A0A096MEH9_POEFO Loading...

Thymidylate synthase

AlphaFold DB (A0A3B3UVI2), UniProt , Accession A0A096MEH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 322 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	33.7	Very low	241 Å²	241	149.9 Å²	149.9	100%	1.187	86%	0.862	S	S	*	*				0	120.7	0	-60.1	-167.7	-137.7	0	0	107.6
2	P	34.6	Very low	33.5	Very low	126 Å²	126	148.5 Å²	148.5	82%	0.818	86%	0.858	S	S	*	*			trans	-89.4	119.1	169.4	31.5	-23.6	0	0	0	108.8
3	A	33.3	Very low	33.3	Very low	106 Å²	106	155.7 Å²	155.7	88%	0.876	86%	0.862	S	S	*	*			trans	-86.2	108.4	170.5	0	0	0	0	0	108.2
4	T	41	Very low	33.2	Very low	129 Å²	129	161.3 Å²	161.3	79%	0.791	86%	0.863	S	S	*	*			trans	-93.6	126.3	161.5	47.9	0	0	0	0	108
5	S	34.9	Very low	33	Very low	113 Å²	113	161.5 Å²	161.5	79%	0.79	86%	0.864	S	S	*	*			trans	-140.9	111.7	151.2	75.6	0	0	0	0	109.2
6	E	33	Very low	32.8	Very low	181 Å²	181	157.5 Å²	157.5	85%	0.846	86%	0.861	S	S	*	*			trans	-62.5	135.7	171	-65.3	171.9	150.2	0	0	109.7
7	M	32.5	Very low	32.7	Very low	172 Å²	172	154.2 Å²	154.2	85%	0.847	86%	0.86	S	S	*	*			trans	-87.4	115.1	171.7	-67.4	-165.6	-56.2	0	0	109.3	T9	M7-T9 PolarHBondContact O-N 3.49Å
8	H	31.6	Very low	32.6	Very low	181 Å²	181	152.3 Å²	152.3	84%	0.838	86%	0.858	S	S	*	*			trans	-68.7	124.6	164.3	-81.4	-76.7	0	0	0	109.9
9	T	31.2	Very low	32.8	Very low	133 Å²	133	157.2 Å²	157.2	82%	0.816	86%	0.862	S	S	*	*			trans	-113.9	104.5	165	43.1	0	0	0	0	108.2	M7	M7-T9 PolarHBondContact O-N 3.49Å
10	E	31.2	Very low	32.8	Very low	191 Å²	191	156 Å²	156	89%	0.893	86%	0.86	S	S	*	*			trans	-98.5	122.9	164.2	-81.3	-170.4	157.2	0	0	109.1
11	G	29.6	Very low	33.1	Very low	76 Å²	76	156.7 Å²	156.7	78%	0.784	86%	0.862	S	S	*	*			trans	-77.7	145.9	176.9	0	0	0	0	0	112
12	V	31	Very low	32.9	Very low	133 Å²	133	154.2 Å²	154.2	81%	0.806	85%	0.848	S	S	*	*			trans	-129.9	110.5	163.4	-179.6	0	0	0	0	108.1
13	R	31.3	Very low	33	Very low	242 Å²	242	157.4 Å²	157.4	91%	0.913	85%	0.849	S	S	*	*			trans	-75.7	136.4	160.6	-76.7	179.9	174.4	-177.8	-1.6	108.7
14	R	32.4	Very low	32.9	Very low	234 Å²	234	158.5 Å²	158.5	88%	0.883	85%	0.847	S	S	*	*			trans	-145.6	147.4	148.9	-80.2	-161.7	176.8	167.4	-0.7	111.7
15	D	29.5	Very low	32.8	Very low	164 Å²	164	156.4 Å²	156.4	88%	0.877	84%	0.843	S	S	*	*			trans	-74.6	170.5	-159.6	-64.3	-62.4	0	0	0	116.7
16	A	30	Very low	33	Very low	98 Å²	98	157.6 Å²	157.6	81%	0.81	85%	0.845	S	S	*	*			trans	-77.7	160.1	-177.5	0	0	0	0	0	115.6
17	A	31.8	Very low	33	Very low	102 Å²	102	157.4 Å²	157.4	84%	0.843	84%	0.844	S	S	*	*			trans	92.8	108.2	152.6	0	0	0	0	0	119.3
18	S	29.7	Very low	33.4	Very low	119 Å²	119	158.5 Å²	158.5	83%	0.832	84%	0.844	S	S	*	*				-158.1	140	119.5	70.1	0	0	0	0	110.2
19	R	37.6	Very low	33.6	Very low	246 Å²	246	158.5 Å²	158.5	93%	0.928	84%	0.844	S	S	*	*			trans	-92	133.2	175	-76.9	176	173.5	172.6	-3.2	108.9
20	T	31.7	Very low	34	Very low	133 Å²	133	160.7 Å²	160.7	82%	0.816	85%	0.845	S	S	*	*			trans	-146.7	135.7	154.3	44	0	0	0	0	110
21	D	39.5	Very low	34.6	Very low	171 Å²	171	159 Å²	159	91%	0.914	84%	0.835	S	S	*	*			trans	-60.9	124.5	179.7	-68	-58.4	0	0	0	113
22	E	34.2	Very low	35.1	Very low	189 Å²	189	164.9 Å²	164.9	88%	0.883	84%	0.839	S	S	*	*			trans	-132.3	138.9	161.8	-78.5	-169.1	155.8	0	0	110.9
23	K	35.3	Very low	35.8	Very low	193 Å²	193	164.4 Å²	164.4	84%	0.839	83%	0.826	S	S	*	*			trans	-55.7	153.1	-176.4	-70.2	172	177.6	175.5	0	112	A25	K23-A25 PolarHBondContact O-N 2.98Å
24	P	32.2	Very low	36.5	Very low	129 Å²	129	155.3 Å²	155.3	84%	0.838	81%	0.808	S	S	*	*			trans	-65.4	111.4	-178.1	28	-33.6	0	0	0	109.9
25	A	37.9	Very low	37.7	Very low	85 Å²	85	152 Å²	152	70%	0.702	80%	0.8	S	S	*	*			trans	-61.9	134.1	163.7	0	0	0	0	0	108	K23 E27	K23-A25 PolarHBondContact O-N 2.98Å; A25-E27 VanDerWaalsContact C-N 3.34Å; A25-E27 PolarHBondContact O-N 2.93Å
26	V	39.8	Very low	39.5	Very low	138 Å²	138	145.3 Å²	145.3	84%	0.836	76%	0.764	S	S	*	*			trans	-64	100.8	167.3	177.6	0	0	0	0	106.2	K28	V26-K28 PolarHBondContact O-N 3.09Å
27	E	34.2	Very low	42.2	Very low	176 Å²	176	143.5 Å²	143.5	82%	0.822	75%	0.745	S	S	*	*			trans	-60	103.1	169.9	-77.1	-178.3	160.3	0	0	107.4	A25 E29	A25-E27 VanDerWaalsContact C-N 3.34Å; A25-E27 PolarHBondContact O-N 2.93Å; E27-E29 PolarHBondContact O-N 2.94Å; E27-E29 VanDerWaalsContact O-N 3.09Å
28	K	39.9	Very low	45.2	Very low	196 Å²	196	141 Å²	141	85%	0.852	72%	0.718	S	S	*	*			trans	-61.5	109	152.8	-85.5	-176.3	174.5	-176.4	0	104.7	V26 E30	V26-K28 PolarHBondContact O-N 3.09Å; K28-E30 VanDerWaalsContact C-N 3.31Å; K28-E30 PolarHBondContact O-N 2.73Å
29	E	36.2	Very low	48.4	Very low	180 Å²	180	135.5 Å²	135.5	84%	0.841	68%	0.678	S	S	*	*			trans	-53.2	102.9	164.4	-82.8	-174.2	146.1	0	0	107.3	E27 K31	E27-E29 PolarHBondContact O-N 2.94Å; E27-E29 VanDerWaalsContact O-N 3.09Å; E29-K31 VanDerWaalsContact C-N 3.29Å; E29-K31 PolarHBondContact O-N 2.82Å
30	E	40	Very low	51.2	Low	179 Å²	179	132.3 Å²	132.3	84%	0.836	67%	0.667	S	S	*	*			trans	-60	101.9	160.8	-78.4	-174.1	158.3	0	0	105.5	K28 K32	K28-E30 VanDerWaalsContact C-N 3.31Å; K28-E30 PolarHBondContact O-N 2.73Å; E30-K32 PolarHBondContact O-N 3.48Å
31	K	42.9	Very low	54.3	Low	157 Å²	157	126 Å²	126	68%	0.683	63%	0.628	S	S	*	*			trans	-53.3	97.4	168.2	-77.1	-179.9	-178.2	172	0	106.1	E29 F33 E47	E29-K31 VanDerWaalsContact C-N 3.29Å; E29-K31 PolarHBondContact O-N 2.82Å; K31-F33 PolarHBondContact O-N 3.42Å; K31-E47 IonicContact NZ-OE2 3.51Å; K31-E47 PolarHBondContact NZ-OE2 3Å; K31-E47 VanDerWaalsContact NZ-OE2 3.07Å
32	K	40.7	Very low	57.1	Low	198 Å²	198	118 Å²	118	86%	0.861	59%	0.585	S	S	*	*			trans	-53.4	120.8	173.8	-77.5	-178.7	177.7	176.4	0	106.3	E30 G34	E30-K32 PolarHBondContact O-N 3.48Å; K32-G34 PolarHBondContact O-N 2.9Å
33	F	44.9	Very low	60.1	Low	124 Å²	124	109.7 Å²	109.7	54%	0.544	55%	0.547	S	S	.	.			trans	-71.1	45.3	178.5	-144.2	-90.9	0	0	0	110.5	K31 L36	K31-F33 PolarHBondContact O-N 3.42Å; F33-L36 HydrophobicContact CE1-CD1 3.99Å; F33-L36 HydrophobicContact CE1-CG 4.46Å; F33-L36 HydrophobicContact CZ-CD1 3.95Å
34	G	45.8	Very low	63.1	Low	51 Å²	51	102.1 Å²	102.1	53%	0.526	52%	0.518	S	S	.	.			trans	-71.7	127.5	173.4	0	0	0	0	0	108	K32 L36	K32-G34 PolarHBondContact O-N 2.9Å; G34-L36 PolarHBondContact O-N 3.24Å
35	F	56.9	Low	66.2	Low	164 Å²	164	96 Å²	96	72%	0.719	48%	0.478	S	S	*	.			trans	7.9	95.1	174	-65.5	-81.7	0	0	0	114.5	C37	F35-C37 PolarHBondContact O-N 2.73Å; F35-C37 VanDerWaalsContact O-N 3.08Å; F35-C37 PolarHBondContact O-SG 3.07Å; F35-C37 VanDerWaalsContact O-SG 3.34Å
36	L	69.3	Low	69.1	Low	24 Å²	24	92 Å²	92	13%	0.126	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	114.1	172.4	-68.9	175.1	0	0	0	108.4	F33 G34 L45 V72 R73	F33-L36 HydrophobicContact CE1-CD1 3.99Å; F33-L36 HydrophobicContact CE1-CG 4.46Å; F33-L36 HydrophobicContact CZ-CD1 3.95Å; G34-L36 PolarHBondContact O-N 3.24Å; L36-L45 HydrophobicContact CD1-CB 4.19Å; L36-V72 HydrophobicContact CB-CG1 4.29Å; L36-V72 HydrophobicContact CB-CG2 4.15Å; L36-V72 HydrophobicContact CD1-CG2 4.27Å; L36-V72 WeakPolarHBondContact O-CA 3.34Å; L36-V72 WeakPolarHBondContact O-CG1 3.33Å; L36-R73 PolarHBondContact O-N 3.33Å
37	C	86.3	Confident	71.9	Confident	59 Å²	59	88.1 Å²	88.1	40%	0.399	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.2	180	-66.7	0	0	0	0	111.4	F35 G41 R73	F35-C37 PolarHBondContact O-N 2.73Å; F35-C37 VanDerWaalsContact O-N 3.08Å; F35-C37 PolarHBondContact O-SG 3.07Å; F35-C37 VanDerWaalsContact O-SG 3.34Å; C37-G41 PolarHBondContact O-N 2.95Å; C37-R73 CarbonylContact C-O 3.58Å; C37-R73 VanDerWaalsContact CA-O 3.24Å; C37-R73 WeakPolarHBondContact CA-O 3.5Å
38	D	93.4	Very high	74.9	Confident	51 Å²	51	82.3 Å²	82.3	27%	0.273	39%	0.391	S	S	.	.	H	α-helix	trans	56.5	-156.9	170.4	-58.3	-39.8	0	0	0	114	R40 G41 Y42 R73 Y74 N75 F285	D38-R40 PolarHBondContact O-N 2.89Å; D38-G41 WeakPolarHBondContact O-CA 3.43Å; D38-G41 PolarHBondContact O-N 2.87Å; D38-Y42 PolarHBondContact O-N 2.84Å; D38-R73 PolarHBondContact N-O 3.08Å; D38-Y74 WeakPolarHBondContact O-CE1 3.44Å; D38-Y74 WeakPolarHBondContact OD1-CA 3.32Å; D38-N75 PolarHBondContact OD1-N 3.34Å; D38-F285 HydrophobicContact CB-CE2 3.82Å; D38-F285 HydrophobicContact CB-CZ 4.43Å
39	E	97.7	Very high	77.7	Confident	2 Å²	2	73 Å²	73	1%	0.009	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-31.7	-177.4	179.8	155.2	-160.7	0	0	112.6	G41 Y42 L43 L83 T84 T85 I282 F285	E39-G41 VanDerWaalsContact C-N 3.27Å; E39-G41 PolarHBondContact O-N 3.06Å; E39-Y42 PolarHBondContact O-N 3.08Å; E39-L43 HydrophobicContact CG-CD1 4.04Å; E39-L43 HydrophobicContact CG-CG 4.37Å; E39-L43 WeakPolarHBondContact O-CG 3.47Å; E39-L43 PolarHBondContact O-N 3.39Å; E39-L83 HydrophobicContact CB-CD2 4.3Å; E39-L83 HydrophobicContact CG-CD2 3.99Å; E39-T84 VanDerWaalsContact CD-N 3.31Å; E39-T84 PolarHBondContact OE1-N 2.92Å; E39-T84 WeakPolarHBondContact OE2-CB 3.26Å; E39-T84 PolarHBondContact OE2-N 2.82Å; E39-T84 PolarHBondContact OE2-OG1 3.37Å; E39-T85 VanDerWaalsContact OE1-CB 3.29Å; E39-T85 WeakPolarHBondContact OE1-CB 3.45Å; E39-T85 WeakPolarHBondContact OE1-CG2 3.26Å; E39-T85 PolarHBondContact OE1-N 2.97Å; E39-T85 PolarHBondContact OE1-OG1 3.36Å; E39-I282 HydrophobicContact CB-CG2 4.08Å; E39-I282 HydrophobicContact CG-CD1 4.34Å; E39-I282 HydrophobicContact CG-CG1 4.23Å; E39-I282 HydrophobicContact CG-CG2 4.11Å; E39-F285 HydrophobicContact CB-CE1 3.81Å; E39-F285 HydrophobicContact CB-CE2 4.48Å; E39-F285 HydrophobicContact CB-CZ 3.56Å
40	R	96.9	Very high	80.6	Confident	180 Å²	180	65.9 Å²	65.9	68%	0.679	32%	0.318	S	S	*	.	H	α-helix	trans	-63.1	-37.4	174.6	-174.2	175.8	-63.6	175.9	2.3	111.4	D38 L43 S44 I282	D38-R40 PolarHBondContact O-N 2.89Å; R40-L43 PolarHBondContact O-N 2.69Å; R40-S44 VanDerWaalsContact O-CB 3.27Å; R40-S44 WeakPolarHBondContact O-CB 3.44Å; R40-S44 PolarHBondContact O-N 2.65Å; R40-S44 PolarHBondContact O-OG 3.15Å; R40-I282 HydrophobicContact CB-CD1 3.93Å
41	G	96.4	Very high	83.4	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-60.8	-47.7	175.6	0	0	0	0	0	112.4	C37 D38 E39 L45	C37-G41 PolarHBondContact O-N 2.95Å; D38-G41 WeakPolarHBondContact O-CA 3.43Å; D38-G41 PolarHBondContact O-N 2.87Å; E39-G41 VanDerWaalsContact C-N 3.27Å; E39-G41 PolarHBondContact O-N 3.06Å; G41-L45 WeakPolarHBondContact O-CB 3.44Å; G41-L45 PolarHBondContact O-N 3.03Å
42	Y	98.1	Very high	85.9	Confident	1 Å²	1	61.6 Å²	61.6	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-49.4	174.2	164.7	-97.7	0	0	0	112.4	D38 E39 L45 A46 L83 K86 M228 V232 P233 I236	D38-Y42 PolarHBondContact O-N 2.84Å; E39-Y42 PolarHBondContact O-N 3.08Å; Y42-L45 PolarHBondContact O-N 3.07Å; Y42-A46 PolarHBondContact O-N 3.45Å; Y42-L83 HydrophobicContact CD1-CD1 3.68Å; Y42-L83 HydrophobicContact CD1-CD2 4.13Å; Y42-L83 HydrophobicContact CD2-CD1 4.46Å; Y42-L83 HydrophobicContact CE1-CD1 3.44Å; Y42-L83 VanDerWaalsContact CE1-CD1 3.44Å; Y42-L83 HydrophobicContact CE2-CD1 4.25Å; Y42-L83 HydrophobicContact CG-CD1 4.19Å; Y42-L83 HydrophobicContact CG-CD2 4.34Å; Y42-K86 PolarHBondContact OH-NZ 3.46Å; Y42-M228 HydrophobicContact CD2-CE 3.63Å; Y42-M228 HydrophobicContact CE2-CE 3.77Å; Y42-M228 VanDerWaalsContact CE2-O 3.28Å; Y42-M228 WeakPolarHBondContact CE2-O 3.29Å; Y42-M228 PolarHBondContact OH-O 3.03Å; Y42-V232 HydrophobicContact CD2-CG1 3.79Å; Y42-V232 HydrophobicContact CE2-CB 4.36Å; Y42-V232 HydrophobicContact CE2-CG1 3.93Å; Y42-P233 HydrophobicContact CE2-CG 4.02Å; Y42-I236 HydrophobicContact CD2-CD1 4.33Å
43	L	98.4	Very high	88.6	Confident	16 Å²	16	53 Å²	53	8%	0.084	27%	0.267	C	S	.	.	H	α-helix	trans	-66.3	-43.9	-177.8	-67.8	171.7	0	0	0	112	E39 R40 L45 A46 E47 T85 Q277 L278 I282	E39-L43 HydrophobicContact CG-CD1 4.04Å; E39-L43 HydrophobicContact CG-CG 4.37Å; E39-L43 WeakPolarHBondContact O-CG 3.47Å; E39-L43 PolarHBondContact O-N 3.39Å; R40-L43 PolarHBondContact O-N 2.69Å; L43-L45 VanDerWaalsContact C-N 3.28Å; L43-L45 PolarHBondContact O-N 3.3Å; L43-A46 PolarHBondContact O-N 2.71Å; L43-E47 WeakPolarHBondContact O-CB 3.47Å; L43-E47 PolarHBondContact O-N 2.87Å; L43-T85 HydrophobicContact CD1-CG2 3.79Å; L43-Q277 HydrophobicContact CD2-CG 4.12Å; L43-L278 HydrophobicContact CB-CD2 3.88Å; L43-L278 HydrophobicContact CD2-CD2 4.09Å; L43-L278 WeakPolarHBondContact O-CD2 3.22Å; L43-I282 HydrophobicContact CD1-CD1 3.82Å; L43-I282 HydrophobicContact CD1-CG1 3.74Å
44	S	97.5	Very high	91.1	Very high	34 Å²	34	51.2 Å²	51.2	24%	0.238	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-37.2	178.7	-54.6	0	0	0	0	111.2	R40 H48	R40-S44 VanDerWaalsContact O-CB 3.27Å; R40-S44 WeakPolarHBondContact O-CB 3.44Å; R40-S44 PolarHBondContact O-N 2.65Å; R40-S44 PolarHBondContact O-OG 3.15Å; S44-H48 WeakPolarHBondContact O-CB 3.35Å; S44-H48 PolarHBondContact O-N 3.41Å
45	L	97.6	Very high	93.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-42.3	175.1	-177.8	60	0	0	0	111.8	L36 G41 Y42 L43 H48 I49 A70 V72 M228 L261	L36-L45 HydrophobicContact CD1-CB 4.19Å; G41-L45 WeakPolarHBondContact O-CB 3.44Å; G41-L45 PolarHBondContact O-N 3.03Å; Y42-L45 PolarHBondContact O-N 3.07Å; L43-L45 VanDerWaalsContact C-N 3.28Å; L43-L45 PolarHBondContact O-N 3.3Å; L45-H48 PolarHBondContact O-N 2.99Å; L45-I49 HydrophobicContact CD1-CD1 4.08Å; L45-I49 HydrophobicContact CD1-CG1 4.29Å; L45-I49 HydrophobicContact CG-CD1 3.89Å; L45-I49 WeakPolarHBondContact O-CD1 3.47Å; L45-I49 VanDerWaalsContact O-CG1 3.26Å; L45-I49 WeakPolarHBondContact O-CG1 3.43Å; L45-I49 PolarHBondContact O-N 2.8Å; L45-A70 HydrophobicContact CD1-CB 3.73Å; L45-A70 HydrophobicContact CD2-CB 3.69Å; L45-A70 HydrophobicContact CG-CB 4.4Å; L45-V72 HydrophobicContact CD2-CG2 4.14Å; L45-M228 HydrophobicContact CB-CE 4.13Å; L45-M228 HydrophobicContact CD2-CE 3.88Å; L45-M228 HydrophobicContact CD2-SD 4.14Å; L45-M228 HydrophobicContact CG-CE 3.99Å; L45-L261 HydrophobicContact CD2-CD1 3.52Å
46	A	97.9	Very high	95.3	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-44.5	176.1	0	0	0	0	0	112.1	Y42 L43 I49 M50 M228	Y42-A46 PolarHBondContact O-N 3.45Å; L43-A46 PolarHBondContact O-N 2.71Å; A46-I49 PolarHBondContact O-N 3.23Å; A46-M50 WeakPolarHBondContact O-CG 3.49Å; A46-M50 PolarHBondContact O-N 2.88Å; A46-M50 VanDerWaalsContact O-N 3.08Å; A46-M228 HydrophobicContact CB-CE 4.3Å
47	E	98.2	Very high	96.3	Very high	56 Å²	56	57 Å²	57	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-56.8	-50.9	172.6	-179.8	174.2	-110.3	0	0	110.7	K31 L43 I49 M50 E51 L278	K31-E47 IonicContact NZ-OE2 3.51Å; K31-E47 PolarHBondContact NZ-OE2 3Å; K31-E47 VanDerWaalsContact NZ-OE2 3.07Å; L43-E47 WeakPolarHBondContact O-CB 3.47Å; L43-E47 PolarHBondContact O-N 2.87Å; E47-I49 PolarHBondContact O-N 3.05Å; E47-M50 PolarHBondContact O-N 3.44Å; E47-E51 WeakPolarHBondContact O-CG 3.5Å; E47-E51 PolarHBondContact O-N 2.77Å; E47-L278 HydrophobicContact CB-CD1 3.91Å; E47-L278 HydrophobicContact CB-CD2 4.08Å; E47-L278 HydrophobicContact CG-CD1 4.32Å
48	H	97.8	Very high	96.4	Very high	54 Å²	54	56.2 Å²	56.2	25%	0.25	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-40.5	-179	-172.9	79.2	0	0	0	112.8	S44 L45 M50 E51 H52	S44-H48 WeakPolarHBondContact O-CB 3.35Å; S44-H48 PolarHBondContact O-N 3.41Å; L45-H48 PolarHBondContact O-N 2.99Å; H48-M50 VanDerWaalsContact C-N 3.33Å; H48-M50 PolarHBondContact O-N 3.24Å; H48-E51 PolarHBondContact O-N 2.88Å; H48-H52 AromaticContact CE1-CD2 3.45Å; H48-H52 PolarHBondContact CE1-CD2 2.98Å; H48-H52 VanDerWaalsContact CE1-CD2 3.45Å; H48-H52 AromaticContact CE1-CG 3.97Å; H48-H52 AromaticContact ND1-CD2 3.3Å; H48-H52 PolarHBondContact ND1-CD2 2.78Å; H48-H52 VanDerWaalsContact ND1-CD2 3.3Å; H48-H52 WeakPolarHBondContact O-CB 3.16Å; H48-H52 PolarHBondContact O-N 3.32Å
49	I	98.1	Very high	96	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-38.6	174.5	-69.2	161.2	0	0	0	111.1	L45 A46 E47 G53 L65 L67 M228 A264 V266	L45-I49 HydrophobicContact CD1-CD1 4.08Å; L45-I49 HydrophobicContact CD1-CG1 4.29Å; L45-I49 HydrophobicContact CG-CD1 3.89Å; L45-I49 WeakPolarHBondContact O-CD1 3.47Å; L45-I49 VanDerWaalsContact O-CG1 3.26Å; L45-I49 WeakPolarHBondContact O-CG1 3.43Å; L45-I49 PolarHBondContact O-N 2.8Å; A46-I49 PolarHBondContact O-N 3.23Å; E47-I49 PolarHBondContact O-N 3.05Å; I49-G53 WeakPolarHBondContact O-CA 3.27Å; I49-G53 PolarHBondContact O-N 2.89Å; I49-L65 HydrophobicContact CG2-CB 4.13Å; I49-L65 WeakPolarHBondContact CG2-O 3.14Å; I49-L67 HydrophobicContact CG1-CB 4.05Å; I49-M228 HydrophobicContact CD1-CG 3.68Å; I49-M228 HydrophobicContact CD1-SD 4.29Å; I49-A264 HydrophobicContact CD1-CB 3.84Å; I49-V266 HydrophobicContact CB-CG2 4.27Å; I49-V266 HydrophobicContact CG2-CB 4.1Å; I49-V266 HydrophobicContact CG2-CG2 3.83Å
