-87.4	164.8	0	0	0	109.4
497	K	26.6	Very low	27.5	Very low	210 Å²	210	143.5 Å²	143.5	91%	0.913	83%	0.826	S	S	*	*			trans	-177.3	84.6	145.8	-102.1	163.1	-175.1	-178.9	0	109.4
498	S	26.7	Very low	27.7	Very low	118 Å²	118	144.3 Å²	144.3	83%	0.825	83%	0.826	S	S	*	*			trans	-91.2	112.9	156.5	60.3	0	0	0	0	108.2	R500	S498-R500 PolarHBondContact O-N 2.88Å
499	T	27.3	Very low	28	Very low	142 Å²	142	142.4 Å²	142.4	87%	0.871	82%	0.822	S	S	*	*			trans	-71.9	108.9	166.4	33.8	0	0	0	0	108.5	G501	T499-G501 PolarHBondContact O-N 2.68Å
500	R	28	Very low	28.4	Very low	247 Å²	247	144 Å²	144	93%	0.932	83%	0.828	S	S	*	*			trans	-75	100.1	177.6	-158.1	176.1	-171.9	172.8	1.8	109.1	S498	S498-R500 PolarHBondContact O-N 2.88Å
501	G	25.7	Very low	29	Very low	69 Å²	69	140.9 Å²	140.9	71%	0.711	81%	0.809	S	S	*	*			trans	-78.3	127.5	166.3	0	0	0	0	0	110.2	T499	T499-G501 PolarHBondContact O-N 2.68Å
502	K	29	Very low	29.8	Very low	210 Å²	210	137.1 Å²	137.1	91%	0.913	79%	0.787	S	S	*	*			trans	-57.3	136.9	179.3	-72.7	170.8	172.7	176.8	0	111.4
503	S	27.3	Very low	30.5	Very low	114 Å²	114	135.2 Å²	135.2	80%	0.797	77%	0.768	S	S	*	*			trans	-121.8	129.4	163.4	62.2	0	0	0	0	109.2
504	D	25.9	Very low	31.5	Very low	159 Å²	159	131.1 Å²	131.1	85%	0.85	75%	0.753	S	S	*	*			trans	-59.9	148.2	-176.4	-69.6	-51.3	0	0	0	113.7
505	S	29.3	Very low	32.8	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	74%	0.737	S	S	*	*			trans	-65.7	122	171.7	47	0	0	0	0	111.3
506	D	26.7	Very low	33.9	Very low	162 Å²	162	123.6 Å²	123.6	87%	0.866	70%	0.699	S	S	*	*			trans	-154.4	126.1	133.4	-95.5	-27.9	0	0	0	110.5
507	S	33.4	Very low	35.4	Very low	110 Å²	110	118.9 Å²	118.9	77%	0.769	67%	0.671	S	S	*	*			trans	-72.5	134.4	-175.4	48.6	0	0	0	0	112.5
508	V	30.1	Very low	36.3	Very low	122 Å²	122	113.8 Å²	113.8	74%	0.739	66%	0.658	S	S	*	*	S	Bend		167.4	129.7	129.6	165.8	0	0	0	0	108.2
509	N	31.2	Very low	36.6	Very low	150 Å²	150	109.4 Å²	109.4	80%	0.802	63%	0.629	S	S	*	*			trans	65.3	41	167.8	-67.2	-19.1	0	0	0	119.1	V511	N509-V511 VanDerWaalsContact C-N 3.26Å; N509-V511 PolarHBondContact O-N 2.8Å
510	S	34.2	Very low	36.8	Very low	122 Å²	122	107.7 Å²	107.7	85%	0.853	62%	0.623	S	S	*	*			trans	-73.3	62.2	175.9	68.9	0	0	0	0	114.4
511	V	39.3	Very low	36.8	Very low	70 Å²	70	105.9 Å²	105.9	42%	0.424	64%	0.64	S	S	.	*	S	Bend	trans	-89.8	-22.7	172.5	-170.9	0	0	0	0	112.1	N509	N509-V511 VanDerWaalsContact C-N 3.26Å; N509-V511 PolarHBondContact O-N 2.8Å
512	F	46.7	Very low	37.3	Very low	70 Å²	70	107.8 Å²	107.8	31%	0.307	64%	0.636	S	S	.	*	S	Bend	trans	-145	131.3	179.6	-56.9	-73.6	0	0	0	112.4	L146 F517	L146-F512 HydrophobicContact CD2-CE1 4.41Å; F512-F517 HydrophobicContact CD1-CZ 4.38Å
513	S	40.6	Very low	37.8	Very low	54 Å²	54	102.4 Å²	102.4	38%	0.378	62%	0.621	S	S	.	*			trans	-67.1	149.7	176.6	46.7	0	0	0	0	111.9	T515	S513-T515 VanDerWaalsContact CB-OG1 3.29Å; S513-T515 WeakPolarHBondContact CB-OG1 3.04Å; S513-T515 PolarHBondContact O-N 2.97Å; S513-T515 PolarHBondContact OG-OG1 2.8Å; S513-T515 VanDerWaalsContact OG-OG1 3.11Å