50	M	98	Very high	95.3	Very high	32 Å²	32	62.6 Å²	62.6	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-70.2	-32.3	178.2	-71.4	-171.4	-64.4	0	0	113.1	A46 E47 H48 V266 I271 L274 K275 L278	A46-M50 WeakPolarHBondContact O-CG 3.49Å; A46-M50 PolarHBondContact O-N 2.88Å; A46-M50 VanDerWaalsContact O-N 3.08Å; E47-M50 PolarHBondContact O-N 3.44Å; H48-M50 VanDerWaalsContact C-N 3.33Å; H48-M50 PolarHBondContact O-N 3.24Å; M50-V266 HydrophobicContact CG-CB 4.35Å; M50-V266 HydrophobicContact CG-CG1 4.07Å; M50-V266 HydrophobicContact CG-CG2 4.16Å; M50-V266 HydrophobicContact SD-CG1 4.39Å; M50-I271 HydrophobicContact SD-CB 4.34Å; M50-I271 HydrophobicContact SD-CG1 4.41Å; M50-I271 HydrophobicContact SD-CG2 4.02Å; M50-L274 HydrophobicContact CE-CB 4.05Å; M50-L274 HydrophobicContact SD-CB 3.96Å; M50-L274 HydrophobicContact SD-CD1 4.49Å; M50-K275 HydrophobicContact CE-CG 4.5Å; M50-L278 HydrophobicContact CE-CD1 3.3Å; M50-L278 HydrophobicContact CE-CG 4.42Å
51	E	97.8	Very high	94.9	Very high	127 Å²	127	57.2 Å²	57.2	59%	0.593	31%	0.308	S	S	*	.	H	α-helix	trans	-85.7	-36.2	-179	-68.8	-177.2	159.6	0	0	113.2	E47 H48	E47-E51 WeakPolarHBondContact O-CG 3.5Å; E47-E51 PolarHBondContact O-N 2.77Å; H48-E51 PolarHBondContact O-N 2.88Å
52	H	97.1	Very high	94.7	Very high	119 Å²	119	59.3 Å²	59.3	55%	0.551	32%	0.32	S	S	*	.	H	α-helix	trans	-126.2	-6.2	-168.3	-56.4	-67.4	0	0	0	114.2	H48	H48-H52 AromaticContact CE1-CD2 3.45Å; H48-H52 PolarHBondContact CE1-CD2 2.98Å; H48-H52 VanDerWaalsContact CE1-CD2 3.45Å; H48-H52 AromaticContact CE1-CG 3.97Å; H48-H52 AromaticContact ND1-CD2 3.3Å; H48-H52 PolarHBondContact ND1-CD2 2.78Å; H48-H52 VanDerWaalsContact ND1-CD2 3.3Å; H48-H52 WeakPolarHBondContact O-CB 3.16Å; H48-H52 PolarHBondContact O-N 3.32Å
53	G	97.1	Very high	94.6	Very high	16 Å²	16	59.7 Å²	59.7	17%	0.165	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-65.1	143.5	-179	0	0	0	0	0	112.5	I49 S66	I49-G53 WeakPolarHBondContact O-CA 3.27Å; I49-G53 PolarHBondContact O-N 2.89Å; G53-S66 CarbonylContact C-O 3.59Å; G53-S66 WeakPolarHBondContact CA-O 3.3Å
54	C	97.1	Very high	94.5	Very high	88 Å²	88	59.3 Å²	59.3	60%	0.595	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	128.2	174.3	-69.4	0	0	0	0	109.7	K56 S66	C54-K56 PolarHBondContact O-N 2.8Å; C54-S66 PolarHBondContact N-O 2.78Å; C54-S66 PolarHBondContact O-N 2.87Å
55	R	96.6	Very high	94.6	Very high	195 Å²	195	58.9 Å²	58.9	74%	0.736	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	128	172.9	-168.1	176.1	-176.5	-144.3	-1.2	110.3	V64 L65	R55-V64 WeakPolarHBondContact CA-O 3.45Å; R55-L65 HydrophobicContact CB-CD2 3.93Å; R55-L65 HydrophobicContact CG-CD2 4.28Å
56	K	93.7	Very high	94.5	Very high	96 Å²	96	59.2 Å²	59.2	42%	0.417	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.1	177.9	-67.7	167.4	60.7	-171.1	0	110.2	C54 G63 V64 D263	C54-K56 PolarHBondContact O-N 2.8Å; K56-G63 WeakPolarHBondContact O-CA 3.49Å; K56-V64 HydrophobicContact CB-CG2 4Å; K56-V64 PolarHBondContact N-O 3.36Å; K56-V64 PolarHBondContact O-N 3.48Å; K56-D263 IonicContact NZ-OD2 3.55Å; K56-D263 PolarHBondContact NZ-OD2 2.62Å
57	G	91.1	Very high	94.5	Very high	68 Å²	68	61.1 Å²	61.1	70%	0.701	33%	0.33	S	S	*	.			trans	-73.2	172	160.6	0	0	0	0	0	110.8
58	D	87.9	Confident	94.4	Very high	43 Å²	43	66.5 Å²	66.5	23%	0.23	35%	0.353	C	S	.	.			trans	-153	170.6	176.6	79.7	-72.8	0	0	0	110.3	T60 G61 T62 G63 V64	D58-T60 VanDerWaalsContact CG-OG1 3.32Å; D58-T60 PolarHBondContact O-N 2.99Å; D58-T60 PolarHBondContact OD1-OG1 2.77Å; D58-T60 WeakPolarHBondContact OD2-CA 3.24Å; D58-T60 WeakPolarHBondContact OD2-CB 3.44Å; D58-T60 VanDerWaalsContact OD2-CG2 3.22Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.46Å; D58-T60 PolarHBondContact OD2-N 2.96Å; D58-T60 PolarHBondContact OD2-OG1 2.98Å; D58-G61 PolarHBondContact O-N 2.82Å; D58-T62 PolarHBondContact OD1-N 3.27Å; D58-G63 WeakPolarHBondContact OD1-CA 3.18Å; D58-G63 PolarHBondContact OD1-N 2.91Å; D58-V64 HydrophobicContact CB-CG1 4.46Å
59	R	84.3	Confident	94.3	Very high	161 Å²	161	66 Å²	66	61%	0.608	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.8	-175.9	66.6	170.1	-172.2	72.6	7.1	114.4	V322	R59-V322 PolarHBondContact NH1-OXT 3.28Å
60	T	83.4	Confident	94.2	Very high	26 Å²	26	66.6 Å²	66.6	16%	0.16	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.1	-178.9	75.9	0	0	0	0	112.5	D58 T62 A321 V322	D58-T60 VanDerWaalsContact CG-OG1 3.32Å; D58-T60 PolarHBondContact O-N 2.99Å; D58-T60 PolarHBondContact OD1-OG1 2.77Å; D58-T60 WeakPolarHBondContact OD2-CA 3.24Å; D58-T60 WeakPolarHBondContact OD2-CB 3.44Å; D58-T60 VanDerWaalsContact OD2-CG2 3.22Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.46Å; D58-T60 PolarHBondContact OD2-N 2.96Å; D58-T60 PolarHBondContact OD2-OG1 2.98Å; T60-T62 VanDerWaalsContact C-N 3.27Å; T60-T62 PolarHBondContact O-N 2.81Å; T60-T62 WeakPolarHBondContact OG1-CB 3.41Å; T60-T62 PolarHBondContact OG1-N 2.96Å; T60-T62 PolarHBondContact OG1-OG1 2.83Å; T60-T62 VanDerWaalsContact OG1-OG1 3.12Å; T60-A321 HydrophobicContact CG2-CB 3.78Å; T60-V322 WeakPolarHBondContact CB-O 3.41Å
61	G	88.8	Confident	94.2	Very high	68 Å²	68	68.6 Å²	68.6	70%	0.701	38%	0.376	S	S	*	.	S	Bend	trans	78.8	-0.3	-175.5	0	0	0	0	0	115.3	D58	D58-G61 PolarHBondContact O-N 2.82Å
62	T	92.8	Very high	94.2	Very high	44 Å²	44	62.8 Å²	62.8	27%	0.27	35%	0.35	S	S	.	.	S	Bend	trans	-71.7	-34.7	179.1	-58.3	0	0	0	0	112.4	D58 T60 Y267 N269	D58-T62 PolarHBondContact OD1-N 3.27Å; T60-T62 VanDerWaalsContact C-N 3.27Å; T60-T62 PolarHBondContact O-N 2.81Å; T60-T62 WeakPolarHBondContact OG1-CB 3.41Å; T60-T62 PolarHBondContact OG1-N 2.96Å; T60-T62 PolarHBondContact OG1-OG1 2.83Å; T60-T62 VanDerWaalsContact OG1-OG1 3.12Å; T62-Y267 HydrophobicContact CG2-CD1 3.83Å; T62-Y267 HydrophobicContact CG2-CG 4.43Å; T62-N269 HydrophobicContact CG2-CB 4.26Å
63	G	95.4	Very high	94.2	Very high	9 Å²	9	61.2 Å²	61.2	9%	0.093	34%	0.339	C	S	.	.			trans	77.6	157.4	-168.6	0	0	0	0	0	112.8	K56 D58 L268	K56-G63 WeakPolarHBondContact O-CA 3.49Å; D58-G63 WeakPolarHBondContact OD1-CA 3.18Å; D58-G63 PolarHBondContact OD1-N 2.91Å; G63-L268 WeakPolarHBondContact O-CG 3.35Å; G63-L268 PolarHBondContact O-N 3.29Å; G63-L268 VanDerWaalsContact O-N 3.09Å
64	V	97.4	Very high	94.3	Very high	8 Å²	8	60.6 Å²	60.6	5%	0.048	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.9	-179.4	-60	0	0	0	0	112.1	R55 K56 D58 H265 V266 Y267	R55-V64 WeakPolarHBondContact CA-O 3.45Å; K56-V64 HydrophobicContact CB-CG2 4Å; K56-V64 PolarHBondContact N-O 3.36Å; K56-V64 PolarHBondContact O-N 3.48Å; D58-V64 HydrophobicContact CB-CG1 4.46Å; V64-H265 HydrophobicContact CB-CB 4.05Å; V64-H265 HydrophobicContact CG1-CB 4.35Å; V64-H265 HydrophobicContact CG2-CB 4.3Å; V64-V266 CarbonylContact C-O 3.44Å; V64-V266 WeakPolarHBondContact CA-O 3.24Å; V64-Y267 HydrophobicContact CG1-CD1 3.56Å; V64-Y267 HydrophobicContact CG1-CE1 3.72Å; V64-Y267 HydrophobicContact CG1-CG 4.11Å
65	L	98.1	Very high	94.2	Very high	25 Å²	25	58.8 Å²	58.8	13%	0.131	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.5	153.2	-60.9	176.7	0	0	0	107.5	I49 R55 H265 V266 L268 I271	I49-L65 HydrophobicContact CG2-CB 4.13Å; I49-L65 WeakPolarHBondContact CG2-O 3.14Å; R55-L65 HydrophobicContact CB-CD2 3.93Å; R55-L65 HydrophobicContact CG-CD2 4.28Å; L65-H265 CarbonylContact O-C 3.59Å; L65-H265 WeakPolarHBondContact O-CA 3.3Å; L65-H265 WeakPolarHBondContact O-CB 3.35Å; L65-V266 PolarHBondContact N-O 2.87Å; L65-V266 PolarHBondContact O-N 3Å; L65-L268 HydrophobicContact CD2-CD2 4.29Å; L65-L268 HydrophobicContact CG-CD2 3.98Å; L65-I271 HydrophobicContact CD1-CD1 3.84Å; L65-I271 HydrophobicContact CG-CD1 4.47Å
66	S	97	Very high	94.3	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.049	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145.4	-169.3	167.8	0	0	0	0	112.6	G53 C54 D263 A264	G53-S66 CarbonylContact C-O 3.59Å; G53-S66 WeakPolarHBondContact CA-O 3.3Å; C54-S66 PolarHBondContact N-O 2.78Å; C54-S66 PolarHBondContact O-N 2.87Å; S66-D263 WeakPolarHBondContact CB-OD1 3.16Å; S66-D263 PolarHBondContact OG-OD1 2.76Å; S66-D263 PolarHBondContact OG-OD2 2.84Å; S66-A264 WeakPolarHBondContact CA-O 3.25Å
67	L	96.4	Very high	94.5	Very high	41 Å²	41	48.9 Å²	48.9	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143	168.8	-178	138.9	0	0	0	109.1	I49 G69 A70 A264	I49-L67 HydrophobicContact CG1-CB 4.05Å; L67-G69 WeakPolarHBondContact CD2-O 3.17Å; L67-A70 HydrophobicContact CD2-CB 4.23Å; L67-A264 PolarHBondContact N-O 2.76Å; L67-A264 PolarHBondContact O-N 2.74Å
68	F	97.3	Very high	94.7	Very high	169 Å²	169	53.1 Å²	53.1	74%	0.741	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.9	-179.5	-170.4	-113.3	0	0	0	111	G262	F68-G262 WeakPolarHBondContact CA-O 3.17Å
69	G	95.9	Very high	95.1	Very high	45 Å²	45	53.3 Å²	53.3	46%	0.464	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.1	106.2	-179.6	0	0	0	0	0	112.6	L67 L261 G262	L67-G69 WeakPolarHBondContact CD2-O 3.17Å; G69-L261 CarbonylContact C-O 3.52Å; G69-L261 VanDerWaalsContact CA-O 3.24Å; G69-L261 WeakPolarHBondContact CA-O 3.35Å; G69-G262 PolarHBondContact N-O 2.69Å
70	A	96.1	Very high	95.8	Very high	11 Å²	11	45.6 Å²	45.6	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	161	169.3	0	0	0	0	0	110.6	L45 L67 L261	L45-A70 HydrophobicContact CD1-CB 3.73Å; L45-A70 HydrophobicContact CD2-CB 3.69Å; L45-A70 HydrophobicContact CG-CB 4.4Å; L67-A70 HydrophobicContact CD2-CB 4.23Å; A70-L261 HydrophobicContact CB-CB 4.36Å; A70-L261 HydrophobicContact CB-CD1 4.43Å; A70-L261 PolarHBondContact N-O 3.34Å; A70-L261 PolarHBondContact O-N 2.77Å
71	Q	96.7	Very high	96.5	Very high	74 Å²	74	44.4 Å²	44.4	35%	0.346	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	135.8	174.6	-168.6	175.5	92.4	0	0	110.9	V258 H259 T260	Q71-V258 VanDerWaalsContact CD-CG1 3.44Å; Q71-V258 HydrophobicContact CG-CG1 3.65Å; Q71-H259 VanDerWaalsContact CA-O 3.3Å; Q71-H259 WeakPolarHBondContact CA-O 3.29Å; Q71-T260 PolarHBondContact NE2-OG1 2.88Å
72	V	97.1	Very high	97	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.03	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141	174.7	-172.4	0	0	0	0	108.9	L36 L45 Y74 H259	L36-V72 HydrophobicContact CB-CG1 4.29Å; L36-V72 HydrophobicContact CB-CG2 4.15Å; L36-V72 HydrophobicContact CD1-CG2 4.27Å; L36-V72 WeakPolarHBondContact O-CA 3.34Å; L36-V72 WeakPolarHBondContact O-CG1 3.33Å; L45-V72 HydrophobicContact CD2-CG2 4.14Å; V72-Y74 HydrophobicContact CB-CE2 4.02Å; V72-Y74 HydrophobicContact CG1-CD2 4.47Å; V72-Y74 HydrophobicContact CG1-CE1 4.25Å; V72-Y74 HydrophobicContact CG1-CE2 3.69Å; V72-Y74 WeakPolarHBondContact CG1-OH 3.23Å; V72-H259 PolarHBondContact N-O 2.88Å; V72-H259 PolarHBondContact O-N 3.28Å
73	R	98	Very high	97.2	Very high	87 Å²	87	39.2 Å²	39.2	33%	0.328	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.2	177.4	-179.3	177.9	-64.5	-113.6	-1.2	110.4	L36 C37 D38 D256 F257 V258	L36-R73 PolarHBondContact O-N 3.33Å; C37-R73 CarbonylContact C-O 3.58Å; C37-R73 VanDerWaalsContact CA-O 3.24Å; C37-R73 WeakPolarHBondContact CA-O 3.5Å; D38-R73 PolarHBondContact N-O 3.08Å; R73-D256 HydrophobicContact CG-CB 4.42Å; R73-D256 IonicContact CZ-OD2 3.79Å; R73-D256 IonicContact NH1-OD2 3.07Å; R73-D256 PolarHBondContact NH1-OD2 2.79Å; R73-F257 CarbonylContact C-O 3.58Å; R73-F257 WeakPolarHBondContact CA-O 3.4Å; R73-V258 HydrophobicContact CG-CG2 4.19Å
74	Y	98.3	Very high	97.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.1	175.8	-57.4	-92.1	0	0	0	108.8	D38 V72 P81 I236 D256 F257 H259 F285	D38-Y74 WeakPolarHBondContact O-CE1 3.44Å; D38-Y74 WeakPolarHBondContact OD1-CA 3.32Å; V72-Y74 HydrophobicContact CB-CE2 4.02Å; V72-Y74 HydrophobicContact CG1-CD2 4.47Å; V72-Y74 HydrophobicContact CG1-CE1 4.25Å; V72-Y74 HydrophobicContact CG1-CE2 3.69Å; V72-Y74 WeakPolarHBondContact CG1-OH 3.23Å; Y74-P81 HydrophobicContact CD1-CB 3.66Å; Y74-P81 HydrophobicContact CG-CB 4.01Å; Y74-P81 HydrophobicContact CG-CG 4.45Å; Y74-I236 HydrophobicContact CD1-CG2 4.09Å; Y74-I236 HydrophobicContact CD2-CG2 4.13Å; Y74-I236 HydrophobicContact CE1-CD1 4.21Å; Y74-I236 HydrophobicContact CE1-CG2 3.97Å; Y74-I236 HydrophobicContact CE2-CD1 4.2Å; Y74-I236 HydrophobicContact CE2-CG1 3.89Å; Y74-I236 HydrophobicContact CE2-CG2 3.99Å; Y74-I236 HydrophobicContact CG-CG2 4.19Å; Y74-I236 WeakPolarHBondContact OH-CD1 3.41Å; Y74-D256 WeakPolarHBondContact O-CA 3.25Å; Y74-F257 AromaticContact CD2-CD1 3.5Å; Y74-F257 HydrophobicContact CD2-CD1 3.5Å; Y74-F257 VanDerWaalsContact CD2-CD1 3.5Å; Y74-F257 AromaticContact CD2-CE1 3.97Å; Y74-F257 HydrophobicContact CD2-CE1 3.97Å; Y74-F257 HydrophobicContact CE2-CD1 4.17Å; Y74-F257 HydrophobicContact CE2-CE1 4.18Å; Y74-F257 HydrophobicContact CG-CD1 4.22Å; Y74-F257 PolarHBondContact N-O 2.95Å; Y74-F257 PolarHBondContact O-N 3.33Å; Y74-H259 HydrophobicContact CE2-CB 4.28Å; Y74-F285 HydrophobicContact CD1-CZ 4.46Å
75	N	96.9	Very high	97.5	Very high	51 Å²	51	38.4 Å²	38.4	27%	0.273	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.2	171.8	-178.6	4.3	0	0	0	109.1	D38 R77 Q79	D38-N75 PolarHBondContact OD1-N 3.34Å; N75-R77 VanDerWaalsContact OD1-CB 3.26Å; N75-R77 WeakPolarHBondContact OD1-CB 3.16Å; N75-R77 VanDerWaalsContact OD1-CG 3.32Å; N75-R77 WeakPolarHBondContact OD1-CG 3.48Å; N75-R77 PolarHBondContact OD1-N 3.07Å; N75-R77 PolarHBondContact OD1-NH1 3.45Å; N75-Q79 WeakPolarHBondContact O-CG 3.45Å
76	L	98.4	Very high	97.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.			trans	-98.8	-3.9	179	-52.3	-175.6	0	0	0	113.2	D78 Q79 P81 A240 T243 Y244 P254 G255 F257	L76-D78 PolarHBondContact O-N 2.95Å; L76-Q79 CarbonylContact C-O 3.49Å; L76-P81 HydrophobicContact CD2-CG 3.63Å; L76-A240 HydrophobicContact CD2-CB 3.81Å; L76-T243 HydrophobicContact CD1-CG2 3.84Å; L76-Y244 HydrophobicContact CB-CE2 3.84Å; L76-Y244 HydrophobicContact CD1-CD2 4.38Å; L76-Y244 HydrophobicContact CD1-CE2 4.34Å; L76-Y244 HydrophobicContact CD2-CE2 4.41Å; L76-Y244 HydrophobicContact CG-CE2 4.44Å; L76-Y244 PolarHBondContact O-OH 3.42Å; L76-P254 HydrophobicContact CB-CB 3.83Å; L76-P254 HydrophobicContact CD1-CB 4.27Å; L76-G255 WeakPolarHBondContact CA-O 3.46Å; L76-G255 WeakPolarHBondContact CB-O 3.43Å; L76-G255 PolarHBondContact N-O 3.45Å; L76-F257 HydrophobicContact CD1-CB 4.07Å; L76-F257 HydrophobicContact CD2-CB 4Å; L76-F257 HydrophobicContact CG-CB 4.18Å
77	R	97.3	Very high	97.5	Very high	82 Å²	82	43.4 Å²	43.4	31%	0.309	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	120.9	178.9	-59.3	172.5	-165.7	80.5	-3.2	109.5	N75 Q79 E216 D256	N75-R77 VanDerWaalsContact OD1-CB 3.26Å; N75-R77 WeakPolarHBondContact OD1-CB 3.16Å; N75-R77 VanDerWaalsContact OD1-CG 3.32Å; N75-R77 WeakPolarHBondContact OD1-CG 3.48Å; N75-R77 PolarHBondContact OD1-N 3.07Å; N75-R77 PolarHBondContact OD1-NH1 3.45Å; R77-Q79 PolarHBondContact O-N 3.13Å; R77-E216 WeakPolarHBondContact CD-OE1 3.36Å; R77-E216 IonicContact CZ-OE1 2.69Å; R77-E216 IonicContact CZ-OE2 3.79Å; R77-E216 VanDerWaalsContact NE-CD 3.28Å; R77-E216 IonicContact NE-OE1 3.72Å; R77-E216 PolarHBondContact NE-OE1 2.79Å; R77-E216 IonicContact NE-OE2 2.76Å; R77-E216 PolarHBondContact NE-OE2 2.68Å; R77-E216 IonicContact NH2-OE2 2.75Å; R77-E216 PolarHBondContact NH2-OE2 3.36Å; R77-D256 IonicContact CZ-OD1 2.75Å; R77-D256 IonicContact NH1-OD1 2.82Å; R77-D256 PolarHBondContact NH1-OD1 3.49Å; R77-D256 IonicContact NH2-OD1 3.3Å
78	D	94.5	Very high	97.6	Very high	157 Å²	157	42 Å²	42	84%	0.84	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	22.1	178	-56.4	-45.1	0	0	0	115.1	L76 T287	L76-D78 PolarHBondContact O-N 2.95Å; D78-T287 VanDerWaalsContact O-CG2 3.3Å; D78-T287 WeakPolarHBondContact O-CG2 3.44Å
79	Q	97.3	Very high	97.6	Very high	47 Å²	47	38.4 Å²	38.4	22%	0.22	19%	0.187	C	C	.	.			trans	-159.4	156.1	178.6	70.1	-166.9	-52.9	0	0	111.9	N75 L76 R77 Y244 F285	N75-Q79 WeakPolarHBondContact O-CG 3.45Å; L76-Q79 CarbonylContact C-O 3.49Å; R77-Q79 PolarHBondContact O-N 3.13Å; Q79-Y244 PolarHBondContact O-OH 3.39Å; Q79-F285 HydrophobicContact CB-CB 4.29Å
80	F	98.6	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.174	C	C	.	.			trans	-123	120.6	180	-175.6	-103.4	0	0	0	110.1	L82 W90 A237 A240 L241 Y244 P286 L288 I307	F80-L82 HydrophobicContact CD1-CB 3.81Å; F80-L82 HydrophobicContact CE1-CB 4.01Å; F80-L82 PolarHBondContact O-N 2.68Å; F80-W90 HydrophobicContact CE1-CE3 4.18Å; F80-W90 HydrophobicContact CE1-CH2 4.26Å; F80-W90 AromaticContact CE1-CZ3 3.53Å; F80-W90 HydrophobicContact CE1-CZ3 3.53Å; F80-W90 HydrophobicContact CZ-CH2 4.13Å; F80-W90 AromaticContact CZ-CZ3 3.59Å; F80-W90 HydrophobicContact CZ-CZ3 3.59Å; F80-A237 HydrophobicContact CE1-CB 4.1Å; F80-A237 HydrophobicContact CZ-CB 4.07Å; F80-A237 WeakPolarHBondContact CZ-O 3.48Å; F80-A240 HydrophobicContact CD2-CB 4.36Å; F80-A240 HydrophobicContact CE2-CB 3.81Å; F80-A240 HydrophobicContact CZ-CB 4.4Å; F80-L241 HydrophobicContact CE2-CB 4.12Å; F80-L241 HydrophobicContact CZ-CB 4.16Å; F80-Y244 HydrophobicContact CD2-CD2 4.18Å; F80-Y244 AromaticContact CD2-CE2 3.89Å; F80-Y244 HydrophobicContact CD2-CE2 3.89Å; F80-Y244 HydrophobicContact CE2-CD2 4.49Å; F80-P286 PolarHBondContact N-O 2.86Å; F80-P286 WeakPolarHBondContact O-CD 3.34Å; F80-L288 HydrophobicContact CB-CB 3.82Å; F80-L288 HydrophobicContact CD2-CB 3.81Å; F80-L288 HydrophobicContact CD2-CD2 3.83Å; F80-L288 HydrophobicContact CD2-CG 4.39Å; F80-L288 HydrophobicContact CE2-CD2 3.88Å; F80-L288 HydrophobicContact CG-CB 3.84Å; F80-I307 HydrophobicContact CD1-CD1 3.72Å; F80-I307 HydrophobicContact CE1-CD1 3.99Å; F80-I307 HydrophobicContact CG-CD1 4.4Å
81	P	98.3	Very high	97.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	19%	0.189	C	C	.	.			trans	-75.7	71.2	-171.3	32.6	-37.7	0	0	0	112.1	Y74 L76 I236 A240 F285	Y74-P81 HydrophobicContact CD1-CB 3.66Å; Y74-P81 HydrophobicContact CG-CB 4.01Å; Y74-P81 HydrophobicContact CG-CG 4.45Å; L76-P81 HydrophobicContact CD2-CG 3.63Å; P81-I236 HydrophobicContact CB-CG2 3.82Å; P81-I236 HydrophobicContact CG-CG2 3.93Å; P81-I236 WeakPolarHBondContact O-CG2 3.33Å; P81-A240 HydrophobicContact CG-CB 3.59Å; P81-F285 HydrophobicContact CB-CE2 4.1Å; P81-F285 HydrophobicContact CB-CZ 4.07Å
82	L	98.6	Very high	97.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	17%	0.173	C	C	.	.			trans	-106.2	111	172.6	-171.7	66.4	0	0	0	108.2	F80 T84 V88 I93 A237 F285 P286 I307 Y310	F80-L82 HydrophobicContact CD1-CB 3.81Å; F80-L82 HydrophobicContact CE1-CB 4.01Å; F80-L82 PolarHBondContact O-N 2.68Å; L82-T84 PolarHBondContact O-N 2.86Å; L82-V88 HydrophobicContact CD1-CB 3.66Å; L82-V88 HydrophobicContact CD1-CG1 3.78Å; L82-V88 HydrophobicContact CD1-CG2 4.27Å; L82-V88 HydrophobicContact CG-CB 4.33Å; L82-I93 HydrophobicContact CD1-CD1 4.14Å; L82-A237 HydrophobicContact CD1-CB 3.92Å; L82-F285 WeakPolarHBondContact O-CD1 3.3Å; L82-P286 HydrophobicContact CB-CG 3.87Å; L82-P286 HydrophobicContact CD2-CG 4.38Å; L82-I307 HydrophobicContact CD2-CG2 4.39Å; L82-Y310 HydrophobicContact CB-CE2 4.25Å; L82-Y310 HydrophobicContact CD2-CD1 3.86Å; L82-Y310 HydrophobicContact CD2-CD2 3.94Å; L82-Y310 HydrophobicContact CD2-CE1 3.59Å; L82-Y310 HydrophobicContact CD2-CE2 3.69Å; L82-Y310 HydrophobicContact CD2-CG 4.04Å; L82-Y310 HydrophobicContact CG-CD2 4.39Å; L82-Y310 HydrophobicContact CG-CE1 4.26Å; L82-Y310 HydrophobicContact CG-CE2 3.75Å
83	L	98.6	Very high	97.9	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	17%	0.172	C	C	.	.			trans	-48.8	139.3	-173	-57.1	-172.4	0	0	0	112.4	E39 Y42 V88 P233 Y310	E39-L83 HydrophobicContact CB-CD2 4.3Å; E39-L83 HydrophobicContact CG-CD2 3.99Å; Y42-L83 HydrophobicContact CD1-CD1 3.68Å; Y42-L83 HydrophobicContact CD1-CD2 4.13Å; Y42-L83 HydrophobicContact CD2-CD1 4.46Å; Y42-L83 HydrophobicContact CE1-CD1 3.44Å; Y42-L83 VanDerWaalsContact CE1-CD1 3.44Å; Y42-L83 HydrophobicContact CE2-CD1 4.25Å; Y42-L83 HydrophobicContact CG-CD1 4.19Å; Y42-L83 HydrophobicContact CG-CD2 4.34Å; L83-V88 HydrophobicContact CB-CG2 3.94Å; L83-P233 HydrophobicContact CD1-CB 3.74Å; L83-P233 HydrophobicContact CD1-CG 3.72Å; L83-P233 HydrophobicContact CG-CB 4.42Å; L83-Y310 VanDerWaalsContact O-CE2 3.32Å; L83-Y310 WeakPolarHBondContact O-CE2 3.41Å; L83-Y310 PolarHBondContact O-OH 2.9Å
84	T	98.8	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-107.5	-23.6	-177.1	68.3	0	0	0	0	112.8	E39 L82 K86 R283 P284 F285 P312 H313	E39-T84 VanDerWaalsContact CD-N 3.31Å; E39-T84 PolarHBondContact OE1-N 2.92Å; E39-T84 WeakPolarHBondContact OE2-CB 3.26Å; E39-T84 PolarHBondContact OE2-N 2.82Å; E39-T84 PolarHBondContact OE2-OG1 3.37Å; L82-T84 PolarHBondContact O-N 2.86Å; T84-K86 PolarHBondContact O-N 3.44Å; T84-R283 HydrophobicContact CG2-CB 4.32Å; T84-R283 WeakPolarHBondContact CG2-O 3.43Å; T84-R283 PolarHBondContact OG1-N 3.01Å; T84-R283 PolarHBondContact OG1-O 3.14Å; T84-R283 VanDerWaalsContact OG1-O 3.13Å; T84-P284 WeakPolarHBondContact CG2-O 3.46Å; T84-F285 HydrophobicContact CG2-CD1 4.16Å; T84-P312 CarbonylContact O-C 3.58Å; T84-P312 VanDerWaalsContact O-CA 3.25Å; T84-P312 WeakPolarHBondContact O-CA 3.46Å; T84-P312 WeakPolarHBondContact O-CB 3.2Å; T84-H313 PolarHBondContact O-CD2 2.8Å; T84-H313 PolarHBondContact O-N 3.46Å
85	T	98.7	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-68.3	-11.9	173.8	54.3	0	0	0	0	113	E39 L43 Q277 R280 I282	E39-T85 VanDerWaalsContact OE1-CB 3.29Å; E39-T85 WeakPolarHBondContact OE1-CB 3.45Å; E39-T85 WeakPolarHBondContact OE1-CG2 3.26Å; E39-T85 PolarHBondContact OE1-N 2.97Å; E39-T85 PolarHBondContact OE1-OG1 3.36Å; L43-T85 HydrophobicContact CD1-CG2 3.79Å; T85-Q277 PolarHBondContact OG1-NE2 3.18Å; T85-R280 HydrophobicContact CG2-CB 4.19Å; T85-R280 WeakPolarHBondContact O-CD 3.44Å; T85-R280 PolarHBondContact O-NH1 3.39Å; T85-I282 HydrophobicContact CG2-CG1 4.01Å
86	K	98.4	Very high	98.1	Very high	14 Å²	14	33.8 Å²	33.8	6%	0.061	15%	0.15	C	C	.	.	S	Bend	trans	-148.2	150.2	163.3	67.4	-178.1	167	-153	0	110.2	Y42 T84 V88 G229 Y310 I316	Y42-K86 PolarHBondContact OH-NZ 3.46Å; T84-K86 PolarHBondContact O-N 3.44Å; K86-V88 HydrophobicContact CG-CG2 4.39Å; K86-V88 PolarHBondContact O-N 2.92Å; K86-G229 PolarHBondContact NZ-O 3.38Å; K86-Y310 PolarHBondContact O-OH 2.86Å; K86-I316 HydrophobicContact CB-CD1 4.27Å; K86-I316 HydrophobicContact CB-CG1 4.33Å
87	R	98.3	Very high	98.1	Very high	123 Å²	123	33.9 Å²	33.9	46%	0.464	15%	0.151	S	C	.	.			trans	-68.2	121.2	170.7	-177.5	173.9	-63.3	-79.7	-3.7	110.4	P312 H313	R87-P312 HydrophobicContact CB-CB 4.39Å; R87-P312 HydrophobicContact CB-CG 4Å; R87-P312 HydrophobicContact CG-CG 4.19Å; R87-H313 PolarHBondContact N-O 2.66Å
88	V	97.9	Very high	98.1	Very high	11 Å²	11	30.4 Å²	30.4	7%	0.067	14%	0.138	C	C	.	.			trans	-98.3	143.6	176.8	-176.3	0	0	0	0	109.8	L82 L83 K86 W90 I93 P233 Y310	L82-V88 HydrophobicContact CD1-CB 3.66Å; L82-V88 HydrophobicContact CD1-CG1 3.78Å; L82-V88 HydrophobicContact CD1-CG2 4.27Å; L82-V88 HydrophobicContact CG-CB 4.33Å; L83-V88 HydrophobicContact CB-CG2 3.94Å; K86-V88 HydrophobicContact CG-CG2 4.39Å; K86-V88 PolarHBondContact O-N 2.92Å; V88-W90 PolarHBondContact O-N 3.48Å; V88-I93 HydrophobicContact CG1-CD1 3.52Å; V88-P233 HydrophobicContact CG2-CB 4.4Å; V88-Y310 PolarHBondContact N-OH 2.89Å
89	F	97.1	Very high	98.3	Very high	95 Å²	95	23.3 Å²	23.3	42%	0.417	10%	0.1	S	C	.	.			trans	-80.5	80.9	-176.2	-178.5	-131.6	0	0	0	111.9	K91 G92 I93 V115 F234	F89-K91 HydrophobicContact CD2-CB 4.48Å; F89-K91 HydrophobicContact CE2-CB 3.84Å; F89-K91 HydrophobicContact CZ-CB 3.99Å; F89-K91 PolarHBondContact O-N 3.04Å; F89-G92 PolarHBondContact O-N 3.36Å; F89-G92 VanDerWaalsContact O-N 3.12Å; F89-I93 PolarHBondContact O-N 2.9Å; F89-V115 HydrophobicContact CE1-CG2 4.35Å; F89-V115 HydrophobicContact CZ-CG2 4.48Å; F89-F234 HydrophobicContact CB-CZ 3.91Å; F89-F234 HydrophobicContact CD1-CZ 4.32Å
90	W	98	Very high	98.4	Very high	46 Å²	46	21.1 Å²	21.1	17%	0.174	9%	0.089	C	C	.	.	H	α-helix	trans	-50	-47.2	-178.1	171.2	-114.7	0	0	0	114.3	F80 V88 G92 I93 L94 L241 L288 F305 I307	F80-W90 HydrophobicContact CE1-CE3 4.18Å; F80-W90 HydrophobicContact CE1-CH2 4.26Å; F80-W90 AromaticContact CE1-CZ3 3.53Å; F80-W90 HydrophobicContact CE1-CZ3 3.53Å; F80-W90 HydrophobicContact CZ-CH2 4.13Å; F80-W90 AromaticContact CZ-CZ3 3.59Å; F80-W90 HydrophobicContact CZ-CZ3 3.59Å; V88-W90 PolarHBondContact O-N 3.48Å; W90-G92 VanDerWaalsContact C-N 3.26Å; W90-G92 PolarHBondContact O-N 3.21Å; W90-I93 HydrophobicContact CZ3-CG2 4.47Å; W90-I93 WeakPolarHBondContact O-CB 3.38Å; W90-I93 PolarHBondContact O-N 3.02Å; W90-I93 VanDerWaalsContact O-N 3.13Å; W90-L94 HydrophobicContact CZ2-CB 4.24Å; W90-L94 HydrophobicContact CZ2-CD2 4.02Å; W90-L94 PolarHBondContact O-N 3.39Å; W90-L241 HydrophobicContact CH2-CD1 4.06Å; W90-L241 HydrophobicContact CH2-CD2 3.8Å; W90-L241 HydrophobicContact CH2-CG 4.41Å; W90-L241 HydrophobicContact CZ3-CD2 4.28Å; W90-L288 HydrophobicContact CH2-CD1 3.9Å; W90-L288 HydrophobicContact CZ2-CD1 4.02Å; W90-F305 HydrophobicContact CZ2-CB 3.93Å; W90-I307 HydrophobicContact CD2-CD1 4.14Å; W90-I307 HydrophobicContact CD2-CG1 3.7Å; W90-I307 HydrophobicContact CE3-CD1 4.08Å; W90-I307 HydrophobicContact CE3-CG1 4.15Å; W90-I307 HydrophobicContact CG-CG1 4.1Å; W90-I307 HydrophobicContact CH2-CD1 3.88Å; W90-I307 HydrophobicContact CH2-CG1 4.3Å; W90-I307 HydrophobicContact CZ2-CD1 3.95Å; W90-I307 HydrophobicContact CZ2-CG1 3.89Å; W90-I307 HydrophobicContact CZ3-CD1 3.97Å; W90-I307 HydrophobicContact CZ3-CG1 4.44Å
91	K	97.8	Very high	98.4	Very high	98 Å²	98	21.2 Å²	21.2	43%	0.426	9%	0.09	S	C	.	.	H	α-helix	trans	-57	-41.4	-179	-172.8	-176.7	-174.2	-172.4	0	111.7	F89 L94 E95 K113 V115	F89-K91 HydrophobicContact CD2-CB 4.48Å; F89-K91 HydrophobicContact CE2-CB 3.84Å; F89-K91 HydrophobicContact CZ-CB 3.99Å; F89-K91 PolarHBondContact O-N 3.04Å; K91-L94 PolarHBondContact O-N 3.03Å; K91-E95 HydrophobicContact CG-CG 4.11Å; K91-E95 WeakPolarHBondContact O-CB 3.38Å; K91-E95 VanDerWaalsContact O-CG 3.25Å; K91-E95 WeakPolarHBondContact O-CG 3.45Å; K91-E95 PolarHBondContact O-N 2.88Å; K91-K113 WeakPolarHBondContact CE-O 3.41Å; K91-K113 PolarHBondContact NZ-O 2.93Å; K91-V115 HydrophobicContact CG-CG2 4.42Å
92	G	98.1	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.9	-46.1	177.8	0	0	0	0	0	112.4	F89 W90 E96	F89-G92 PolarHBondContact O-N 3.36Å; F89-G92 VanDerWaalsContact O-N 3.12Å; W90-G92 VanDerWaalsContact C-N 3.26Å; W90-G92 PolarHBondContact O-N 3.21Å; G92-E96 WeakPolarHBondContact O-CB 3.42Å; G92-E96 PolarHBondContact O-N 2.77Å
93	I	98.6	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.4	-49	178.1	-66.4	156.8	0	0	0	111.1	L82 V88 F89 W90 L97 F234 A237	L82-I93 HydrophobicContact CD1-CD1 4.14Å; V88-I93 HydrophobicContact CG1-CD1 3.52Å; F89-I93 PolarHBondContact O-N 2.9Å; W90-I93 HydrophobicContact CZ3-CG2 4.47Å; W90-I93 WeakPolarHBondContact O-CB 3.38Å; W90-I93 PolarHBondContact O-N 3.02Å; W90-I93 VanDerWaalsContact O-N 3.13Å; I93-L97 WeakPolarHBondContact O-CB 3.49Å; I93-L97 PolarHBondContact O-N 3.4Å; I93-L97 VanDerWaalsContact O-N 3.07Å; I93-F234 HydrophobicContact CD1-CD1 4.25Å; I93-F234 HydrophobicContact CD1-CG 4.49Å; I93-F234 HydrophobicContact CG1-CB 4.34Å; I93-F234 HydrophobicContact CG1-CD1 3.36Å; I93-F234 HydrophobicContact CG1-CE1 3.83Å; I93-F234 HydrophobicContact CG1-CG 3.96Å; I93-A237 HydrophobicContact CD1-CB 3.68Å; I93-A237 HydrophobicContact CG1-CB 4.48Å; I93-A237 HydrophobicContact CG2-CB 4.07Å
94	L	98.7	Very high	98.4	Very high	7 Å²	7	28 Å²	28	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-64.7	-50.5	-176.4	173.6	56.4	0	0	0	111.6	W90 K91 L97 L98 L241 A302 F305	W90-L94 HydrophobicContact CZ2-CB 4.24Å; W90-L94 HydrophobicContact CZ2-CD2 4.02Å; W90-L94 PolarHBondContact O-N 3.39Å; K91-L94 PolarHBondContact O-N 3.03Å; L94-L97 PolarHBondContact O-N 2.68Å; L94-L98 HydrophobicContact CD1-CD1 4.09Å; L94-L98 HydrophobicContact CD1-CG 4.22Å; L94-L98 HydrophobicContact CG-CD1 4.35Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 3.02Å; L94-L241 HydrophobicContact CB-CD2 4.47Å; L94-L241 HydrophobicContact CD1-CD2 3.73Å; L94-A302 HydrophobicContact CD2-CB 3.91Å; L94-A302 WeakPolarHBondContact CD2-O 3.06Å; L94-A302 HydrophobicContact CG-CB 4.32Å; L94-F305 HydrophobicContact CD1-CD2 3.41Å; L94-F305 VanDerWaalsContact CD1-CD2 3.41Å; L94-F305 HydrophobicContact CD1-CE2 3.64Å; L94-F305 HydrophobicContact CD1-CG 4.02Å; L94-F305 HydrophobicContact CD1-CZ 4.42Å; L94-F305 HydrophobicContact CD2-CB 4.2Å; L94-F305 HydrophobicContact CD2-CD2 4.05Å; L94-F305 HydrophobicContact CD2-CG 4.45Å; L94-F305 HydrophobicContact CG-CD2 4.37Å
95	E	98.7	Very high	98.4	Very high	13 Å²	13	28.3 Å²	28.3	6%	0.061	13%	0.126	C	C	.	.	H	α-helix	trans	-68.4	-37.3	-177.2	-65.3	-72	-168.4	0	0	112.4	K91 L98 W99 L110 K113 V115 A302	K91-E95 HydrophobicContact CG-CG 4.11Å; K91-E95 WeakPolarHBondContact O-CB 3.38Å; K91-E95 VanDerWaalsContact O-CG 3.25Å; K91-E95 WeakPolarHBondContact O-CG 3.45Å; K91-E95 PolarHBondContact O-N 2.88Å; E95-L98 PolarHBondContact O-N 3.32Å; E95-W99 VanDerWaalsContact O-CB 3.27Å; E95-W99 WeakPolarHBondContact O-CB 3.42Å; E95-W99 PolarHBondContact O-N 3.34Å; E95-L110 HydrophobicContact CB-CD2 4.13Å; E95-K113 HydrophobicContact CG-CD 4.33Å; E95-K113 IonicContact OE1-NZ 2.8Å; E95-K113 VanDerWaalsContact OE2-CD 3.31Å; E95-K113 WeakPolarHBondContact OE2-CD 3.25Å; E95-K113 IonicContact OE2-NZ 3.86Å; E95-K113 PolarHBondContact OE2-NZ 2.89Å; E95-V115 HydrophobicContact CB-CG2 4.03Å; E95-V115 HydrophobicContact CG-CG2 4.2Å; E95-A302 WeakPolarHBondContact OE1-CB 3.07Å
96	E	98.7	Very high	98.3	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.065	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-43.8	174.1	-174.6	-173.8	-133.2	0	0	111.5	G92 W99 F100 I117 W118	G92-E96 WeakPolarHBondContact O-CB 3.42Å; G92-E96 PolarHBondContact O-N 2.77Å; E96-W99 WeakPolarHBondContact O-CB 3.33Å; E96-W99 PolarHBondContact O-N 2.93Å; E96-F100 HydrophobicContact CG-CD2 4.16Å; E96-F100 HydrophobicContact CG-CE1 4.18Å; E96-F100 HydrophobicContact CG-CE2 3.54Å; E96-F100 HydrophobicContact CG-CZ 3.54Å; E96-F100 WeakPolarHBondContact O-CD2 3.39Å; E96-F100 WeakPolarHBondContact O-CG 3.31Å; E96-F100 PolarHBondContact O-N 2.84Å; E96-I117 HydrophobicContact CB-CD1 3.9Å; E96-I117 VanDerWaalsContact CD-CD1 3.4Å; E96-I117 HydrophobicContact CG-CD1 3.93Å; E96-I117 VanDerWaalsContact OE1-CD1 3.26Å; E96-I117 WeakPolarHBondContact OE1-CD1 3.42Å; E96-W118 PolarHBondContact OE1-NE1 2.74Å
97	L	98.8	Very high	98.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-42.6	178.1	-177.6	64.2	0	0	0	111.8	I93 L94 W99 F100 I101 W148 L241 L242 M245	I93-L97 WeakPolarHBondContact O-CB 3.49Å; I93-L97 PolarHBondContact O-N 3.4Å; I93-L97 VanDerWaalsContact O-N 3.07Å; L94-L97 PolarHBondContact O-N 2.68Å; L97-W99 VanDerWaalsContact C-N 3.26Å; L97-W99 PolarHBondContact O-N 2.91Å; L97-F100 PolarHBondContact O-N 2.94Å; L97-I101 HydrophobicContact CD1-CD1 4.37Å; L97-I101 HydrophobicContact CG-CD1 3.96Å; L97-I101 WeakPolarHBondContact O-CB 3.36Å; L97-I101 VanDerWaalsContact O-CG1 3.29Å; L97-I101 WeakPolarHBondContact O-CG1 3.36Å; L97-I101 PolarHBondContact O-N 2.8Å; L97-W148 HydrophobicContact CD1-CH2 4.07Å; L97-W148 HydrophobicContact CD1-CZ3 4.07Å; L97-L241 HydrophobicContact CD2-CB 3.86Å; L97-L241 HydrophobicContact CD2-CD2 3.61Å; L97-L241 HydrophobicContact CD2-CG 3.55Å; L97-L242 HydrophobicContact CD1-CB 4.15Å; L97-L242 HydrophobicContact CD1-CD1 4.36Å; L97-L242 HydrophobicContact CD2-CB 4.07Å; L97-M245 HydrophobicContact CD2-SD 3.7Å; L97-M245 HydrophobicContact CG-SD 4.47Å
98	L	98.8	Very high	98.3	Very high	10 Å²	10	26.3 Å²	26.3	5%	0.052	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-37.1	174.8	-67.6	176.8	0	0	0	111.5	L94 E95 I101 K102 M245 F300 A302	L94-L98 HydrophobicContact CD1-CD1 4.09Å; L94-L98 HydrophobicContact CD1-CG 4.22Å; L94-L98 HydrophobicContact CG-CD1 4.35Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 3.02Å; E95-L98 PolarHBondContact O-N 3.32Å; L98-I101 PolarHBondContact O-N 3.45Å; L98-K102 WeakPolarHBondContact O-CG 3.48Å; L98-K102 PolarHBondContact O-N 3.12Å; L98-M245 HydrophobicContact CD2-CE 3.91Å; L98-F300 HydrophobicContact CD2-CB 3.84Å; L98-A302 HydrophobicContact CD1-CB 4.3Å