514	D	47.4	Very low	38.3	Very low	115 Å²	115	101.7 Å²	101.7	62%	0.615	61%	0.612	S	S	*	*	S	Bend	trans	-75.6	5.4	169.2	-72	-34.7	0	0	0	113	K168	K168-D514 IonicContact NZ-OD1 2.69Å; K168-D514 PolarHBondContact NZ-OD1 2.89Å
515	T	53.3	Low	39.1	Very low	81 Å²	81	98.4 Å²	98.4	50%	0.497	60%	0.598	S	S	.	*	S	Bend	trans	-91.7	133.4	177.3	58.2	0	0	0	0	110.2	S513	S513-T515 VanDerWaalsContact CB-OG1 3.29Å; S513-T515 WeakPolarHBondContact CB-OG1 3.04Å; S513-T515 PolarHBondContact O-N 2.97Å; S513-T515 PolarHBondContact OG-OG1 2.8Å; S513-T515 VanDerWaalsContact OG-OG1 3.11Å
516	P	54	Low	39.7	Very low	6 Å²	6	97.9 Å²	97.9	4%	0.039	59%	0.589	C	S	.	*	P	Polyproline II helix	trans	-60.2	148.3	172.2	30.4	-36.9	0	0	0	110	F195 D197 Y223 F253 V518	F195-P516 HydrophobicContact CZ-CB 4.2Å; D197-P516 WeakPolarHBondContact OD2-CB 3.33Å; Y223-P516 HydrophobicContact CD1-CB 4.24Å; Y223-P516 HydrophobicContact CD1-CG 3.67Å; Y223-P516 HydrophobicContact CE1-CG 3.77Å; Y223-P516 HydrophobicContact CG-CB 4.42Å; Y223-P516 HydrophobicContact CG-CG 4.33Å; F253-P516 HydrophobicContact CD2-CG 4.37Å; F253-P516 HydrophobicContact CE1-CG 4.07Å; F253-P516 HydrophobicContact CE2-CG 3.31Å; F253-P516 HydrophobicContact CZ-CG 3.14Å; P516-V518 PolarHBondContact O-N 2.8Å
517	F	59.8	Low	40.5	Very low	60 Å²	60	93.7 Å²	93.7	26%	0.263	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-79.4	119.6	-177.1	-69.2	-81.1	0	0	0	109.3	L146 Y148 Y170 F512 A519	L146-F517 HydrophobicContact CD2-CE2 4.32Å; Y148-F517 HydrophobicContact CD1-CD2 4.45Å; Y148-F517 HydrophobicContact CE1-CD2 4.25Å; Y148-F517 HydrophobicContact CE1-CE2 4.44Å; Y170-F517 AromaticContact CD1-CD2 3.84Å; Y170-F517 HydrophobicContact CD1-CD2 3.84Å; Y170-F517 HydrophobicContact CD1-CE2 4.11Å; Y170-F517 AromaticContact CE1-CD2 3.82Å; Y170-F517 HydrophobicContact CE1-CD2 3.82Å; Y170-F517 AromaticContact CE1-CE2 3.79Å; Y170-F517 HydrophobicContact CE1-CE2 3.79Å; F512-F517 HydrophobicContact CD1-CZ 4.38Å; F517-A519 PolarHBondContact O-N 2.95Å
518	V	46	Very low	41.1	Very low	103 Å²	103	92.5 Å²	92.5	62%	0.624	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-66.2	120.3	171	-177.1	0	0	0	0	107.9	P516 S520	P516-V518 PolarHBondContact O-N 2.8Å; V518-S520 PolarHBondContact O-N 3.33Å; V518-S520 VanDerWaalsContact O-N 3.15Å
519	A	33.4	Very low	41.9	Very low	27 Å²	27	90.2 Å²	90.2	22%	0.223	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-57.9	120.6	171.6	0	0	0	0	0	108.4	Y200 F517 T521	Y200-A519 HydrophobicContact CD2-CB 4.48Å; F517-A519 PolarHBondContact O-N 2.95Å; A519-T521 PolarHBondContact O-N 3Å
520	S	30.6	Very low	42.8	Very low	106 Å²	106	85.3 Å²	85.3	74%	0.741	52%	0.521	S	S	*	.			trans	-68.8	115.3	168	2	0	0	0	0	106.6	V518	V518-S520 PolarHBondContact O-N 3.33Å; V518-S520 VanDerWaalsContact O-N 3.15Å
521	T	28.3	Very low	43.6	Very low	209 Å²	209	81.9 Å²	81.9	100%	1.282	49%	0.49	S	S	*	.			trans	-63.7	0	172.8	50.6	0	0	0	0	111.9	A519	A519-T521 PolarHBondContact O-N 3Å

Retrieved 521 of 521 residues in 133.7 ms (Link to these results)

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