99	W	98.7	Very high	98.2	Very high	7 Å²	7	29 Å²	29	3%	0.027	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-44.5	174.8	177.1	83.7	0	0	0	112.3	E95 E96 L97 K102 G103 S104 T105 N106 L110 L140 V143	E95-W99 VanDerWaalsContact O-CB 3.27Å; E95-W99 WeakPolarHBondContact O-CB 3.42Å; E95-W99 PolarHBondContact O-N 3.34Å; E96-W99 WeakPolarHBondContact O-CB 3.33Å; E96-W99 PolarHBondContact O-N 2.93Å; L97-W99 VanDerWaalsContact C-N 3.26Å; L97-W99 PolarHBondContact O-N 2.91Å; W99-K102 PolarHBondContact O-N 3.47Å; W99-G103 PolarHBondContact O-N 2.74Å; W99-S104 VanDerWaalsContact CD1-CB 3.46Å; W99-S104 VanDerWaalsContact CE2-O 3.29Å; W99-S104 WeakPolarHBondContact CZ2-O 3.21Å; W99-S104 VanDerWaalsContact NE1-CB 3.29Å; W99-S104 PolarHBondContact NE1-OG 3.14Å; W99-S104 PolarHBondContact O-N 2.93Å; W99-T105 VanDerWaalsContact CZ2-C 3.43Å; W99-N106 PolarHBondContact NE1-O 3.34Å; W99-L110 HydrophobicContact CB-CD2 3.83Å; W99-L110 HydrophobicContact CB-CG 4.32Å; W99-L110 HydrophobicContact CD2-CD1 3.96Å; W99-L110 HydrophobicContact CD2-CG 4.31Å; W99-L110 HydrophobicContact CE3-CD1 4.05Å; W99-L110 HydrophobicContact CG-CD1 4.17Å; W99-L110 HydrophobicContact CG-CD2 4.09Å; W99-L110 HydrophobicContact CG-CG 4.03Å; W99-L140 HydrophobicContact CH2-CD1 3.58Å; W99-L140 HydrophobicContact CZ2-CD1 3.99Å; W99-V143 HydrophobicContact CH2-CG2 3.91Å
100	F	98.8	Very high	98.3	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-60.2	-46.1	172	-65.6	-35.5	0	0	0	112.3	E96 L97 K102 G103 Y144 G145 W148 H205	E96-F100 HydrophobicContact CG-CD2 4.16Å; E96-F100 HydrophobicContact CG-CE1 4.18Å; E96-F100 HydrophobicContact CG-CE2 3.54Å; E96-F100 HydrophobicContact CG-CZ 3.54Å; E96-F100 WeakPolarHBondContact O-CD2 3.39Å; E96-F100 WeakPolarHBondContact O-CG 3.31Å; E96-F100 PolarHBondContact O-N 2.84Å; L97-F100 PolarHBondContact O-N 2.94Å; F100-K102 VanDerWaalsContact C-N 3.26Å; F100-K102 PolarHBondContact O-N 2.78Å; F100-G103 PolarHBondContact O-N 2.82Å; F100-Y144 HydrophobicContact CD1-CD2 4.33Å; F100-Y144 HydrophobicContact CD1-CG 4.34Å; F100-Y144 AromaticContact CE1-CD2 3.4Å; F100-Y144 HydrophobicContact CE1-CD2 3.4Å; F100-Y144 VanDerWaalsContact CE1-CD2 3.4Å; F100-Y144 HydrophobicContact CE1-CE2 4.32Å; F100-Y144 AromaticContact CE1-CG 3.75Å; F100-Y144 HydrophobicContact CE1-CG 3.75Å; F100-Y144 AromaticContact CZ-CD2 3.7Å; F100-Y144 HydrophobicContact CZ-CD2 3.7Å; F100-Y144 HydrophobicContact CZ-CE2 4.27Å; F100-Y144 HydrophobicContact CZ-CG 4.01Å; F100-G145 WeakPolarHBondContact O-CA 3.28Å; F100-W148 HydrophobicContact CB-CE3 4.08Å; F100-W148 HydrophobicContact CB-CH2 4.23Å; F100-W148 HydrophobicContact CB-CZ3 3.83Å; F100-W148 HydrophobicContact CD2-CH2 4.3Å; F100-H205 AromaticContact CE2-CE1 3.89Å
101	I	98.8	Very high	98.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-58.3	-41.5	179.4	-74.3	166.3	0	0	0	110.3	L97 L98 G103 W148 R149 L170 L242 M245 I297	L97-I101 HydrophobicContact CD1-CD1 4.37Å; L97-I101 HydrophobicContact CG-CD1 3.96Å; L97-I101 WeakPolarHBondContact O-CB 3.36Å; L97-I101 VanDerWaalsContact O-CG1 3.29Å; L97-I101 WeakPolarHBondContact O-CG1 3.36Å; L97-I101 PolarHBondContact O-N 2.8Å; L98-I101 PolarHBondContact O-N 3.45Å; I101-G103 PolarHBondContact O-N 2.8Å; I101-W148 HydrophobicContact CG1-CZ3 4.49Å; I101-R149 WeakPolarHBondContact O-CD 3.24Å; I101-R149 PolarHBondContact O-NH1 3.27Å; I101-L170 HydrophobicContact CB-CD2 4.3Å; I101-L170 HydrophobicContact CG1-CD2 4.11Å; I101-L170 HydrophobicContact CG2-CD2 4.01Å; I101-L242 HydrophobicContact CD1-CD1 4.34Å; I101-M245 HydrophobicContact CD1-CE 3.35Å; I101-M245 HydrophobicContact CD1-SD 3.9Å; I101-I297 HydrophobicContact CD1-CD1 4.23Å; I101-I297 HydrophobicContact CD1-CG1 4.13Å; I101-I297 HydrophobicContact CG1-CG1 4.42Å; I101-I297 HydrophobicContact CG2-CG1 3.93Å; I101-I297 HydrophobicContact CG2-CG2 4.35Å
102	K	98.1	Very high	98.2	Very high	122 Å²	122	27.5 Å²	27.5	53%	0.53	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.9	177.3	-73.3	177.9	-178.7	-170	0	114.4	L98 W99 F100 S104	L98-K102 WeakPolarHBondContact O-CG 3.48Å; L98-K102 PolarHBondContact O-N 3.12Å; W99-K102 PolarHBondContact O-N 3.47Å; F100-K102 VanDerWaalsContact C-N 3.26Å; F100-K102 PolarHBondContact O-N 2.78Å; K102-S104 VanDerWaalsContact C-N 3.26Å; K102-S104 PolarHBondContact O-N 2.84Å
103	G	98.4	Very high	98.1	Very high	9 Å²	9	31.5 Å²	31.5	9%	0.093	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	8.9	-175.7	0	0	0	0	0	114.3	W99 F100 I101	W99-G103 PolarHBondContact O-N 2.74Å; F100-G103 PolarHBondContact O-N 2.82Å; I101-G103 PolarHBondContact O-N 2.8Å
104	S	98.3	Very high	98	Very high	16 Å²	16	33.6 Å²	33.6	11%	0.112	18%	0.175	C	C	.	.			trans	-70.2	149	-178.1	-179.2	0	0	0	0	111.4	W99 K102 N106 E109	W99-S104 VanDerWaalsContact CD1-CB 3.46Å; W99-S104 VanDerWaalsContact CE2-O 3.29Å; W99-S104 WeakPolarHBondContact CZ2-O 3.21Å; W99-S104 VanDerWaalsContact NE1-CB 3.29Å; W99-S104 PolarHBondContact NE1-OG 3.14Å; W99-S104 PolarHBondContact O-N 2.93Å; K102-S104 VanDerWaalsContact C-N 3.26Å; K102-S104 PolarHBondContact O-N 2.84Å; S104-N106 PolarHBondContact OG-N 2.84Å; S104-E109 PolarHBondContact OG-OE1 2.91Å; S104-E109 PolarHBondContact OG-OE2 3.16Å
105	T	98.4	Very high	98	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.031	17%	0.173	C	C	.	.			trans	-125.8	6.5	176.8	64.6	0	0	0	0	112.1	W99 L140 G141 V143 F146 Y155 M158	W99-T105 VanDerWaalsContact CZ2-C 3.43Å; T105-L140 PolarHBondContact O-N 2.66Å; T105-L140 VanDerWaalsContact O-N 3.11Å; T105-G141 VanDerWaalsContact CB-O 3.24Å; T105-G141 WeakPolarHBondContact CB-O 3.18Å; T105-G141 WeakPolarHBondContact CG2-O 3.47Å; T105-V143 HydrophobicContact CG2-CG2 4.27Å; T105-F146 HydrophobicContact CG2-CB 3.68Å; T105-F146 HydrophobicContact CG2-CG 4.48Å; T105-Y155 HydrophobicContact CG2-CE2 4.08Å; T105-Y155 PolarHBondContact OG1-OH 3.11Å; T105-M158 WeakPolarHBondContact OG1-CB 3.44Å
106	N	98.3	Very high	97.8	Very high	22 Å²	22	39.6 Å²	39.6	12%	0.118	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-90.9	109	178.4	-177.6	-2	0	0	0	110.7	W99 S104 K108 E109 M158	W99-N106 PolarHBondContact NE1-O 3.34Å; S104-N106 PolarHBondContact OG-N 2.84Å; N106-K108 PolarHBondContact O-N 3.23Å; N106-K108 VanDerWaalsContact OD1-CB 3.24Å; N106-K108 WeakPolarHBondContact OD1-CB 3.3Å; N106-K108 PolarHBondContact OD1-N 3.47Å; N106-E109 HydrophobicContact CB-CG 4.25Å; N106-E109 PolarHBondContact O-N 3.45Å; N106-M158 HydrophobicContact CB-CB 4.18Å; N106-M158 HydrophobicContact CB-CG 4.23Å; N106-M158 HydrophobicContact CB-SD 3.55Å; N106-M158 VanDerWaalsContact CB-SD 3.55Å; N106-M158 PolarHBondContact OD1-SD 3.38Å
107	A	97.4	Very high	97.6	Very high	3 Å²	3	41.2 Å²	41.2	3%	0.025	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.9	178.6	0	0	0	0	0	113	E109 L110 S111 W118 G138 L140	A107-E109 PolarHBondContact O-N 3.29Å; A107-L110 WeakPolarHBondContact O-CB 3.07Å; A107-L110 PolarHBondContact O-N 2.9Å; A107-S111 PolarHBondContact O-N 3.12Å; A107-S111 PolarHBondContact O-OG 3.41Å; A107-W118 HydrophobicContact CB-CB 3.99Å; A107-G138 WeakPolarHBondContact CB-O 3.4Å; A107-G138 PolarHBondContact N-O 3.4Å; A107-L140 HydrophobicContact CB-CD1 3.97Å; A107-L140 HydrophobicContact CB-CD2 4.42Å; A107-L140 HydrophobicContact CB-CG 4.14Å
108	K	97.3	Very high	97.4	Very high	70 Å²	70	41.9 Å²	41.9	30%	0.304	21%	0.212	S	C	.	.	H	α-helix	trans	-63.2	-30.5	-177.4	-65.7	165.8	167.8	154.8	0	112.2	N106 L110 S111 E112 E136 E137	N106-K108 PolarHBondContact O-N 3.23Å; N106-K108 VanDerWaalsContact OD1-CB 3.24Å; N106-K108 WeakPolarHBondContact OD1-CB 3.3Å; N106-K108 PolarHBondContact OD1-N 3.47Å; K108-L110 PolarHBondContact O-N 2.92Å; K108-S111 PolarHBondContact O-N 2.83Å; K108-S111 VanDerWaalsContact O-N 3.15Å; K108-E112 WeakPolarHBondContact O-CB 3.46Å; K108-E112 VanDerWaalsContact O-CG 3.28Å; K108-E112 WeakPolarHBondContact O-CG 3.14Å; K108-E112 PolarHBondContact O-N 3.5Å; K108-E136 IonicContact NZ-OE1 2.87Å; K108-E136 PolarHBondContact NZ-OE1 3.18Å; K108-E137 WeakPolarHBondContact CE-O 3.34Å; K108-E137 PolarHBondContact NZ-O 2.92Å
109	E	97.7	Very high	97.3	Very high	69 Å²	69	44 Å²	44	32%	0.322	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-36.5	174.8	-68	-179.3	-153	0	0	112.3	S104 N106 A107	S104-E109 PolarHBondContact OG-OE1 2.91Å; S104-E109 PolarHBondContact OG-OE2 3.16Å; N106-E109 HydrophobicContact CB-CG 4.25Å; N106-E109 PolarHBondContact O-N 3.45Å; A107-E109 PolarHBondContact O-N 3.29Å
110	L	97.6	Very high	97	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-74.7	-44.1	175.2	-67.5	174.5	0	0	0	110.6	E95 W99 A107 K108 E112 K113 G114 V115 W118	E95-L110 HydrophobicContact CB-CD2 4.13Å; W99-L110 HydrophobicContact CB-CD2 3.83Å; W99-L110 HydrophobicContact CB-CG 4.32Å; W99-L110 HydrophobicContact CD2-CD1 3.96Å; W99-L110 HydrophobicContact CD2-CG 4.31Å; W99-L110 HydrophobicContact CE3-CD1 4.05Å; W99-L110 HydrophobicContact CG-CD1 4.17Å; W99-L110 HydrophobicContact CG-CD2 4.09Å; W99-L110 HydrophobicContact CG-CG 4.03Å; A107-L110 WeakPolarHBondContact O-CB 3.07Å; A107-L110 PolarHBondContact O-N 2.9Å; K108-L110 PolarHBondContact O-N 2.92Å; L110-E112 VanDerWaalsContact C-N 3.31Å; L110-E112 PolarHBondContact O-N 3.46Å; L110-K113 CarbonylContact O-C 3.52Å; L110-K113 WeakPolarHBondContact O-CA 3.45Å; L110-K113 WeakPolarHBondContact O-CB 3.21Å; L110-K113 PolarHBondContact O-N 3.3Å; L110-G114 PolarHBondContact O-N 3.23Å; L110-V115 CarbonylContact C-O 3.52Å; L110-V115 HydrophobicContact CB-CB 4.15Å; L110-V115 HydrophobicContact CB-CG1 4.31Å; L110-V115 WeakPolarHBondContact CB-O 3.37Å; L110-V115 HydrophobicContact CD2-CG1 4.41Å; L110-V115 WeakPolarHBondContact O-CB 3.38Å; L110-V115 PolarHBondContact O-N 2.75Å; L110-W118 HydrophobicContact CD1-CG 4.41Å
111	S	96.3	Very high	96.8	Very high	38 Å²	38	45.8 Å²	45.8	27%	0.266	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-39.9	-179.7	-44.6	0	0	0	0	111.8	A107 K108 K113 G114 V115 D119	A107-S111 PolarHBondContact O-N 3.12Å; A107-S111 PolarHBondContact O-OG 3.41Å; K108-S111 PolarHBondContact O-N 2.83Å; K108-S111 VanDerWaalsContact O-N 3.15Å; S111-K113 PolarHBondContact O-N 2.96Å; S111-G114 WeakPolarHBondContact O-CA 3.36Å; S111-G114 PolarHBondContact O-N 3.24Å; S111-V115 WeakPolarHBondContact CA-O 3.46Å; S111-V115 PolarHBondContact N-O 3.35Å; S111-D119 PolarHBondContact OG-OD1 3.09Å
112	E	97.3	Very high	96.6	Very high	165 Å²	165	45.8 Å²	45.8	77%	0.771	24%	0.238	S	C	*	.	H	α-helix	trans	-60.1	-30.4	174.7	-75.8	171.3	-172.4	0	0	112.6	K108 L110 G114	K108-E112 WeakPolarHBondContact O-CB 3.46Å; K108-E112 VanDerWaalsContact O-CG 3.28Å; K108-E112 WeakPolarHBondContact O-CG 3.14Å; K108-E112 PolarHBondContact O-N 3.5Å; L110-E112 VanDerWaalsContact C-N 3.31Å; L110-E112 PolarHBondContact O-N 3.46Å; E112-G114 VanDerWaalsContact C-N 3.27Å; E112-G114 PolarHBondContact O-N 2.7Å
113	K	97.1	Very high	96.6	Very high	84 Å²	84	41.5 Å²	41.5	37%	0.365	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	4.7	173.4	-65	178.7	170.3	-172.1	0	113.3	K91 E95 L110 S111 V115	K91-K113 WeakPolarHBondContact CE-O 3.41Å; K91-K113 PolarHBondContact NZ-O 2.93Å; E95-K113 HydrophobicContact CG-CD 4.33Å; E95-K113 IonicContact OE1-NZ 2.8Å; E95-K113 VanDerWaalsContact OE2-CD 3.31Å; E95-K113 WeakPolarHBondContact OE2-CD 3.25Å; E95-K113 IonicContact OE2-NZ 3.86Å; E95-K113 PolarHBondContact OE2-NZ 2.89Å; L110-K113 CarbonylContact O-C 3.52Å; L110-K113 WeakPolarHBondContact O-CA 3.45Å; L110-K113 WeakPolarHBondContact O-CB 3.21Å; L110-K113 PolarHBondContact O-N 3.3Å; S111-K113 PolarHBondContact O-N 2.96Å; K113-V115 VanDerWaalsContact C-N 3.33Å
114	G	96.9	Very high	96.5	Very high	45 Å²	45	44 Å²	44	46%	0.464	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	19.2	-177.2	0	0	0	0	0	113.9	L110 S111 E112	L110-G114 PolarHBondContact O-N 3.23Å; S111-G114 WeakPolarHBondContact O-CA 3.36Å; S111-G114 PolarHBondContact O-N 3.24Å; E112-G114 VanDerWaalsContact C-N 3.27Å; E112-G114 PolarHBondContact O-N 2.7Å
115	V	97.3	Very high	96.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.			trans	-103	108.8	176.1	177.4	0	0	0	0	108.8	F89 K91 E95 L110 S111 K113 I117	F89-V115 HydrophobicContact CE1-CG2 4.35Å; F89-V115 HydrophobicContact CZ-CG2 4.48Å; K91-V115 HydrophobicContact CG-CG2 4.42Å; E95-V115 HydrophobicContact CB-CG2 4.03Å; E95-V115 HydrophobicContact CG-CG2 4.2Å; L110-V115 CarbonylContact C-O 3.52Å; L110-V115 HydrophobicContact CB-CB 4.15Å; L110-V115 HydrophobicContact CB-CG1 4.31Å; L110-V115 WeakPolarHBondContact CB-O 3.37Å; L110-V115 HydrophobicContact CD2-CG1 4.41Å; L110-V115 WeakPolarHBondContact O-CB 3.38Å; L110-V115 PolarHBondContact O-N 2.75Å; S111-V115 WeakPolarHBondContact CA-O 3.46Å; S111-V115 PolarHBondContact N-O 3.35Å; K113-V115 VanDerWaalsContact C-N 3.33Å; V115-I117 HydrophobicContact CG1-CD1 4.01Å; V115-I117 HydrophobicContact CG1-CG1 4Å; V115-I117 HydrophobicContact CG1-CG2 4.45Å
116	K	95.8	Very high	96.3	Very high	145 Å²	145	50 Å²	50	63%	0.63	26%	0.26	S	S	*	.			trans	-106.9	15.2	-167.6	-61.1	-167.1	174.7	-164	0	115.1	W118 D119	K116-W118 PolarHBondContact O-N 3.34Å; K116-D119 WeakPolarHBondContact CA-OD1 3.08Å; K116-D119 HydrophobicContact CB-CB 4.49Å; K116-D119 VanDerWaalsContact CB-OD2 3.26Å; K116-D119 WeakPolarHBondContact CB-OD2 3.35Å; K116-D119 WeakPolarHBondContact CD-OD2 3.32Å; K116-D119 VanDerWaalsContact CG-OD2 3.26Å; K116-D119 WeakPolarHBondContact CG-OD2 3.33Å; K116-D119 PolarHBondContact O-N 3.49Å
117	I	93.8	Very high	96.3	Very high	49 Å²	49	49 Å²	49	25%	0.251	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.2	-171.3	63.4	-174.2	0	0	0	113	E96 V115 F234	E96-I117 HydrophobicContact CB-CD1 3.9Å; E96-I117 VanDerWaalsContact CD-CD1 3.4Å; E96-I117 HydrophobicContact CG-CD1 3.93Å; E96-I117 VanDerWaalsContact OE1-CD1 3.26Å; E96-I117 WeakPolarHBondContact OE1-CD1 3.42Å; V115-I117 HydrophobicContact CG1-CD1 4.01Å; V115-I117 HydrophobicContact CG1-CG1 4Å; V115-I117 HydrophobicContact CG1-CG2 4.45Å; I117-F234 HydrophobicContact CG2-CE1 4.45Å
118	W	95.8	Very high	96.3	Very high	14 Å²	14	51.9 Å²	51.9	5%	0.053	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-5.2	178	-74.3	100	0	0	0	114.1	E96 A107 L110 K116 A120 N121 G122 L140 Y144 L201	E96-W118 PolarHBondContact OE1-NE1 2.74Å; A107-W118 HydrophobicContact CB-CB 3.99Å; L110-W118 HydrophobicContact CD1-CG 4.41Å; K116-W118 PolarHBondContact O-N 3.34Å; W118-A120 VanDerWaalsContact C-N 3.3Å; W118-A120 PolarHBondContact O-N 3.03Å; W118-N121 HydrophobicContact CE3-CB 3.96Å; W118-N121 HydrophobicContact CZ3-CB 4.25Å; W118-N121 PolarHBondContact O-N 3.12Å; W118-N121 VanDerWaalsContact O-N 3.16Å; W118-G122 PolarHBondContact O-N 3.1Å; W118-L140 HydrophobicContact CB-CD1 4.09Å; W118-L140 HydrophobicContact CD2-CD1 3.79Å; W118-L140 HydrophobicContact CE3-CD1 3.63Å; W118-L140 HydrophobicContact CE3-CD2 3.97Å; W118-L140 HydrophobicContact CE3-CG 4.43Å; W118-L140 HydrophobicContact CG-CD1 3.98Å; W118-L140 HydrophobicContact CZ3-CD1 4.43Å; W118-Y144 HydrophobicContact CH2-CD2 4.43Å; W118-Y144 AromaticContact CH2-CE2 3.6Å; W118-Y144 HydrophobicContact CH2-CE2 3.6Å; W118-Y144 HydrophobicContact CZ2-CD2 4.23Å; W118-Y144 AromaticContact CZ2-CE2 3.63Å; W118-Y144 HydrophobicContact CZ2-CE2 3.63Å; W118-L201 HydrophobicContact CH2-CB 4.43Å; W118-L201 HydrophobicContact CH2-CD2 4.07Å; W118-L201 HydrophobicContact CZ3-CB 4.06Å; W118-L201 HydrophobicContact CZ3-CD2 4.13Å
119	D	94.9	Very high	96.2	Very high	55 Å²	55	55.2 Å²	55.2	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-56.3	-43.2	-174.5	-72.6	11.6	0	0	0	111.7	S111 K116 G122 S123	S111-D119 PolarHBondContact OG-OD1 3.09Å; K116-D119 WeakPolarHBondContact CA-OD1 3.08Å; K116-D119 HydrophobicContact CB-CB 4.49Å; K116-D119 VanDerWaalsContact CB-OD2 3.26Å; K116-D119 WeakPolarHBondContact CB-OD2 3.35Å; K116-D119 WeakPolarHBondContact CD-OD2 3.32Å; K116-D119 VanDerWaalsContact CG-OD2 3.26Å; K116-D119 WeakPolarHBondContact CG-OD2 3.33Å; K116-D119 PolarHBondContact O-N 3.49Å; D119-G122 PolarHBondContact O-N 3.28Å; D119-S123 PolarHBondContact O-N 3.46Å
120	A	93.5	Very high	96.1	Very high	32 Å²	32	55.7 Å²	55.7	26%	0.264	30%	0.295	S	S	.	.	H	α-helix	trans	-65.2	-45.2	-179.7	0	0	0	0	0	111.9	W118 G122 S123 F126 M320	W118-A120 VanDerWaalsContact C-N 3.3Å; W118-A120 PolarHBondContact O-N 3.03Å; A120-G122 VanDerWaalsContact C-N 3.31Å; A120-G122 PolarHBondContact O-N 3.35Å; A120-S123 PolarHBondContact O-N 2.78Å; A120-S123 PolarHBondContact O-OG 3.29Å; A120-F126 WeakPolarHBondContact O-CB 3.4Å; A120-M320 HydrophobicContact CB-CE 3.88Å
121	N	93.6	Very high	96.1	Very high	13 Å²	13	58.1 Å²	58.1	7%	0.07	32%	0.321	C	S	.	.	H	α-helix	trans	-73.2	-22.6	-179.4	-62.4	104.3	0	0	0	113.2	W118 F126 L140	W118-N121 HydrophobicContact CE3-CB 3.96Å; W118-N121 HydrophobicContact CZ3-CB 4.25Å; W118-N121 PolarHBondContact O-N 3.12Å; W118-N121 VanDerWaalsContact O-N 3.16Å; N121-F126 HydrophobicContact CB-CD1 4.48Å; N121-F126 HydrophobicContact CB-CE1 4.28Å; N121-F126 WeakPolarHBondContact ND2-CZ 2.94Å; N121-F126 WeakPolarHBondContact O-CD1 2.94Å; N121-L140 HydrophobicContact CB-CD2 4.31Å
122	G	95.2	Very high	96.1	Very high	2 Å²	2	58 Å²	58	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-93.6	-6.7	175	0	0	0	0	0	114.6	W118 D119 A120 E137 G138	W118-G122 PolarHBondContact O-N 3.1Å; D119-G122 PolarHBondContact O-N 3.28Å; A120-G122 VanDerWaalsContact C-N 3.31Å; A120-G122 PolarHBondContact O-N 3.35Å; G122-E137 WeakPolarHBondContact O-CG 3.29Å; G122-G138 PolarHBondContact O-N 2.84Å
123	S	97.1	Very high	96.1	Very high	32 Å²	32	54 Å²	54	22%	0.224	30%	0.303	C	S	.	.	S	Bend	trans	-63.1	150.5	-178	67.5	0	0	0	0	112.6	D119 A120 D125 F126 L127	D119-S123 PolarHBondContact O-N 3.46Å; A120-S123 PolarHBondContact O-N 2.78Å; A120-S123 PolarHBondContact O-OG 3.29Å; S123-D125 VanDerWaalsContact C-N 3.33Å; S123-D125 PolarHBondContact O-N 2.88Å; S123-F126 PolarHBondContact O-N 2.61Å; S123-F126 VanDerWaalsContact OG-CB 3.3Å; S123-F126 WeakPolarHBondContact OG-CB 3.44Å; S123-F126 PolarHBondContact OG-N 2.79Å; S123-L127 WeakPolarHBondContact O-CG 3.43Å; S123-L127 PolarHBondContact O-N 3.02Å
124	R	97.6	Very high	96.1	Very high	63 Å²	63	58.7 Å²	58.7	24%	0.238	33%	0.326	C	S	.	.	H	α-helix	trans	-51.2	-50.5	176.3	-179.8	67.8	-79.7	151.3	-1.9	112.6	F126 L127 D128 F132 R135 E137	R124-F126 VanDerWaalsContact C-N 3.31Å; R124-F126 PolarHBondContact O-N 2.96Å; R124-L127 VanDerWaalsContact NH2-CB 3.26Å; R124-L127 PolarHBondContact O-N 3.37Å; R124-D128 IonicContact CZ-OD1 3.1Å; R124-D128 VanDerWaalsContact NE-CG 3.32Å; R124-D128 IonicContact NE-OD1 2.86Å; R124-D128 PolarHBondContact NE-OD1 3.08Å; R124-D128 IonicContact NE-OD2 3.28Å; R124-D128 PolarHBondContact NE-OD2 2.59Å; R124-D128 IonicContact NH2-OD1 2.71Å; R124-D128 PolarHBondContact NH2-OD1 2.86Å; R124-D128 VanDerWaalsContact O-CG 3.27Å; R124-D128 PolarHBondContact O-N 3.27Å; R124-F132 PolarHBondContact NH2-O 2.89Å; R124-R135 PolarHBondContact NH1-O 3.28Å; R124-R135 PolarHBondContact NH2-O 2.87Å; R124-E137 PolarHBondContact N-OE1 3.4Å
125	D	97.1	Very high	96.1	Very high	122 Å²	122	58.2 Å²	58.2	65%	0.652	31%	0.31	S	S	*	.	H	α-helix	trans	-59.5	-41.4	-178.9	-68.9	-10.7	0	0	0	112	S123 N129	S123-D125 VanDerWaalsContact C-N 3.33Å; S123-D125 PolarHBondContact O-N 2.88Å; D125-N129 WeakPolarHBondContact O-CB 3.43Å; D125-N129 PolarHBondContact O-N 3.22Å; D125-N129 PolarHBondContact O-ND2 2.99Å
126	F	95.4	Very high	96.1	Very high	25 Å²	25	62.2 Å²	62.2	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-69.2	-42.9	-179.9	-170.4	-88.5	0	0	0	111.8	A120 N121 S123 R124 N129 L130 A200 V322	A120-F126 WeakPolarHBondContact O-CB 3.4Å; N121-F126 HydrophobicContact CB-CD1 4.48Å; N121-F126 HydrophobicContact CB-CE1 4.28Å; N121-F126 WeakPolarHBondContact ND2-CZ 2.94Å; N121-F126 WeakPolarHBondContact O-CD1 2.94Å; S123-F126 PolarHBondContact O-N 2.61Å; S123-F126 VanDerWaalsContact OG-CB 3.3Å; S123-F126 WeakPolarHBondContact OG-CB 3.44Å; S123-F126 PolarHBondContact OG-N 2.79Å; R124-F126 VanDerWaalsContact C-N 3.31Å; R124-F126 PolarHBondContact O-N 2.96Å; F126-N129 PolarHBondContact O-N 3.44Å; F126-L130 HydrophobicContact CD1-CD1 3.89Å; F126-L130 HydrophobicContact CD1-CG 4.39Å; F126-L130 HydrophobicContact CE1-CD1 3.49Å; F126-L130 VanDerWaalsContact CE1-CD1 3.49Å; F126-L130 HydrophobicContact CE1-CG 4.16Å; F126-L130 HydrophobicContact CZ-CD1 4.34Å; F126-L130 WeakPolarHBondContact O-CG 3.39Å; F126-L130 PolarHBondContact O-N 2.81Å; F126-A200 WeakPolarHBondContact CE1-O 3.25Å; F126-V322 HydrophobicContact CD2-CG1 4.42Å; F126-V322 HydrophobicContact CE2-CG1 4.47Å
127	L	97.5	Very high	96.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-39.8	176.5	-67	-180	0	0	0	111.9	S123 R124 L130 G131 F132 R135 E136 A200	S123-L127 WeakPolarHBondContact O-CG 3.43Å; S123-L127 PolarHBondContact O-N 3.02Å; R124-L127 VanDerWaalsContact NH2-CB 3.26Å; R124-L127 PolarHBondContact O-N 3.37Å; L127-L130 PolarHBondContact O-N 2.87Å; L127-L130 VanDerWaalsContact O-N 3.17Å; L127-G131 PolarHBondContact O-N 3.44Å; L127-F132 HydrophobicContact CB-CB 4.35Å; L127-F132 HydrophobicContact CD2-CD2 4.14Å; L127-F132 PolarHBondContact O-N 2.98Å; L127-R135 HydrophobicContact CD1-CG 4.32Å; L127-E136 WeakPolarHBondContact CD1-O 3.43Å; L127-A200 HydrophobicContact CD2-CB 4.14Å
128	D	96.9	Very high	96.4	Very high	64 Å²	64	57.7 Å²	57.7	34%	0.342	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-40.5	176	-69.8	-10.7	0	0	0	111.9	R124 L130 G131	R124-D128 IonicContact CZ-OD1 3.1Å; R124-D128 VanDerWaalsContact NE-CG 3.32Å; R124-D128 IonicContact NE-OD1 2.86Å; R124-D128 PolarHBondContact NE-OD1 3.08Å; R124-D128 IonicContact NE-OD2 3.28Å; R124-D128 PolarHBondContact NE-OD2 2.59Å; R124-D128 IonicContact NH2-OD1 2.71Å; R124-D128 PolarHBondContact NH2-OD1 2.86Å; R124-D128 VanDerWaalsContact O-CG 3.27Å; R124-D128 PolarHBondContact O-N 3.27Å; D128-L130 PolarHBondContact O-N 2.85Å; D128-G131 WeakPolarHBondContact O-CA 3.38Å; D128-G131 PolarHBondContact O-N 2.95Å
129	N	95.7	Very high	96.6	Very high	140 Å²	140	57.3 Å²	57.3	75%	0.749	31%	0.309	S	S	*	.	H	α-helix	trans	-62.5	-25.6	174.5	-74.1	-32.3	0	0	0	113	D125 F126 G131	D125-N129 WeakPolarHBondContact O-CB 3.43Å; D125-N129 PolarHBondContact O-N 3.22Å; D125-N129 PolarHBondContact O-ND2 2.99Å; F126-N129 PolarHBondContact O-N 3.44Å; N129-G131 VanDerWaalsContact C-N 3.34Å
130	L	95.3	Very high	96.7	Very high	78 Å²	78	54.7 Å²	54.7	41%	0.408	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.9	172.3	-65.6	-179.3	0	0	0	113.6	F126 L127 D128 F132 A200	F126-L130 HydrophobicContact CD1-CD1 3.89Å; F126-L130 HydrophobicContact CD1-CG 4.39Å; F126-L130 HydrophobicContact CE1-CD1 3.49Å; F126-L130 VanDerWaalsContact CE1-CD1 3.49Å; F126-L130 HydrophobicContact CE1-CG 4.16Å; F126-L130 HydrophobicContact CZ-CD1 4.34Å; F126-L130 WeakPolarHBondContact O-CG 3.39Å; F126-L130 PolarHBondContact O-N 2.81Å; L127-L130 PolarHBondContact O-N 2.87Å; L127-L130 VanDerWaalsContact O-N 3.17Å; D128-L130 PolarHBondContact O-N 2.85Å; L130-F132 HydrophobicContact CB-CD2 3.7Å; L130-F132 HydrophobicContact CB-CE2 3.74Å; L130-F132 HydrophobicContact CB-CG 4.4Å; L130-F132 HydrophobicContact CB-CZ 4.44Å; L130-F132 HydrophobicContact CD1-CD2 4.17Å; L130-F132 HydrophobicContact CD1-CE2 3.84Å; L130-F132 HydrophobicContact CG-CE2 4.46Å; L130-A200 WeakPolarHBondContact CD1-O 3.39Å
131	G	97.4	Very high	97	Very high	55 Å²	55	53.1 Å²	53.1	57%	0.567	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	13.2	-177.6	0	0	0	0	0	114.5	L127 D128 N129 T133	L127-G131 PolarHBondContact O-N 3.44Å; D128-G131 WeakPolarHBondContact O-CA 3.38Å; D128-G131 PolarHBondContact O-N 2.95Å; N129-G131 VanDerWaalsContact C-N 3.34Å; G131-T133 VanDerWaalsContact C-N 3.33Å; G131-T133 PolarHBondContact O-N 2.85Å
132	F	97.4	Very high	97.2	Very high	34 Å²	34	52.5 Å²	52.5	15%	0.149	28%	0.279	C	S	.	.			trans	-91.7	55.1	178.8	-55.7	-42.8	0	0	0	112.2	R124 L127 L130 E134 R135 P197	R124-F132 PolarHBondContact NH2-O 2.89Å; L127-F132 HydrophobicContact CB-CB 4.35Å; L127-F132 HydrophobicContact CD2-CD2 4.14Å; L127-F132 PolarHBondContact O-N 2.98Å; L130-F132 HydrophobicContact CB-CD2 3.7Å; L130-F132 HydrophobicContact CB-CE2 3.74Å; L130-F132 HydrophobicContact CB-CG 4.4Å; L130-F132 HydrophobicContact CB-CZ 4.44Å; L130-F132 HydrophobicContact CD1-CD2 4.17Å; L130-F132 HydrophobicContact CD1-CE2 3.84Å; L130-F132 HydrophobicContact CG-CE2 4.46Å; F132-E134 VanDerWaalsContact C-N 3.27Å; F132-E134 PolarHBondContact O-N 2.94Å; F132-R135 HydrophobicContact CB-CB 3.79Å; F132-R135 WeakPolarHBondContact O-CB 3.33Å; F132-R135 PolarHBondContact O-N 2.84Å; F132-R135 VanDerWaalsContact O-N 3.15Å; F132-P197 WeakPolarHBondContact CZ-O 3.34Å
133	T	96.9	Very high	97.4	Very high	83 Å²	83	52.4 Å²	52.4	51%	0.509	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-30.7	-173.1	58.3	0	0	0	0	114	G131	G131-T133 VanDerWaalsContact C-N 3.33Å; G131-T133 PolarHBondContact O-N 2.85Å
134	E	96.3	Very high	97.4	Very high	181 Å²	181	51.1 Å²	51.1	85%	0.846	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-9.1	-179.9	-54.3	-53.3	129.9	0	0	113.6	F132	F132-E134 VanDerWaalsContact C-N 3.27Å; F132-E134 PolarHBondContact O-N 2.94Å
135	R	97.5	Very high	97.5	Very high	35 Å²	35	48.1 Å²	48.1	13%	0.132	26%	0.257	C	S	.	.	S	Bend	trans	-76.1	132.3	-179.4	-179.3	173	-57.4	-176.1	-2.2	109.9	R124 L127 F132 D139 I198	R124-R135 PolarHBondContact NH1-O 3.28Å; R124-R135 PolarHBondContact NH2-O 2.87Å; L127-R135 HydrophobicContact CD1-CG 4.32Å; F132-R135 HydrophobicContact CB-CB 3.79Å; F132-R135 WeakPolarHBondContact O-CB 3.33Å; F132-R135 PolarHBondContact O-N 2.84Å; F132-R135 VanDerWaalsContact O-N 3.15Å; R135-D139 WeakPolarHBondContact CD-O 3.32Å; R135-D139 HydrophobicContact CG-CB 3.6Å; R135-I198 VanDerWaalsContact CZ-O 3.23Å; R135-I198 PolarHBondContact NH1-O 2.68Å; R135-I198 PolarHBondContact NH2-O 3.44Å
136	E	98.3	Very high	97.5	Very high	84 Å²	84	42.3 Å²	42.3	39%	0.393	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-60.9	144.1	179.6	-163.7	-171.4	138.4	0	0	111.9	K108 L127 G138 D139 M158 H159	K108-E136 IonicContact NZ-OE1 2.87Å; K108-E136 PolarHBondContact NZ-OE1 3.18Å; L127-E136 WeakPolarHBondContact CD1-O 3.43Å; E136-G138 PolarHBondContact O-N 2.9Å; E136-D139 VanDerWaalsContact O-CB 3.27Å; E136-D139 WeakPolarHBondContact O-CB 3.49Å; E136-D139 PolarHBondContact O-N 2.77Å; E136-M158 HydrophobicContact CB-CE 3.97Å; E136-M158 HydrophobicContact CG-CE 3.97Å; E136-M158 VanDerWaalsContact OE1-CE 3.29Å; E136-M158 WeakPolarHBondContact OE1-CE 3.36Å; E136-M158 WeakPolarHBondContact OE2-CE 3.43Å; E136-H159 IonicContact OE2-CD2 3.7Å; E136-H159 IonicContact OE2-CE1 3.83Å; E136-H159 IonicContact OE2-NE2 2.8Å; E136-H159 PolarHBondContact OE2-NE2 3.1Å
137	E	98.3	Very high	97.7	Very high	96 Å²	96	41.1 Å²	41.1	45%	0.449	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	132	171.4	-176.6	172.5	-148.8	0	0	110.7	K108 G122 R124 D139	K108-E137 WeakPolarHBondContact CE-O 3.34Å; K108-E137 PolarHBondContact NZ-O 2.92Å; G122-E137 WeakPolarHBondContact O-CG 3.29Å; R124-E137 PolarHBondContact N-OE1 3.4Å; E137-D139 VanDerWaalsContact C-N 3.34Å
138	G	97.6	Very high	97.8	Very high	4 Å²	4	41.3 Å²	41.3	4%	0.041	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-12.3	-174.1	0	0	0	0	0	114.9	A107 G122 E136 L140	A107-G138 WeakPolarHBondContact CB-O 3.4Å; A107-G138 PolarHBondContact N-O 3.4Å; G122-G138 PolarHBondContact O-N 2.84Å; E136-G138 PolarHBondContact O-N 2.9Å; G138-L140 PolarHBondContact O-N 2.6Å
139	D	98.5	Very high	97.9	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.027	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-77.4	111.3	171.6	-177.6	-30.1	0	0	0	109.3	R135 E136 E137 G141 Y155 M158	R135-D139 WeakPolarHBondContact CD-O 3.32Å; R135-D139 HydrophobicContact CG-CB 3.6Å; E136-D139 VanDerWaalsContact O-CB 3.27Å; E136-D139 WeakPolarHBondContact O-CB 3.49Å; E136-D139 PolarHBondContact O-N 2.77Å; E137-D139 VanDerWaalsContact C-N 3.34Å; D139-G141 VanDerWaalsContact C-N 3.33Å; D139-G141 WeakPolarHBondContact OD1-CA 3.22Å; D139-G141 PolarHBondContact OD1-N 3.3Å; D139-Y155 PolarHBondContact OD1-OH 3.17Å; D139-Y155 PolarHBondContact OD2-OH 3.3Å; D139-M158 VanDerWaalsContact CA-SD 3.57Å; D139-M158 HydrophobicContact CB-CB 4.18Å; D139-M158 HydrophobicContact CB-CE 4.31Å; D139-M158 HydrophobicContact CB-CG 3.96Å; D139-M158 HydrophobicContact CB-SD 3.62Å; D139-M158 PolarHBondContact OD2-N 2.9Å
140	L	98.4	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.			trans	-86.7	-3.8	-177.9	-62.8	172	0	0	0	113.2	W99 T105 A107 W118 N121 G138 V143 A200	W99-L140 HydrophobicContact CH2-CD1 3.58Å; W99-L140 HydrophobicContact CZ2-CD1 3.99Å; T105-L140 PolarHBondContact O-N 2.66Å; T105-L140 VanDerWaalsContact O-N 3.11Å; A107-L140 HydrophobicContact CB-CD1 3.97Å; A107-L140 HydrophobicContact CB-CD2 4.42Å; A107-L140 HydrophobicContact CB-CG 4.14Å; W118-L140 HydrophobicContact CB-CD1 4.09Å; W118-L140 HydrophobicContact CD2-CD1 3.79Å; W118-L140 HydrophobicContact CE3-CD1 3.63Å; W118-L140 HydrophobicContact CE3-CD2 3.97Å; W118-L140 HydrophobicContact CE3-CG 4.43Å; W118-L140 HydrophobicContact CG-CD1 3.98Å; W118-L140 HydrophobicContact CZ3-CD1 4.43Å; N121-L140 HydrophobicContact CB-CD2 4.31Å; G138-L140 PolarHBondContact O-N 2.6Å; L140-V143 HydrophobicContact CB-CG1 4Å; L140-V143 HydrophobicContact CB-CG2 4.04Å; L140-V143 VanDerWaalsContact O-CG1 3.3Å; L140-V143 WeakPolarHBondContact O-CG1 3.14Å; L140-A200 HydrophobicContact CB-CB 4.3Å; L140-A200 HydrophobicContact CD2-CB 3.98Å; L140-A200 WeakPolarHBondContact O-CB 3.3Å; L140-A200 PolarHBondContact O-N 2.72Å
141	G	98.6	Very high	98.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.			trans	73.3	-167.1	-168.7	0	0	0	0	0	112.7	T105 D139 V143	T105-G141 VanDerWaalsContact CB-O 3.24Å; T105-G141 WeakPolarHBondContact CB-O 3.18Å; T105-G141 WeakPolarHBondContact CG2-O 3.47Å; D139-G141 VanDerWaalsContact C-N 3.33Å; D139-G141 WeakPolarHBondContact OD1-CA 3.22Å; D139-G141 PolarHBondContact OD1-N 3.3Å; G141-V143 PolarHBondContact O-N 2.86Å
142	P	98.6	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-77.2	61.9	-174.2	33.3	-37.9	0	0	0	112.9	F146 Q147 Y155 D195 I198 M199	P142-F146 HydrophobicContact CB-CB 4.24Å; P142-F146 HydrophobicContact CB-CD1 3.25Å; P142-F146 HydrophobicContact CB-CE1 3.61Å; P142-F146 HydrophobicContact CB-CG 3.77Å; P142-F146 HydrophobicContact CB-CZ 4.4Å; P142-Q147 WeakPolarHBondContact O-CG 3.17Å; P142-Q147 PolarHBondContact O-NE2 3.17Å; P142-Y155 HydrophobicContact CB-CD2 3.6Å; P142-Y155 HydrophobicContact CB-CE2 4.32Å; P142-Y155 HydrophobicContact CB-CG 3.86Å; P142-Y155 HydrophobicContact CG-CD2 4.25Å; P142-Y155 HydrophobicContact CG-CG 4.02Å; P142-D195 HydrophobicContact CG-CB 3.84Å; P142-I198 HydrophobicContact CG-CD1 3.65Å; P142-I198 HydrophobicContact CG-CG1 3.72Å; P142-M199 HydrophobicContact CG-CG 4.21Å; P142-M199 WeakPolarHBondContact O-CE 3.35Å
143	V	98.4	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.			trans	-75.6	-158.8	179.8	-63.7	0	0	0	0	111.9	W99 T105 L140 G141 G145 F146 Q147 M199	W99-V143 HydrophobicContact CH2-CG2 3.91Å; T105-V143 HydrophobicContact CG2-CG2 4.27Å; L140-V143 HydrophobicContact CB-CG1 4Å; L140-V143 HydrophobicContact CB-CG2 4.04Å; L140-V143 VanDerWaalsContact O-CG1 3.3Å; L140-V143 WeakPolarHBondContact O-CG1 3.14Å; G141-V143 PolarHBondContact O-N 2.86Å; V143-G145 PolarHBondContact O-N 3.45Å; V143-F146 PolarHBondContact O-N 3.35Å; V143-Q147 WeakPolarHBondContact O-CG 3.39Å; V143-Q147 PolarHBondContact O-N 3.11Å; V143-M199 HydrophobicContact CG1-CB 4.24Å; V143-M199 HydrophobicContact CG1-CG 4.34Å
144	Y	98.6	Very high	98.3	Very high	4 Å²	4	34 Å²	34	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-49.2	-58.5	-167.5	-52.1	-88.3	0	0	0	115	F100 W118 F146 Q147 W148 A190 P203 C204 H205	F100-Y144 HydrophobicContact CD1-CD2 4.33Å; F100-Y144 HydrophobicContact CD1-CG 4.34Å; F100-Y144 AromaticContact CE1-CD2 3.4Å; F100-Y144 HydrophobicContact CE1-CD2 3.4Å; F100-Y144 VanDerWaalsContact CE1-CD2 3.4Å; F100-Y144 HydrophobicContact CE1-CE2 4.32Å; F100-Y144 AromaticContact CE1-CG 3.75Å; F100-Y144 HydrophobicContact CE1-CG 3.75Å; F100-Y144 AromaticContact CZ-CD2 3.7Å; F100-Y144 HydrophobicContact CZ-CD2 3.7Å; F100-Y144 HydrophobicContact CZ-CE2 4.27Å; F100-Y144 HydrophobicContact CZ-CG 4.01Å; W118-Y144 HydrophobicContact CH2-CD2 4.43Å; W118-Y144 AromaticContact CH2-CE2 3.6Å; W118-Y144 HydrophobicContact CH2-CE2 3.6Å; W118-Y144 HydrophobicContact CZ2-CD2 4.23Å; W118-Y144 AromaticContact CZ2-CE2 3.63Å; W118-Y144 HydrophobicContact CZ2-CE2 3.63Å; Y144-F146 VanDerWaalsContact C-N 3.31Å; Y144-F146 PolarHBondContact O-N 3.01Å; Y144-Q147 PolarHBondContact O-N 2.84Å; Y144-Q147 VanDerWaalsContact O-N 3.1Å; Y144-W148 VanDerWaalsContact O-CG 3.31Å; Y144-W148 PolarHBondContact O-N 3.44Å; Y144-A190 HydrophobicContact CD1-CB 4.14Å; Y144-P203 HydrophobicContact CD1-CB 3.97Å; Y144-P203 HydrophobicContact CD1-CG 4.46Å; Y144-P203 VanDerWaalsContact CE1-CA 3.45Å; Y144-P203 HydrophobicContact CE1-CB 3.5Å; Y144-P203 HydrophobicContact CE1-CG 4.3Å; Y144-C204 PolarHBondContact OH-N 3.34Å; Y144-H205 AromaticContact CD1-CE1 3.16Å; Y144-H205 WeakPolarHBondContact CD1-CE1 3.44Å; Y144-H205 AromaticContact CD1-ND1 3.44Å; Y144-H205 WeakPolarHBondContact CD1-ND1 3.16Å; Y144-H205 AromaticContact CD1-NE2 3.8Å; Y144-H205 AromaticContact CE1-CD2 3.65Å; Y144-H205 AromaticContact CE1-CE1 3.12Å; Y144-H205 WeakPolarHBondContact CE1-CE1 3.47Å; Y144-H205 AromaticContact CE1-CG 3.73Å; Y144-H205 AromaticContact CE1-ND1 3.42Å; Y144-H205 WeakPolarHBondContact CE1-ND1 3.42Å; Y144-H205 AromaticContact CE1-NE2 3.26Å; Y144-H205 VanDerWaalsContact CE1-NE2 3.26Å; Y144-H205 WeakPolarHBondContact CE1-NE2 3.29Å; Y144-H205 AromaticContact CG-CE1 3.73Å; Y144-H205 AromaticContact CZ-CD2 3.98Å; Y144-H205 AromaticContact CZ-CE1 3.67Å; Y144-H205 AromaticContact CZ-NE2 3.4Å
145	G	98.1	Very high	98.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-42.9	-176.2	0	0	0	0	0	112.3	F100 V143 Q147 W148 R149	F100-G145 WeakPolarHBondContact O-CA 3.28Å; V143-G145 PolarHBondContact O-N 3.45Å; G145-Q147 VanDerWaalsContact C-N 3.35Å; G145-Q147 PolarHBondContact O-N 3.24Å; G145-W148 WeakPolarHBondContact O-CB 3.4Å; G145-W148 PolarHBondContact O-N 2.88Å; G145-R149 WeakPolarHBondContact O-CG 3.33Å; G145-R149 PolarHBondContact O-N 3.46Å
146	F	98.9	Very high	98.5	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-46.5	175.1	-174	-89.8	0	0	0	111.7	T105 P142 V143 Y144 W148 R149 H150 A153 Y155 Y162	T105-F146 HydrophobicContact CG2-CB 3.68Å; T105-F146 HydrophobicContact CG2-CG 4.48Å; P142-F146 HydrophobicContact CB-CB 4.24Å; P142-F146 HydrophobicContact CB-CD1 3.25Å; P142-F146 HydrophobicContact CB-CE1 3.61Å; P142-F146 HydrophobicContact CB-CG 3.77Å; P142-F146 HydrophobicContact CB-CZ 4.4Å; V143-F146 PolarHBondContact O-N 3.35Å; Y144-F146 VanDerWaalsContact C-N 3.31Å; Y144-F146 PolarHBondContact O-N 3.01Å; F146-W148 PolarHBondContact O-N 2.99Å; F146-R149 PolarHBondContact O-N 2.92Å; F146-H150 HydrophobicContact CD1-CB 4.37Å; F146-H150 HydrophobicContact CD2-CB 4.1Å; F146-H150 HydrophobicContact CE1-CB 4.21Å; F146-H150 HydrophobicContact CE2-CB 3.89Å; F146-H150 HydrophobicContact CG-CB 4.35Å; F146-H150 HydrophobicContact CZ-CB 3.97Å; F146-H150 CarbonylContact O-C 3.59Å; F146-H150 VanDerWaalsContact O-CA 3.28Å; F146-H150 WeakPolarHBondContact O-CA 3.39Å; F146-H150 WeakPolarHBondContact O-CB 3.21Å; F146-H150 PolarHBondContact O-N 2.73Å; F146-A153 HydrophobicContact CE1-CB 4.4Å; F146-A153 HydrophobicContact CZ-CB 3.88Å; F146-Y155 HydrophobicContact CD1-CD2 4.47Å; F146-Y155 AromaticContact CD2-CD2 3.75Å; F146-Y155 HydrophobicContact CD2-CD2 3.75Å; F146-Y155 HydrophobicContact CD2-CE2 4.02Å; F146-Y155 HydrophobicContact CE1-CD2 4.3Å; F146-Y155 AromaticContact CE2-CD2 3.57Å; F146-Y155 HydrophobicContact CE2-CD2 3.57Å; F146-Y155 HydrophobicContact CE2-CE2 4.19Å; F146-Y155 HydrophobicContact CG-CD2 4.2Å; F146-Y155 AromaticContact CZ-CD2 3.84Å; F146-Y155 HydrophobicContact CZ-CD2 3.84Å; F146-Y162 HydrophobicContact CD2-CD2 4.23Å; F146-Y162 HydrophobicContact CD2-CE2 4.32Å; F146-Y162 HydrophobicContact CD2-CG 4.44Å; F146-Y162 AromaticContact CE2-CD1 3.61Å; F146-Y162 HydrophobicContact CE2-CD1 3.61Å; F146-Y162 AromaticContact CE2-CD2 3.78Å; F146-Y162 HydrophobicContact CE2-CD2 3.78Å; F146-Y162 AromaticContact CE2-CE1 3.65Å; F146-Y162 HydrophobicContact CE2-CE1 3.65Å; F146-Y162 AromaticContact CE2-CE2 3.83Å; F146-Y162 HydrophobicContact CE2-CE2 3.83Å; F146-Y162 AromaticContact CE2-CG 3.67Å; F146-Y162 HydrophobicContact CE2-CG 3.67Å; F146-Y162 AromaticContact CE2-CZ 3.76Å; F146-Y162 HydrophobicContact CZ-CD1 4.14Å; F146-Y162 HydrophobicContact CZ-CE1 4.11Å
147	Q	98.8	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.2	-28.8	176.8	-59.4	-58	-35.7	0	0	112	P142 V143 Y144 G145 F151 Q169 A190 N192 D195 M199	P142-Q147 WeakPolarHBondContact O-CG 3.17Å; P142-Q147 PolarHBondContact O-NE2 3.17Å; V143-Q147 WeakPolarHBondContact O-CG 3.39Å; V143-Q147 PolarHBondContact O-N 3.11Å; Y144-Q147 PolarHBondContact O-N 2.84Å; Y144-Q147 VanDerWaalsContact O-N 3.1Å; G145-Q147 VanDerWaalsContact C-N 3.35Å; G145-Q147 PolarHBondContact O-N 3.24Å; Q147-F151 HydrophobicContact CB-CD2 4.19Å; Q147-F151 WeakPolarHBondContact O-CB 3.33Å; Q147-F151 VanDerWaalsContact OE1-CD2 3.25Å; Q147-Q169 PolarHBondContact O-NE2 3.11Å; Q147-A190 HydrophobicContact CB-CB 4.42Å; Q147-N192 VanDerWaalsContact OE1-CB 3.31Å; Q147-N192 PolarHBondContact OE1-ND2 3.49Å; Q147-D195 PolarHBondContact NE2-OD2 3.07Å; Q147-M199 HydrophobicContact CG-CE 3.95Å
148	W	98.8	Very high	98.5	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.011	13%	0.134	C	C	.	.	H	α-helix	trans	-72.3	-35.8	177.7	-67.6	9.8	0	0	0	112.8	L97 F100 I101 Y144 G145 F146 Q169 L170 M188 L242	L97-W148 HydrophobicContact CD1-CH2 4.07Å; L97-W148 HydrophobicContact CD1-CZ3 4.07Å; F100-W148 HydrophobicContact CB-CE3 4.08Å; F100-W148 HydrophobicContact CB-CH2 4.23Å; F100-W148 HydrophobicContact CB-CZ3 3.83Å; F100-W148 HydrophobicContact CD2-CH2 4.3Å; I101-W148 HydrophobicContact CG1-CZ3 4.49Å; Y144-W148 VanDerWaalsContact O-CG 3.31Å; Y144-W148 PolarHBondContact O-N 3.44Å; G145-W148 WeakPolarHBondContact O-CB 3.4Å; G145-W148 PolarHBondContact O-N 2.88Å; F146-W148 PolarHBondContact O-N 2.99Å; W148-Q169 WeakPolarHBondContact O-CB 3.28Å; W148-Q169 PolarHBondContact O-N 3.47Å; W148-L170 PolarHBondContact O-N 3.39Å; W148-L170 VanDerWaalsContact O-N 3.08Å; W148-M188 HydrophobicContact CB-SD 3.95Å; W148-M188 HydrophobicContact CD2-CE 3.55Å; W148-M188 HydrophobicContact CD2-SD 3.57Å; W148-M188 VanDerWaalsContact CD2-SD 3.57Å; W148-M188 VanDerWaalsContact CE2-CE 3.46Å; W148-M188 HydrophobicContact CE3-CE 3.81Å; W148-M188 HydrophobicContact CE3-SD 4Å; W148-M188 HydrophobicContact CG-CE 4.12Å; W148-M188 HydrophobicContact CG-CG 4.21Å; W148-M188 HydrophobicContact CG-SD 3.53Å; W148-M188 VanDerWaalsContact CG-SD 3.53Å; W148-M188 HydrophobicContact CH2-CE 3.93Å; W148-M188 HydrophobicContact CZ2-CE 3.68Å; W148-M188 HydrophobicContact CZ3-CE 3.98Å; W148-L242 HydrophobicContact CH2-CD2 3.96Å; W148-L242 HydrophobicContact CZ3-CD2 4.15Å
149	R	98.8	Very high	98.5	Very high	28 Å²	28	32 Å²	32	11%	0.106	16%	0.159	C	C	.	.	H	α-helix	trans	-105	-24.1	-172.7	-53	-48.2	-59.7	-79.7	-4.8	114.2	I101 G145 F146 V167 D168 N298	I101-R149 WeakPolarHBondContact O-CD 3.24Å; I101-R149 PolarHBondContact O-NH1 3.27Å; G145-R149 WeakPolarHBondContact O-CG 3.33Å; G145-R149 PolarHBondContact O-N 3.46Å; F146-R149 PolarHBondContact O-N 2.92Å; R149-V167 CarbonylContact C-O 3.1Å; R149-D168 IonicContact CZ-OD1 3.7Å; R149-D168 IonicContact CZ-OD2 3.81Å; R149-D168 VanDerWaalsContact NE-CG 3.35Å; R149-D168 IonicContact NE-OD1 2.68Å; R149-D168 PolarHBondContact NE-OD1 3.06Å; R149-D168 IonicContact NE-OD2 3.98Å; R149-D168 PolarHBondContact NE-OD2 2.99Å; R149-D168 IonicContact NH2-OD1 3.98Å; R149-D168 IonicContact NH2-OD2 2.89Å; R149-D168 PolarHBondContact NH2-OD2 2.97Å; R149-D168 VanDerWaalsContact O-CA 3.28Å; R149-D168 WeakPolarHBondContact O-CA 3.47Å; R149-N298 PolarHBondContact NH1-OD1 3.29Å
150	H	98.8	Very high	98.5	Very high	26 Å²	26	33.5 Å²	33.5	12%	0.12	17%	0.168	C	C	.	.	H	α-helix	trans	-138.9	32.3	-167.9	-50.8	-59.1	0	0	0	112.7	F146 G152 A153 Y162 Q165	F146-H150 HydrophobicContact CD1-CB 4.37Å; F146-H150 HydrophobicContact CD2-CB 4.1Å; F146-H150 HydrophobicContact CE1-CB 4.21Å; F146-H150 HydrophobicContact CE2-CB 3.89Å; F146-H150 HydrophobicContact CG-CB 4.35Å; F146-H150 HydrophobicContact CZ-CB 3.97Å; F146-H150 CarbonylContact O-C 3.59Å; F146-H150 VanDerWaalsContact O-CA 3.28Å; F146-H150 WeakPolarHBondContact O-CA 3.39Å; F146-H150 WeakPolarHBondContact O-CB 3.21Å; F146-H150 PolarHBondContact O-N 2.73Å; H150-G152 PolarHBondContact O-N 3.32Å; H150-A153 HydrophobicContact CB-CB 4.15Å; H150-A153 VanDerWaalsContact O-CB 3.26Å; H150-A153 WeakPolarHBondContact O-CB 3.4Å; H150-A153 PolarHBondContact O-N 3.18Å; H150-Y162 PolarHBondContact CE1-O 2.71Å; H150-Y162 VanDerWaalsContact CE1-O 3.24Å; H150-Y162 PolarHBondContact ND1-O 2.88Å; H150-Y162 VanDerWaalsContact ND1-O 3.07Å; H150-Q165 WeakPolarHBondContact CA-O 3.4Å; H150-Q165 PolarHBondContact ND1-O 2.9Å
151	F	98.8	Very high	98.5	Very high	58 Å²	58	39 Å²	39	25%	0.254	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-53.4	125.3	-175.5	-168.1	-88.2	0	0	0	111.7	Q147 A153 G166 V167 Q169 N192	Q147-F151 HydrophobicContact CB-CD2 4.19Å; Q147-F151 WeakPolarHBondContact O-CB 3.33Å; Q147-F151 VanDerWaalsContact OE1-CD2 3.25Å; F151-A153 VanDerWaalsContact C-N 3.32Å; F151-A153 PolarHBondContact O-N 2.87Å; F151-G166 CarbonylContact O-C 3.55Å; F151-G166 WeakPolarHBondContact O-CA 3.43Å; F151-V167 HydrophobicContact CB-CB 4.26Å; F151-V167 PolarHBondContact N-O 3.06Å; F151-V167 VanDerWaalsContact N-O 3.08Å; F151-V167 PolarHBondContact O-N 3.32Å; F151-Q169 HydrophobicContact CB-CG 4.2Å; F151-N192 HydrophobicContact CD2-CB 4.5Å; F151-N192 HydrophobicContact CE2-CB 3.72Å; F151-N192 HydrophobicContact CZ-CB 3.92Å
152	G	98.4	Very high	98.5	Very high	40 Å²	40	39.7 Å²	39.7	41%	0.412	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-3.5	178.6	0	0	0	0	0	115.9	H150	H150-G152 PolarHBondContact O-N 3.32Å
153	A	98.6	Very high	98.4	Very high	8 Å²	8	44.9 Å²	44.9	7%	0.066	23%	0.232	C	C	.	.			trans	-64.4	154.9	168.5	0	0	0	0	0	111.2	F146 H150 F151 Y155 Q165	F146-A153 HydrophobicContact CE1-CB 4.4Å; F146-A153 HydrophobicContact CZ-CB 3.88Å; H150-A153 HydrophobicContact CB-CB 4.15Å; H150-A153 VanDerWaalsContact O-CB 3.26Å; H150-A153 WeakPolarHBondContact O-CB 3.4Å; H150-A153 PolarHBondContact O-N 3.18Å; F151-A153 VanDerWaalsContact C-N 3.32Å; F151-A153 PolarHBondContact O-N 2.87Å; A153-Y155 PolarHBondContact O-N 3.22Å; A153-Q165 HydrophobicContact CB-CB 3.94Å
154	E	98.4	Very high	98.3	Very high	140 Å²	140	48.8 Å²	48.8	65%	0.654	27%	0.272	S	S	*	.			trans	-80	114.1	173.4	-175.5	177.4	-172.7	0	0	109.6
155	Y	98.6	Very high	98.3	Very high	24 Å²	24	52 Å²	52	9%	0.094	29%	0.287	C	S	.	.			trans	-71	132.3	175.6	-167.3	-95.1	0	0	0	111.1	T105 D139 P142 F146 A153 M158 Y162	T105-Y155 HydrophobicContact CG2-CE2 4.08Å; T105-Y155 PolarHBondContact OG1-OH 3.11Å; D139-Y155 PolarHBondContact OD1-OH 3.17Å; D139-Y155 PolarHBondContact OD2-OH 3.3Å; P142-Y155 HydrophobicContact CB-CD2 3.6Å; P142-Y155 HydrophobicContact CB-CE2 4.32Å; P142-Y155 HydrophobicContact CB-CG 3.86Å; P142-Y155 HydrophobicContact CG-CD2 4.25Å; P142-Y155 HydrophobicContact CG-CG 4.02Å; F146-Y155 HydrophobicContact CD1-CD2 4.47Å; F146-Y155 AromaticContact CD2-CD2 3.75Å; F146-Y155 HydrophobicContact CD2-CD2 3.75Å; F146-Y155 HydrophobicContact CD2-CE2 4.02Å; F146-Y155 HydrophobicContact CE1-CD2 4.3Å; F146-Y155 AromaticContact CE2-CD2 3.57Å; F146-Y155 HydrophobicContact CE2-CD2 3.57Å; F146-Y155 HydrophobicContact CE2-CE2 4.19Å; F146-Y155 HydrophobicContact CG-CD2 4.2Å; F146-Y155 AromaticContact CZ-CD2 3.84Å; F146-Y155 HydrophobicContact CZ-CD2 3.84Å; A153-Y155 PolarHBondContact O-N 3.22Å; Y155-M158 WeakPolarHBondContact OH-CA 3.44Å; Y155-M158 PolarHBondContact OH-N 3.42Å; Y155-M158 VanDerWaalsContact OH-N 3.14Å; Y155-Y162 HydrophobicContact CD2-CE2 4.49Å; Y155-Y162 HydrophobicContact CE2-CE2 4.34Å
156	K	98.2	Very high	98.3	Very high	136 Å²	136	54 Å²	54	59%	0.591	31%	0.308	S	S	*	.			trans	-109.6	-68.1	175.6	-62.5	-175.8	-176.1	176.8	0	110.5	T160 Y162	K156-T160 HydrophobicContact CD-CG2 4.27Å; K156-Y162 PolarHBondContact N-OH 2.81Å
157	D	98.2	Very high	98.3	Very high	61 Å²	61	57.4 Å²	57.4	33%	0.326	33%	0.329	S	S	.	.			trans	-155.5	172.7	177.8	55.4	49	0	0	0	110.5	H159 T160 Y162	D157-H159 PolarHBondContact O-N 2.75Å; D157-H159 PolarHBondContact OD1-N 2.99Å; D157-T160 WeakPolarHBondContact OD1-CB 3.26Å; D157-T160 PolarHBondContact OD1-N 2.91Å; D157-T160 PolarHBondContact OD1-OG1 3.33Å; D157-Y162 PolarHBondContact N-OH 3.43Å; D157-Y162 VanDerWaalsContact N-OH 3.09Å; D157-Y162 WeakPolarHBondContact O-CE2 3.49Å; D157-Y162 PolarHBondContact O-OH 2.94Å
158	M	98.1	Very high	98.3	Very high	19 Å²	19	59.5 Å²	59.5	9%	0.094	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.4	178.8	68.5	179.1	175.5	0	0	115.6	T105 N106 E136 D139 Y155	T105-M158 WeakPolarHBondContact OG1-CB 3.44Å; N106-M158 HydrophobicContact CB-CB 4.18Å; N106-M158 HydrophobicContact CB-CG 4.23Å; N106-M158 HydrophobicContact CB-SD 3.55Å; N106-M158 VanDerWaalsContact CB-SD 3.55Å; N106-M158 PolarHBondContact OD1-SD 3.38Å; E136-M158 HydrophobicContact CB-CE 3.97Å; E136-M158 HydrophobicContact CG-CE 3.97Å; E136-M158 VanDerWaalsContact OE1-CE 3.29Å; E136-M158 WeakPolarHBondContact OE1-CE 3.36Å; E136-M158 WeakPolarHBondContact OE2-CE 3.43Å; D139-M158 VanDerWaalsContact CA-SD 3.57Å; D139-M158 HydrophobicContact CB-CB 4.18Å; D139-M158 HydrophobicContact CB-CE 4.31Å; D139-M158 HydrophobicContact CB-CG 3.96Å; D139-M158 HydrophobicContact CB-SD 3.62Å; D139-M158 PolarHBondContact OD2-N 2.9Å; Y155-M158 WeakPolarHBondContact OH-CA 3.44Å; Y155-M158 PolarHBondContact OH-N 3.42Å; Y155-M158 VanDerWaalsContact OH-N 3.14Å
159	H	98.1	Very high	98.3	Very high	120 Å²	120	60.6 Å²	60.6	56%	0.556	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-15.7	-176.9	-58.4	-64.1	0	0	0	113.1	E136 D157	E136-H159 IonicContact OE2-CD2 3.7Å; E136-H159 IonicContact OE2-CE1 3.83Å; E136-H159 IonicContact OE2-NE2 2.8Å; E136-H159 PolarHBondContact OE2-NE2 3.1Å; D157-H159 PolarHBondContact O-N 2.75Å; D157-H159 PolarHBondContact OD1-N 2.99Å
160	T	98.3	Very high	98.3	Very high	36 Å²	36	59.3 Å²	59.3	22%	0.221	34%	0.34	C	S	.	.	S	Bend	trans	-64.5	135.6	180	-67.5	0	0	0	0	111.2	K156 D157 Y162	K156-T160 HydrophobicContact CD-CG2 4.27Å; D157-T160 WeakPolarHBondContact OD1-CB 3.26Å; D157-T160 PolarHBondContact OD1-N 2.91Å; D157-T160 PolarHBondContact OD1-OG1 3.33Å; T160-Y162 HydrophobicContact CG2-CD1 4.11Å; T160-Y162 HydrophobicContact CG2-CD2 4.4Å; T160-Y162 HydrophobicContact CG2-CE1 3.75Å; T160-Y162 HydrophobicContact CG2-CE2 4.06Å; T160-Y162 HydrophobicContact CG2-CG 4.42Å; T160-Y162 WeakPolarHBondContact O-CD2 3.45Å; T160-Y162 VanDerWaalsContact O-CE2 3.26Å; T160-Y162 WeakPolarHBondContact O-CE2 3.23Å; T160-Y162 PolarHBondContact O-N 2.97Å
161	D	97.8	Very high	98.3	Very high	115 Å²	115	60.9 Å²	60.9	62%	0.615	35%	0.348	S	S	*	.			trans	-76.4	110.4	169.4	-179.1	13.6	0	0	0	110.5	T163 Q165	D161-T163 WeakPolarHBondContact OD1-CB 3.29Å; D161-T163 PolarHBondContact OD1-N 3.08Å; D161-T163 PolarHBondContact OD1-OG1 3.44Å; D161-Q165 PolarHBondContact O-NE2 3.36Å
162	Y	98.4	Very high	98.3	Very high	15 Å²	15	62 Å²	62	6%	0.059	36%	0.356	C	S	.	.			trans	-93.6	9.6	177.6	-61.6	-79.4	0	0	0	113.5	F146 H150 Y155 K156 D157 T160 G164 Q165	F146-Y162 HydrophobicContact CD2-CD2 4.23Å; F146-Y162 HydrophobicContact CD2-CE2 4.32Å; F146-Y162 HydrophobicContact CD2-CG 4.44Å; F146-Y162 AromaticContact CE2-CD1 3.61Å; F146-Y162 HydrophobicContact CE2-CD1 3.61Å; F146-Y162 AromaticContact CE2-CD2 3.78Å; F146-Y162 HydrophobicContact CE2-CD2 3.78Å; F146-Y162 AromaticContact CE2-CE1 3.65Å; F146-Y162 HydrophobicContact CE2-CE1 3.65Å; F146-Y162 AromaticContact CE2-CE2 3.83Å; F146-Y162 HydrophobicContact CE2-CE2 3.83Å; F146-Y162 AromaticContact CE2-CG 3.67Å; F146-Y162 HydrophobicContact CE2-CG 3.67Å; F146-Y162 AromaticContact CE2-CZ 3.76Å; F146-Y162 HydrophobicContact CZ-CD1 4.14Å; F146-Y162 HydrophobicContact CZ-CE1 4.11Å; H150-Y162 PolarHBondContact CE1-O 2.71Å; H150-Y162 VanDerWaalsContact CE1-O 3.24Å; H150-Y162 PolarHBondContact ND1-O 2.88Å; H150-Y162 VanDerWaalsContact ND1-O 3.07Å; Y155-Y162 HydrophobicContact CD2-CE2 4.49Å; Y155-Y162 HydrophobicContact CE2-CE2 4.34Å; K156-Y162 PolarHBondContact N-OH 2.81Å; D157-Y162 PolarHBondContact N-OH 3.43Å; D157-Y162 VanDerWaalsContact N-OH 3.09Å; D157-Y162 WeakPolarHBondContact O-CE2 3.49Å; D157-Y162 PolarHBondContact O-OH 2.94Å; T160-Y162 HydrophobicContact CG2-CD1 4.11Å; T160-Y162 HydrophobicContact CG2-CD2 4.4Å; T160-Y162 HydrophobicContact CG2-CE1 3.75Å; T160-Y162 HydrophobicContact CG2-CE2 4.06Å; T160-Y162 HydrophobicContact CG2-CG 4.42Å; T160-Y162 WeakPolarHBondContact O-CD2 3.45Å; T160-Y162 VanDerWaalsContact O-CE2 3.26Å; T160-Y162 WeakPolarHBondContact O-CE2 3.23Å; T160-Y162 PolarHBondContact O-N 2.97Å; Y162-G164 PolarHBondContact O-N 3.29Å; Y162-Q165 VanDerWaalsContact O-CB 3.29Å; Y162-Q165 WeakPolarHBondContact O-CB 3.26Å; Y162-Q165 PolarHBondContact O-N 3.47Å
163	T	96.6	Very high	98.4	Very high	109 Å²	109	60.3 Å²	60.3	67%	0.669	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	125.9	179.5	-61.4	0	0	0	0	111.4	D161 Q165	D161-T163 WeakPolarHBondContact OD1-CB 3.29Å; D161-T163 PolarHBondContact OD1-N 3.08Å; D161-T163 PolarHBondContact OD1-OG1 3.44Å; T163-Q165 PolarHBondContact O-N 3.48Å
164	G	97.2	Very high	98.4	Very high	81 Å²	81	60 Å²	60	84%	0.835	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	3.6	-178.6	0	0	0	0	0	115.2	Y162	Y162-G164 PolarHBondContact O-N 3.29Å
165	Q	98.6	Very high	98.4	Very high	71 Å²	71	55.7 Å²	55.7	33%	0.332	32%	0.316	S	S	.	.			trans	-96.9	140.9	175.8	-53.5	-173.9	49.4	0	0	111	H150 A153 D161 Y162 T163	H150-Q165 WeakPolarHBondContact CA-O 3.4Å; H150-Q165 PolarHBondContact ND1-O 2.9Å; A153-Q165 HydrophobicContact CB-CB 3.94Å; D161-Q165 PolarHBondContact O-NE2 3.36Å; Y162-Q165 VanDerWaalsContact O-CB 3.29Å; Y162-Q165 WeakPolarHBondContact O-CB 3.26Å; Y162-Q165 PolarHBondContact O-N 3.47Å; T163-Q165 PolarHBondContact O-N 3.48Å
166	G	98.5	Very high	98.4	Very high	44 Å²	44	56.4 Å²	56.4	45%	0.454	32%	0.324	S	S	.	.	S	Bend	trans	72.3	-159.1	179.8	0	0	0	0	0	113.4	F151	F151-G166 CarbonylContact O-C 3.55Å; F151-G166 WeakPolarHBondContact O-CA 3.43Å
167	V	98.8	Very high	98.4	Very high	72 Å²	72	50.2 Å²	50.2	44%	0.436	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-108.3	121	176.9	-178.3	0	0	0	0	110	R149 F151 Q169 N172	R149-V167 CarbonylContact C-O 3.1Å; F151-V167 HydrophobicContact CB-CB 4.26Å; F151-V167 PolarHBondContact N-O 3.06Å; F151-V167 VanDerWaalsContact N-O 3.08Å; F151-V167 PolarHBondContact O-N 3.32Å; V167-Q169 HydrophobicContact CG1-CG 4.33Å; V167-Q169 PolarHBondContact O-N 2.8Å; V167-N172 WeakPolarHBondContact CG1-ND2 3.48Å
168	D	98.8	Very high	98.4	Very high	44 Å²	44	52.4 Å²	52.4	24%	0.235	30%	0.304	C	S	.	.			trans	-79.6	83.9	172.5	-166.7	-19.9	0	0	0	110.2	R149 L170 Q171 N172	R149-D168 IonicContact CZ-OD1 3.7Å; R149-D168 IonicContact CZ-OD2 3.81Å; R149-D168 VanDerWaalsContact NE-CG 3.35Å; R149-D168 IonicContact NE-OD1 2.68Å; R149-D168 PolarHBondContact NE-OD1 3.06Å; R149-D168 IonicContact NE-OD2 3.98Å; R149-D168 PolarHBondContact NE-OD2 2.99Å; R149-D168 IonicContact NH2-OD1 3.98Å; R149-D168 IonicContact NH2-OD2 2.89Å; R149-D168 PolarHBondContact NH2-OD2 2.97Å; R149-D168 VanDerWaalsContact O-CA 3.28Å; R149-D168 WeakPolarHBondContact O-CA 3.47Å; D168-L170 VanDerWaalsContact C-N 3.33Å; D168-L170 PolarHBondContact O-N 3.42Å; D168-L170 PolarHBondContact OD1-N 3.39Å; D168-Q171 HydrophobicContact CB-CB 4.14Å; D168-Q171 VanDerWaalsContact CG-CB 3.45Å; D168-Q171 PolarHBondContact O-N 2.72Å; D168-Q171 PolarHBondContact OD1-N 3.49Å; D168-N172 WeakPolarHBondContact O-CB 3.36Å; D168-N172 PolarHBondContact O-N 2.75Å; D168-N172 PolarHBondContact O-ND2 2.76Å
169	Q	98.9	Very high	98.5	Very high	26 Å²	26	59.1 Å²	59.1	12%	0.121	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-40.7	-179.4	-64.6	-174.9	85.9	0	0	111.7	Q147 W148 F151 V167 N172 I173 M188 C189	Q147-Q169 PolarHBondContact O-NE2 3.11Å; W148-Q169 WeakPolarHBondContact O-CB 3.28Å; W148-Q169 PolarHBondContact O-N 3.47Å; F151-Q169 HydrophobicContact CB-CG 4.2Å; V167-Q169 HydrophobicContact CG1-CG 4.33Å; V167-Q169 PolarHBondContact O-N 2.8Å; Q169-N172 PolarHBondContact O-N 3.2Å; Q169-I173 WeakPolarHBondContact O-CG1 3.38Å; Q169-I173 PolarHBondContact O-N 3.33Å; Q169-M188 HydrophobicContact CB-CG 4.01Å; Q169-C189 PolarHBondContact NE2-O 3.48Å
170	L	98.9	Very high	98.5	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-47.2	179.8	178.6	58.6	0	0	0	111.1	I101 W148 D168 I173 I174 M188 I246 I297	I101-L170 HydrophobicContact CB-CD2 4.3Å; I101-L170 HydrophobicContact CG1-CD2 4.11Å; I101-L170 HydrophobicContact CG2-CD2 4.01Å; W148-L170 PolarHBondContact O-N 3.39Å; W148-L170 VanDerWaalsContact O-N 3.08Å; D168-L170 VanDerWaalsContact C-N 3.33Å; D168-L170 PolarHBondContact O-N 3.42Å; D168-L170 PolarHBondContact OD1-N 3.39Å; L170-I173 HydrophobicContact CD1-CD1 4.15Å; L170-I173 HydrophobicContact CD1-CG1 4.41Å; L170-I173 WeakPolarHBondContact O-CG1 3.31Å; L170-I173 PolarHBondContact O-N 3.22Å; L170-I174 HydrophobicContact CD1-CD1 4.03Å; L170-I174 HydrophobicContact CG-CD1 4.07Å; L170-I174 WeakPolarHBondContact O-CD1 3.47Å; L170-I174 VanDerWaalsContact O-CG1 3.31Å; L170-I174 WeakPolarHBondContact O-CG1 3.06Å; L170-I174 PolarHBondContact O-N 3.48Å; L170-M188 HydrophobicContact CB-SD 4.19Å; L170-M188 HydrophobicContact CD1-SD 4.32Å; L170-I246 HydrophobicContact CD1-CD1 4.37Å; L170-I297 HydrophobicContact CD2-CG1 4.19Å; L170-I297 HydrophobicContact CD2-CG2 4.12Å; L170-I297 HydrophobicContact CG-CG2 4.43Å
171	Q	98.8	Very high	98.5	Very high	59 Å²	59	57.8 Å²	57.8	28%	0.276	33%	0.33	S	S	.	.	H	α-helix	trans	-66.4	-40.3	177	-169.8	59.7	53.6	0	0	111.4	D168 I173 I174 D175	D168-Q171 HydrophobicContact CB-CB 4.14Å; D168-Q171 VanDerWaalsContact CG-CB 3.45Å; D168-Q171 PolarHBondContact O-N 2.72Å; D168-Q171 PolarHBondContact OD1-N 3.49Å; Q171-I173 PolarHBondContact O-N 2.89Å; Q171-I174 PolarHBondContact O-N 3.38Å; Q171-D175 PolarHBondContact NE2-OD1 3.32Å; Q171-D175 WeakPolarHBondContact O-CB 3.38Å; Q171-D175 PolarHBondContact O-N 2.98Å
172	N	98.8	Very high	98.4	Very high	81 Å²	81	60.2 Å²	60.2	43%	0.433	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-42.3	178.3	-74	-20.7	0	0	0	112.7	V167 D168 Q169 T176	V167-N172 WeakPolarHBondContact CG1-ND2 3.48Å; D168-N172 WeakPolarHBondContact O-CB 3.36Å; D168-N172 PolarHBondContact O-N 2.75Å; D168-N172 PolarHBondContact O-ND2 2.76Å; Q169-N172 PolarHBondContact O-N 3.2Å; N172-T176 WeakPolarHBondContact O-CB 3.36Å; N172-T176 PolarHBondContact O-N 3.19Å; N172-T176 PolarHBondContact O-OG1 3.05Å
173	I	98.8	Very high	98.4	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-39.9	177.2	61.3	164.1	0	0	0	111.7	Q169 L170 Q171 T176 I177 I186 I187 M188 F210 I246	Q169-I173 WeakPolarHBondContact O-CG1 3.38Å; Q169-I173 PolarHBondContact O-N 3.33Å; L170-I173 HydrophobicContact CD1-CD1 4.15Å; L170-I173 HydrophobicContact CD1-CG1 4.41Å; L170-I173 WeakPolarHBondContact O-CG1 3.31Å; L170-I173 PolarHBondContact O-N 3.22Å; Q171-I173 PolarHBondContact O-N 2.89Å; I173-T176 PolarHBondContact O-N 2.88Å; I173-I177 WeakPolarHBondContact O-CD1 3.37Å; I173-I177 VanDerWaalsContact O-CG1 3.23Å; I173-I177 WeakPolarHBondContact O-CG1 3.38Å; I173-I177 PolarHBondContact O-N 2.92Å; I173-I186 HydrophobicContact CB-CG2 3.66Å; I173-I186 HydrophobicContact CG2-CG2 3.85Å; I173-I187 WeakPolarHBondContact CG2-O 3.5Å; I173-M188 HydrophobicContact CD1-CB 4.4Å; I173-M188 HydrophobicContact CD1-SD 4.4Å; I173-F210 HydrophobicContact CD1-CD2 3.68Å; I173-F210 HydrophobicContact CD1-CE2 3.26Å; I173-F210 HydrophobicContact CD1-CZ 3.94Å; I173-I246 HydrophobicContact CD1-CD1 3.97Å
174	I	98.9	Very high	98.5	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-46.5	178	-68.7	162.4	0	0	0	110	L170 Q171 T176 I177 K178 I246 I249 T250 I297	L170-I174 HydrophobicContact CD1-CD1 4.03Å; L170-I174 HydrophobicContact CG-CD1 4.07Å; L170-I174 WeakPolarHBondContact O-CD1 3.47Å; L170-I174 VanDerWaalsContact O-CG1 3.31Å; L170-I174 WeakPolarHBondContact O-CG1 3.06Å; L170-I174 PolarHBondContact O-N 3.48Å; Q171-I174 PolarHBondContact O-N 3.38Å; I174-T176 VanDerWaalsContact C-N 3.32Å; I174-T176 PolarHBondContact O-N 2.72Å; I174-I177 PolarHBondContact O-N 2.87Å; I174-K178 HydrophobicContact CG2-CD 4.41Å; I174-K178 WeakPolarHBondContact O-CG 3.49Å; I174-K178 PolarHBondContact O-N 2.93Å; I174-I246 HydrophobicContact CG1-CG1 4.41Å; I174-I246 HydrophobicContact CG1-CG2 4.35Å; I174-I249 HydrophobicContact CD1-CD1 3.87Å; I174-I249 HydrophobicContact CG1-CD1 4.22Å; I174-I249 HydrophobicContact CG2-CD1 4.06Å; I174-T250 HydrophobicContact CG2-CG2 4.37Å; I174-I297 HydrophobicContact CD1-CB 3.73Å; I174-I297 HydrophobicContact CD1-CG1 4.13Å; I174-I297 HydrophobicContact CD1-CG2 3.67Å
175	D	98.8	Very high	98.6	Very high	49 Å²	49	72.7 Å²	72.7	26%	0.262	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-42.5	176.6	-91.5	36	0	0	0	111.8	Q171 K178 K179	Q171-D175 PolarHBondContact NE2-OD1 3.32Å; Q171-D175 WeakPolarHBondContact O-CB 3.38Å; Q171-D175 PolarHBondContact O-N 2.98Å; D175-K178 PolarHBondContact O-N 2.89Å; D175-K179 WeakPolarHBondContact O-CB 3.36Å; D175-K179 WeakPolarHBondContact O-CG 3.5Å; D175-K179 PolarHBondContact O-N 3.13Å; D175-K179 IonicContact OD2-NZ 3.71Å; D175-K179 PolarHBondContact OD2-NZ 3.4Å
176	T	98.9	Very high	98.6	Very high	40 Å²	40	69.4 Å²	69.4	25%	0.245	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-43.7	178.5	-55.1	0	0	0	0	110.7	N172 I173 I174 K178 K179 N180 D183 I186	N172-T176 WeakPolarHBondContact O-CB 3.36Å; N172-T176 PolarHBondContact O-N 3.19Å; N172-T176 PolarHBondContact O-OG1 3.05Å; I173-T176 PolarHBondContact O-N 2.88Å; I174-T176 VanDerWaalsContact C-N 3.32Å; I174-T176 PolarHBondContact O-N 2.72Å; T176-K178 VanDerWaalsContact C-N 3.28Å; T176-K178 PolarHBondContact O-N 3Å; T176-K179 PolarHBondContact O-N 2.67Å; T176-N180 HydrophobicContact CG2-CB 4.49Å; T176-N180 CarbonylContact O-C 3.48Å; T176-N180 WeakPolarHBondContact O-CA 3.47Å; T176-N180 PolarHBondContact O-N 3.35Å; T176-D183 HydrophobicContact CG2-CB 3.7Å; T176-I186 HydrophobicContact CG2-CD1 4.37Å; T176-I186 HydrophobicContact CG2-CG1 3.82Å
177	I	98.8	Very high	98.6	Very high	5 Å²	5	70.4 Å²	70.4	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-41.8	175.7	-71.1	162.4	0	0	0	111	I173 I174 P181 I186 F210 V212 L217 I246 T250 L252	I173-I177 WeakPolarHBondContact O-CD1 3.37Å; I173-I177 VanDerWaalsContact O-CG1 3.23Å; I173-I177 WeakPolarHBondContact O-CG1 3.38Å; I173-I177 PolarHBondContact O-N 2.92Å; I174-I177 PolarHBondContact O-N 2.87Å; I177-P181 WeakPolarHBondContact O-CB 3.48Å; I177-I186 HydrophobicContact CD1-CG2 4.1Å; I177-I186 HydrophobicContact CG1-CD1 3.98Å; I177-I186 HydrophobicContact CG1-CG2 3.9Å; I177-F210 HydrophobicContact CD1-CB 4.35Å; I177-V212 HydrophobicContact CG1-CG2 4.32Å; I177-V212 HydrophobicContact CG2-CG2 4.04Å; I177-L217 HydrophobicContact CD1-CD1 3.79Å; I177-L217 HydrophobicContact CD1-CD2 4.45Å; I177-L217 HydrophobicContact CG1-CD1 4.31Å; I177-I246 HydrophobicContact CD1-CG2 3.6Å; I177-T250 HydrophobicContact CB-CG2 4.31Å; I177-T250 HydrophobicContact CG2-CG2 3.71Å; I177-L252 HydrophobicContact CG2-CD1 3.63Å
178	K	98.5	Very high	98.6	Very high	108 Å²	108	67 Å²	67	47%	0.47	31%	0.31	S	S	.	.	H	α-helix	trans	-70.6	-38.6	179.4	-69.7	-179.4	178.1	-173.8	0	113.2	I174 D175 T176 I249 T250	I174-K178 HydrophobicContact CG2-CD 4.41Å; I174-K178 WeakPolarHBondContact O-CG 3.49Å; I174-K178 PolarHBondContact O-N 2.93Å; D175-K178 PolarHBondContact O-N 2.89Å; T176-K178 VanDerWaalsContact C-N 3.28Å; T176-K178 PolarHBondContact O-N 3Å; K178-I249 WeakPolarHBondContact CE-O 3.35Å; K178-I249 PolarHBondContact NZ-O 3.01Å; K178-I249 VanDerWaalsContact NZ-O 3.12Å; K178-T250 HydrophobicContact CD-CG2 4.48Å; K178-T250 HydrophobicContact CG-CG2 3.87Å
179	K	98.6	Very high	98.6	Very high	159 Å²	159	66.2 Å²	66.2	69%	0.691	31%	0.307	S	S	*	.	H	α-helix	trans	-97.8	-33.8	-169.4	-66.5	167	-178.9	163.6	0	113.5	D175 T176	D175-K179 WeakPolarHBondContact O-CB 3.36Å; D175-K179 WeakPolarHBondContact O-CG 3.5Å; D175-K179 PolarHBondContact O-N 3.13Å; D175-K179 IonicContact OD2-NZ 3.71Å; D175-K179 PolarHBondContact OD2-NZ 3.4Å; T176-K179 PolarHBondContact O-N 2.67Å
180	N	98.4	Very high	98.6	Very high	77 Å²	77	65.1 Å²	65.1	41%	0.412	30%	0.302	S	S	.	.			trans	-145.3	67.2	-175.8	-169.9	24.5	0	0	0	110.8	T176 E182 D183	T176-N180 HydrophobicContact CG2-CB 4.49Å; T176-N180 CarbonylContact O-C 3.48Å; T176-N180 WeakPolarHBondContact O-CA 3.47Å; T176-N180 PolarHBondContact O-N 3.35Å; N180-E182 PolarHBondContact O-N 3.37Å; N180-E182 VanDerWaalsContact O-N 3.15Å; N180-D183 HydrophobicContact CB-CB 4.44Å; N180-D183 WeakPolarHBondContact ND2-CB 3.34Å; N180-D183 PolarHBondContact ND2-OD2 2.84Å; N180-D183 VanDerWaalsContact O-CB 3.25Å; N180-D183 WeakPolarHBondContact O-CB 3.35Å; N180-D183 PolarHBondContact O-N 3.19Å
181	P	98.1	Very high	98.6	Very high	51 Å²	51	69.7 Å²	69.7	33%	0.331	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.7	-173.6	22.2	-33.1	0	0	0	114.3	I177 D183 V212	I177-P181 WeakPolarHBondContact O-CB 3.48Å; P181-D183 PolarHBondContact O-N 2.84Å; P181-V212 HydrophobicContact CB-CB 3.85Å; P181-V212 HydrophobicContact CB-CG1 3.79Å; P181-V212 HydrophobicContact CB-CG2 4.03Å; P181-V212 WeakPolarHBondContact O-CB 3.47Å
182	E	97.3	Very high	98.5	Very high	167 Å²	167	67.4 Å²	67.4	78%	0.78	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	0.2	178.2	-58.2	-170.8	137.1	0	0	113.4	N180 R184	N180-E182 PolarHBondContact O-N 3.37Å; N180-E182 VanDerWaalsContact O-N 3.15Å; E182-R184 PolarHBondContact O-N 2.99Å
183	D	98.4	Very high	98.5	Very high	45 Å²	45	68 Å²	68	24%	0.241	32%	0.317	C	S	.	.			trans	-60.7	136.1	177.7	-157.1	-60.6	0	0	0	110.9	T176 N180 P181 R185 I186	T176-D183 HydrophobicContact CG2-CB 3.7Å; N180-D183 HydrophobicContact CB-CB 4.44Å; N180-D183 WeakPolarHBondContact ND2-CB 3.34Å; N180-D183 PolarHBondContact ND2-OD2 2.84Å; N180-D183 VanDerWaalsContact O-CB 3.25Å; N180-D183 WeakPolarHBondContact O-CB 3.35Å; N180-D183 PolarHBondContact O-N 3.19Å; P181-D183 PolarHBondContact O-N 2.84Å; D183-R185 VanDerWaalsContact C-N 3.34Å; D183-R185 WeakPolarHBondContact OD1-CA 3.41Å; D183-R185 WeakPolarHBondContact OD1-CB 3.48Å; D183-R185 WeakPolarHBondContact OD1-CG 3.48Å; D183-R185 PolarHBondContact OD1-N 2.98Å; D183-I186 HydrophobicContact CB-CD1 4.38Å; D183-I186 HydrophobicContact CB-CG1 4.04Å; D183-I186 WeakPolarHBondContact O-CD1 3.36Å; D183-I186 WeakPolarHBondContact O-CG1 3.43Å
184	R	98.2	Very high	98.5	Very high	216 Å²	216	74.4 Å²	74.4	82%	0.815	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	10.2	-178.5	-56.2	-176.2	-172.3	-178.4	1.2	112.9	E182	E182-R184 PolarHBondContact O-N 2.99Å
185	R	98.6	Very high	98.5	Very high	206 Å²	206	74.5 Å²	74.5	78%	0.777	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	18.4	-174.6	-52.2	171.9	178.9	169.4	0.6	112.5	D183 I187	D183-R185 VanDerWaalsContact C-N 3.34Å; D183-R185 WeakPolarHBondContact OD1-CA 3.41Å; D183-R185 WeakPolarHBondContact OD1-CB 3.48Å; D183-R185 WeakPolarHBondContact OD1-CG 3.48Å; D183-R185 PolarHBondContact OD1-N 2.98Å; R185-I187 PolarHBondContact O-N 2.93Å
186	I	98.8	Very high	98.5	Very high	1 Å²	1	73.9 Å²	73.9	1%	0.005	34%	0.342	C	S	.	.			trans	-73.5	80.2	177.2	-46.5	171.8	0	0	0	108.6	I173 T176 I177 D183 Q209 F210	I173-I186 HydrophobicContact CB-CG2 3.66Å; I173-I186 HydrophobicContact CG2-CG2 3.85Å; T176-I186 HydrophobicContact CG2-CD1 4.37Å; T176-I186 HydrophobicContact CG2-CG1 3.82Å; I177-I186 HydrophobicContact CD1-CG2 4.1Å; I177-I186 HydrophobicContact CG1-CD1 3.98Å; I177-I186 HydrophobicContact CG1-CG2 3.9Å; D183-I186 HydrophobicContact CB-CD1 4.38Å; D183-I186 HydrophobicContact CB-CG1 4.04Å; D183-I186 WeakPolarHBondContact O-CD1 3.36Å; D183-I186 WeakPolarHBondContact O-CG1 3.43Å; I186-Q209 CarbonylContact O-C 3.47Å; I186-Q209 WeakPolarHBondContact O-CA 3.42Å; I186-F210 HydrophobicContact CB-CB 4.19Å; I186-F210 HydrophobicContact CG2-CB 3.74Å; I186-F210 HydrophobicContact CG2-CD2 4.29Å; I186-F210 HydrophobicContact CG2-CG 4.41Å; I186-F210 PolarHBondContact O-N 3.17Å
187	I	98.8	Very high	98.4	Very high	65 Å²	65	76.5 Å²	76.5	33%	0.333	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.1	-170.5	-65.3	173.1	0	0	0	109.7	I173 R185 L207 C208 Q209	I173-I187 WeakPolarHBondContact CG2-O 3.5Å; R185-I187 PolarHBondContact O-N 2.93Å; I187-L207 HydrophobicContact CG2-CD1 3.89Å; I187-L207 HydrophobicContact CG2-CD2 4.15Å; I187-L207 HydrophobicContact CG2-CG 3.87Å; I187-C208 WeakPolarHBondContact CA-O 3.2Å; I187-Q209 HydrophobicContact CG1-CB 4.12Å; I187-Q209 HydrophobicContact CG1-CG 4.04Å
188	M	98.5	Very high	98.4	Very high	2 Å²	2	79.1 Å²	79.1	1%	0.01	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128	170	-179.4	174	67.6	0	0	109.5	W148 Q169 L170 I173 L207 C208 L242	W148-M188 HydrophobicContact CB-SD 3.95Å; W148-M188 HydrophobicContact CD2-CE 3.55Å; W148-M188 HydrophobicContact CD2-SD 3.57Å; W148-M188 VanDerWaalsContact CD2-SD 3.57Å; W148-M188 VanDerWaalsContact CE2-CE 3.46Å; W148-M188 HydrophobicContact CE3-CE 3.81Å; W148-M188 HydrophobicContact CE3-SD 4Å; W148-M188 HydrophobicContact CG-CE 4.12Å; W148-M188 HydrophobicContact CG-CG 4.21Å; W148-M188 HydrophobicContact CG-SD 3.53Å; W148-M188 VanDerWaalsContact CG-SD 3.53Å; W148-M188 HydrophobicContact CH2-CE 3.93Å; W148-M188 HydrophobicContact CZ2-CE 3.68Å; W148-M188 HydrophobicContact CZ3-CE 3.98Å; Q169-M188 HydrophobicContact CB-CG 4.01Å; L170-M188 HydrophobicContact CB-SD 4.19Å; L170-M188 HydrophobicContact CD1-SD 4.32Å; I173-M188 HydrophobicContact CD1-CB 4.4Å; I173-M188 HydrophobicContact CD1-SD 4.4Å; M188-L207 WeakPolarHBondContact O-CA 3.49Å; M188-C208 PolarHBondContact N-O 3.15Å; M188-C208 PolarHBondContact O-N 2.9Å; M188-L242 HydrophobicContact CE-CD2 3.95Å
189	C	98.5	Very high	98.4	Very high	27 Å²	27	74.3 Å²	74.3	18%	0.182	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.9	-173.3	-171.8	0	0	0	0	111.6	Q169 W191 L207	Q169-C189 PolarHBondContact NE2-O 3.48Å; C189-W191 PolarHBondContact SG-N 3.01Å; C189-W191 VanDerWaalsContact SG-N 3.43Å; C189-L207 HydrophobicContact CB-CD1 4.43Å
190	A	98.6	Very high	98.3	Very high	2 Å²	2	66.9 Å²	66.9	2%	0.017	32%	0.321	C	S	.	.			trans	-94.2	-13.6	172.7	0	0	0	0	0	112.6	Y144 Q147 N192 P203 A206	Y144-A190 HydrophobicContact CD1-CB 4.14Å; Q147-A190 HydrophobicContact CB-CB 4.42Å; A190-N192 PolarHBondContact O-N 3.44Å; A190-N192 VanDerWaalsContact O-N 3.14Å; A190-P203 HydrophobicContact CB-CB 3.82Å; A190-P203 HydrophobicContact CB-CG 3.94Å; A190-P203 WeakPolarHBondContact O-CG 3.26Å; A190-A206 PolarHBondContact N-O 3.29Å
191	W	98.6	Very high	98	Very high	96 Å²	96	64.6 Å²	64.6	36%	0.364	31%	0.309	S	S	.	.			trans	-81.7	94.4	-176.2	-166.7	-92.6	0	0	0	112	C189 L196 P202 A206 R224	C189-W191 PolarHBondContact SG-N 3.01Å; C189-W191 VanDerWaalsContact SG-N 3.43Å; W191-L196 HydrophobicContact CD2-CD1 4.29Å; W191-L196 HydrophobicContact CD2-CD2 4.18Å; W191-L196 HydrophobicContact CE3-CD2 4Å; W191-L196 HydrophobicContact CH2-CD1 3.97Å; W191-L196 HydrophobicContact CH2-CD2 4.13Å; W191-L196 HydrophobicContact CZ2-CD1 3.47Å; W191-L196 VanDerWaalsContact CZ2-CD1 3.47Å; W191-L196 HydrophobicContact CZ2-CD2 4.33Å; W191-L196 HydrophobicContact CZ3-CD2 3.93Å; W191-P202 HydrophobicContact CZ3-CB 4.22Å; W191-A206 HydrophobicContact CB-CB 4.26Å; W191-A206 HydrophobicContact CE3-CB 4.49Å; W191-A206 PolarHBondContact N-O 3.41Å; W191-R224 VanDerWaalsContact CZ3-CD 3.41Å; W191-R224 VanDerWaalsContact CZ3-NE 3.26Å
192	N	98.6	Very high	97.9	Very high	12 Å²	12	64.2 Å²	64.2	6%	0.064	31%	0.306	C	S	.	.			trans	-109.3	102.9	176.6	-179.2	-7.5	0	0	0	111.1	Q147 F151 A190 K194 D195 L196	Q147-N192 VanDerWaalsContact OE1-CB 3.31Å; Q147-N192 PolarHBondContact OE1-ND2 3.49Å; F151-N192 HydrophobicContact CD2-CB 4.5Å; F151-N192 HydrophobicContact CE2-CB 3.72Å; F151-N192 HydrophobicContact CZ-CB 3.92Å; A190-N192 PolarHBondContact O-N 3.44Å; A190-N192 VanDerWaalsContact O-N 3.14Å; N192-K194 PolarHBondContact O-N 3.24Å; N192-K194 VanDerWaalsContact O-N 3.09Å; N192-K194 WeakPolarHBondContact OD1-CB 2.73Å; N192-K194 PolarHBondContact OD1-N 3.33Å; N192-K194 VanDerWaalsContact OD1-N 3.11Å; N192-D195 HydrophobicContact CB-CB 4.28Å; N192-D195 VanDerWaalsContact ND2-CG 3.26Å; N192-D195 PolarHBondContact ND2-OD2 2.88Å; N192-D195 PolarHBondContact O-N 2.99Å; N192-L196 WeakPolarHBondContact O-CG 3.43Å; N192-L196 PolarHBondContact O-N 3.07Å; N192-L196 VanDerWaalsContact O-N 3.07Å
193	P	98.5	Very high	97.9	Very high	92 Å²	92	56.3 Å²	56.3	60%	0.597	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-29.8	-177.6	-28.1	35.9	0	0	0	115.4	D195	P193-D195 VanDerWaalsContact C-N 3.34Å
194	K	98.4	Very high	97.8	Very high	140 Å²	140	55.4 Å²	55.4	61%	0.609	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-39	177.7	-177.4	-170.1	171	-164.8	0	111.4	N192 P197	N192-K194 PolarHBondContact O-N 3.24Å; N192-K194 VanDerWaalsContact O-N 3.09Å; N192-K194 WeakPolarHBondContact OD1-CB 2.73Å; N192-K194 PolarHBondContact OD1-N 3.33Å; N192-K194 VanDerWaalsContact OD1-N 3.11Å; K194-P197 WeakPolarHBondContact O-CD 3.32Å
195	D	98.4	Very high	97.8	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-14	-170.3	-64.3	-4.4	0	0	0	112.8	P142 Q147 N192 P193 P197 I198 M199	P142-D195 HydrophobicContact CG-CB 3.84Å; Q147-D195 PolarHBondContact NE2-OD2 3.07Å; N192-D195 HydrophobicContact CB-CB 4.28Å; N192-D195 VanDerWaalsContact ND2-CG 3.26Å; N192-D195 PolarHBondContact ND2-OD2 2.88Å; N192-D195 PolarHBondContact O-N 2.99Å; P193-D195 VanDerWaalsContact C-N 3.34Å; D195-P197 VanDerWaalsContact C-N 3.3Å; D195-I198 HydrophobicContact CB-CD1 4.49Å; D195-I198 HydrophobicContact CB-CG1 4.26Å; D195-I198 WeakPolarHBondContact O-CG1 3.29Å; D195-I198 PolarHBondContact O-N 3.42Å; D195-M199 HydrophobicContact CB-CE 3.65Å; D195-M199 WeakPolarHBondContact O-CG 3.24Å; D195-M199 PolarHBondContact O-N 2.95Å
196	L	98.3	Very high	97.7	Very high	36 Å²	36	36 Å²	36	19%	0.188	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-48.5	-43.3	177.2	-68.8	176.5	0	0	0	113.9	W191 N192 I198 M199 P202	W191-L196 HydrophobicContact CD2-CD1 4.29Å; W191-L196 HydrophobicContact CD2-CD2 4.18Å; W191-L196 HydrophobicContact CE3-CD2 4Å; W191-L196 HydrophobicContact CH2-CD1 3.97Å; W191-L196 HydrophobicContact CH2-CD2 4.13Å; W191-L196 HydrophobicContact CZ2-CD1 3.47Å; W191-L196 VanDerWaalsContact CZ2-CD1 3.47Å; W191-L196 HydrophobicContact CZ2-CD2 4.33Å; W191-L196 HydrophobicContact CZ3-CD2 3.93Å; N192-L196 WeakPolarHBondContact O-CG 3.43Å; N192-L196 PolarHBondContact O-N 3.07Å; N192-L196 VanDerWaalsContact O-N 3.07Å; L196-I198 PolarHBondContact O-N 2.8Å; L196-M199 HydrophobicContact CD2-SD 4.08Å; L196-M199 PolarHBondContact O-N 2.8Å; L196-P202 HydrophobicContact CD2-CB 4.13Å
197	P	98	Very high	97.7	Very high	95 Å²	95	39 Å²	39	62%	0.617	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-67.2	-14.5	-179.4	-21.1	35.2	0	0	0	114.4	F132 K194 D195	F132-P197 WeakPolarHBondContact CZ-O 3.34Å; K194-P197 WeakPolarHBondContact O-CD 3.32Å; D195-P197 VanDerWaalsContact C-N 3.3Å
198	I	97.8	Very high	97.7	Very high	60 Å²	60	35.9 Å²	35.9	31%	0.308	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-110.8	7.8	-178.3	61.9	166.6	0	0	0	113	R135 P142 D195 L196	R135-I198 VanDerWaalsContact CZ-O 3.23Å; R135-I198 PolarHBondContact NH1-O 2.68Å; R135-I198 PolarHBondContact NH2-O 3.44Å; P142-I198 HydrophobicContact CG-CD1 3.65Å; P142-I198 HydrophobicContact CG-CG1 3.72Å; D195-I198 HydrophobicContact CB-CD1 4.49Å; D195-I198 HydrophobicContact CB-CG1 4.26Å; D195-I198 WeakPolarHBondContact O-CG1 3.29Å; D195-I198 PolarHBondContact O-N 3.42Å; L196-I198 PolarHBondContact O-N 2.8Å
199	M	98.3	Very high	97.7	Very high	7 Å²	7	38.9 Å²	38.9	3%	0.034	21%	0.209	C	C	.	.			trans	-91.8	138.6	174.3	-67.2	170	-172.7	0	0	110.9	P142 V143 Q147 D195 L196 L201 P203	P142-M199 HydrophobicContact CG-CG 4.21Å; P142-M199 WeakPolarHBondContact O-CE 3.35Å; V143-M199 HydrophobicContact CG1-CB 4.24Å; V143-M199 HydrophobicContact CG1-CG 4.34Å; Q147-M199 HydrophobicContact CG-CE 3.95Å; D195-M199 HydrophobicContact CB-CE 3.65Å; D195-M199 WeakPolarHBondContact O-CG 3.24Å; D195-M199 PolarHBondContact O-N 2.95Å; L196-M199 HydrophobicContact CD2-SD 4.08Å; L196-M199 PolarHBondContact O-N 2.8Å; M199-L201 PolarHBondContact O-N 2.79Å; M199-P203 VanDerWaalsContact SD-CD 3.54Å; M199-P203 HydrophobicContact SD-CG 4.06Å
200	A	96.4	Very high	97.8	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.033	20%	0.2	C	C	.	.	S	Bend	trans	-62.2	-34.7	172.8	0	0	0	0	0	111.9	F126 L127 L130 L140	F126-A200 WeakPolarHBondContact CE1-O 3.25Å; L127-A200 HydrophobicContact CD2-CB 4.14Å; L130-A200 WeakPolarHBondContact CD1-O 3.39Å; L140-A200 HydrophobicContact CB-CB 4.3Å; L140-A200 HydrophobicContact CD2-CB 3.98Å; L140-A200 WeakPolarHBondContact O-CB 3.3Å; L140-A200 PolarHBondContact O-N 2.72Å
201	L	93.8	Very high	97.8	Very high	29 Å²	29	44 Å²	44	15%	0.152	23%	0.225	C	C	.	.	S	Bend	trans	-142.5	121.6	171.7	-171.9	66.3	0	0	0	110.1	W118 M199	W118-L201 HydrophobicContact CH2-CB 4.43Å; W118-L201 HydrophobicContact CH2-CD2 4.07Å; W118-L201 HydrophobicContact CZ3-CB 4.06Å; W118-L201 HydrophobicContact CZ3-CD2 4.13Å; M199-L201 PolarHBondContact O-N 2.79Å
202	P	95.4	Very high	97.8	Very high	43 Å²	43	40.4 Å²	40.4	28%	0.279	21%	0.213	S	C	.	.			trans	-57.1	140.5	174.5	-30	37.8	0	0	0	112.3	W191 L196 C204 R224	W191-P202 HydrophobicContact CZ3-CB 4.22Å; L196-P202 HydrophobicContact CD2-CB 4.13Å; P202-C204 PolarHBondContact O-N 3.26Å; P202-R224 PolarHBondContact O-NH2 3.11Å
203	P	97.1	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.			trans	-56.3	124.3	-174.1	-30.3	36.9	0	0	0	113.4	Y144 A190 M199 R224	Y144-P203 HydrophobicContact CD1-CB 3.97Å; Y144-P203 HydrophobicContact CD1-CG 4.46Å; Y144-P203 VanDerWaalsContact CE1-CA 3.45Å; Y144-P203 HydrophobicContact CE1-CB 3.5Å; Y144-P203 HydrophobicContact CE1-CG 4.3Å; A190-P203 HydrophobicContact CB-CB 3.82Å; A190-P203 HydrophobicContact CB-CG 3.94Å; A190-P203 WeakPolarHBondContact O-CG 3.26Å; M199-P203 VanDerWaalsContact SD-CD 3.54Å; M199-P203 HydrophobicContact SD-CG 4.06Å; P203-R224 PolarHBondContact O-NE 2.89Å
204	C	97.2	Very high	97.6	Very high	27 Å²	27	45 Å²	45	18%	0.182	24%	0.236	C	C	.	.	S	Bend	trans	-76.5	-51.5	173.3	-70.8	0	0	0	0	110.6	Y144 P202 A206 Q223 R224	Y144-C204 PolarHBondContact OH-N 3.34Å; P202-C204 PolarHBondContact O-N 3.26Å; C204-A206 PolarHBondContact O-N 2.99Å; C204-Q223 CarbonylContact O-C 3.39Å; C204-Q223 VanDerWaalsContact O-CA 3.28Å; C204-Q223 WeakPolarHBondContact O-CA 3.41Å; C204-Q223 WeakPolarHBondContact O-CG 3.25Å; C204-R224 WeakPolarHBondContact O-CG 3.12Å; C204-R224 PolarHBondContact O-N 3.18Å
205	H	97.8	Very high	97.6	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.032	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	97.5	171	38	107.3	0	0	0	108.8	F100 Y144 L221 Y239	F100-H205 AromaticContact CE2-CE1 3.89Å; Y144-H205 AromaticContact CD1-CE1 3.16Å; Y144-H205 WeakPolarHBondContact CD1-CE1 3.44Å; Y144-H205 AromaticContact CD1-ND1 3.44Å; Y144-H205 WeakPolarHBondContact CD1-ND1 3.16Å; Y144-H205 AromaticContact CD1-NE2 3.8Å; Y144-H205 AromaticContact CE1-CD2 3.65Å; Y144-H205 AromaticContact CE1-CE1 3.12Å; Y144-H205 WeakPolarHBondContact CE1-CE1 3.47Å; Y144-H205 AromaticContact CE1-CG 3.73Å; Y144-H205 AromaticContact CE1-ND1 3.42Å; Y144-H205 WeakPolarHBondContact CE1-ND1 3.42Å; Y144-H205 AromaticContact CE1-NE2 3.26Å; Y144-H205 VanDerWaalsContact CE1-NE2 3.26Å; Y144-H205 WeakPolarHBondContact CE1-NE2 3.29Å; Y144-H205 AromaticContact CG-CE1 3.73Å; Y144-H205 AromaticContact CZ-CD2 3.98Å; Y144-H205 AromaticContact CZ-CE1 3.67Å; Y144-H205 AromaticContact CZ-NE2 3.4Å; H205-L221 HydrophobicContact CB-CD1 3.73Å; H205-L221 HydrophobicContact CB-CD2 4.15Å; H205-L221 HydrophobicContact CB-CG 4.46Å; H205-Y239 HydrophobicContact CB-CE2 3.78Å; H205-Y239 AromaticContact CG-CE2 3.75Å; H205-Y239 AromaticContact ND1-CE2 3.54Å; H205-Y239 AromaticContact ND1-CZ 3.66Å; H205-Y239 PolarHBondContact ND1-OH 2.87Å
206	A	96.6	Very high	97.6	Very high	8 Å²	8	42 Å²	42	7%	0.066	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-38.4	-162	0	0	0	0	0	113	A190 W191 C204 Y222	A190-A206 PolarHBondContact N-O 3.29Å; W191-A206 HydrophobicContact CB-CB 4.26Å; W191-A206 HydrophobicContact CE3-CB 4.49Å; W191-A206 PolarHBondContact N-O 3.41Å; C204-A206 PolarHBondContact O-N 2.99Å; A206-Y222 HydrophobicContact CB-CD1 4.27Å; A206-Y222 PolarHBondContact N-O 3.06Å
207	L	98.5	Very high	97.7	Very high	62 Å²	62	40.3 Å²	40.3	33%	0.325	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	136.7	-174.9	-178.7	149.2	0	0	0	110	I187 M188 C189 Y222	I187-L207 HydrophobicContact CG2-CD1 3.89Å; I187-L207 HydrophobicContact CG2-CD2 4.15Å; I187-L207 HydrophobicContact CG2-CG 3.87Å; M188-L207 WeakPolarHBondContact O-CA 3.49Å; C189-L207 HydrophobicContact CB-CD1 4.43Å; L207-Y222 PolarHBondContact N-O 3.02Å; L207-Y222 PolarHBondContact O-N 3.33Å
208	C	98.7	Very high	97.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.1	168.1	62	0	0	0	0	111.4	I187 M188 Q220 L221 Y239	I187-C208 WeakPolarHBondContact CA-O 3.2Å; M188-C208 PolarHBondContact N-O 3.15Å; M188-C208 PolarHBondContact O-N 2.9Å; C208-Q220 CarbonylContact C-O 3.53Å; C208-Q220 WeakPolarHBondContact CA-O 3.46Å; C208-Q220 WeakPolarHBondContact CB-O 3.34Å; C208-L221 HydrophobicContact CB-CD1 4.22Å; C208-Y239 HydrophobicContact CB-CD1 4.31Å; C208-Y239 HydrophobicContact CB-CE1 3.88Å
209	Q	98.9	Very high	97.8	Very high	65 Å²	65	34 Å²	34	30%	0.304	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.7	175.5	178.6	174	-6.4	0	0	109.1	I186 I187 C219 Q220	I186-Q209 CarbonylContact O-C 3.47Å; I186-Q209 WeakPolarHBondContact O-CA 3.42Å; I187-Q209 HydrophobicContact CG1-CB 4.12Å; I187-Q209 HydrophobicContact CG1-CG 4.04Å; Q209-C219 CarbonylContact O-C 3.56Å; Q209-C219 WeakPolarHBondContact O-CA 3.2Å; Q209-Q220 PolarHBondContact N-O 2.74Å; Q209-Q220 PolarHBondContact O-N 2.79Å
210	F	98.9	Very high	97.8	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	150.9	174.2	-63.7	-90.3	0	0	0	110.8	I173 I177 I186 L217 S218 C219 L242 I246	I173-F210 HydrophobicContact CD1-CD2 3.68Å; I173-F210 HydrophobicContact CD1-CE2 3.26Å; I173-F210 HydrophobicContact CD1-CZ 3.94Å; I177-F210 HydrophobicContact CD1-CB 4.35Å; I186-F210 HydrophobicContact CB-CB 4.19Å; I186-F210 HydrophobicContact CG2-CB 3.74Å; I186-F210 HydrophobicContact CG2-CD2 4.29Å; I186-F210 HydrophobicContact CG2-CG 4.41Å; I186-F210 PolarHBondContact O-N 3.17Å; F210-L217 HydrophobicContact CB-CD1 4.07Å; F210-L217 HydrophobicContact CD1-CD1 4.14Å; F210-L217 HydrophobicContact CD1-CD2 4.29Å; F210-L217 HydrophobicContact CD1-CG 4.28Å; F210-S218 WeakPolarHBondContact CA-O 3.48Å; F210-C219 HydrophobicContact CD1-CB 4.05Å; F210-C219 HydrophobicContact CE1-CB 3.93Å; F210-L242 HydrophobicContact CZ-CD2 4.12Å; F210-L242 HydrophobicContact CZ-CG 4.42Å; F210-I246 HydrophobicContact CE1-CD1 3.78Å; F210-I246 HydrophobicContact CE2-CD1 4.43Å; F210-I246 HydrophobicContact CZ-CD1 3.7Å
211	Y	98.8	Very high	97.9	Very high	135 Å²	135	37.4 Å²	37.4	53%	0.529	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	126.6	-178	175	-109.5	0	0	0	109.4	C213 S218	Y211-C213 HydrophobicContact CD1-CB 4.15Å; Y211-C213 HydrophobicContact CE1-CB 3.32Å; Y211-C213 HydrophobicContact CE2-CB 4.48Å; Y211-C213 WeakPolarHBondContact OH-CB 3.33Å; Y211-C213 PolarHBondContact OH-SG 3.1Å; Y211-S218 PolarHBondContact N-O 3.18Å; Y211-S218 PolarHBondContact O-N 3.14Å
212	V	98.8	Very high	98.1	Very high	21 Å²	21	40.6 Å²	40.6	13%	0.127	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.2	175.5	-174	0	0	0	0	109.4	I177 P181 E216 L217 L252	I177-V212 HydrophobicContact CG1-CG2 4.32Å; I177-V212 HydrophobicContact CG2-CG2 4.04Å; P181-V212 HydrophobicContact CB-CB 3.85Å; P181-V212 HydrophobicContact CB-CG1 3.79Å; P181-V212 HydrophobicContact CB-CG2 4.03Å; P181-V212 WeakPolarHBondContact O-CB 3.47Å; V212-E216 VanDerWaalsContact CA-O 3.29Å; V212-E216 WeakPolarHBondContact CA-O 3.35Å; V212-L217 HydrophobicContact CG2-CD1 3.82Å; V212-L252 HydrophobicContact CG1-CD1 3.83Å; V212-L252 HydrophobicContact CG1-CD2 4.1Å; V212-L252 HydrophobicContact CG2-CD1 3.86Å
213	C	98	Very high	98.3	Very high	46 Å²	46	38.7 Å²	38.7	31%	0.311	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	142	174.7	-170.6	0	0	0	0	109.4	Y211 G215 E216	Y211-C213 HydrophobicContact CD1-CB 4.15Å; Y211-C213 HydrophobicContact CE1-CB 3.32Å; Y211-C213 HydrophobicContact CE2-CB 4.48Å; Y211-C213 WeakPolarHBondContact OH-CB 3.33Å; Y211-C213 PolarHBondContact OH-SG 3.1Å; C213-G215 PolarHBondContact O-N 2.92Å; C213-G215 VanDerWaalsContact O-N 3.08Å; C213-E216 PolarHBondContact N-O 2.75Å; C213-E216 WeakPolarHBondContact O-CA 3.34Å; C213-E216 WeakPolarHBondContact O-CB 3.37Å; C213-E216 PolarHBondContact O-N 2.81Å
214	D	96.6	Very high	98.3	Very high	155 Å²	155	42.2 Å²	42.2	83%	0.829	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	34.1	177.3	-60.9	-27.6	0	0	0	115	E216	D214-E216 PolarHBondContact O-N 3.36Å
215	G	98.1	Very high	98.3	Very high	38 Å²	38	42.5 Å²	42.5	39%	0.392	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	13	-177.9	0	0	0	0	0	114.3	C213 K253	C213-G215 PolarHBondContact O-N 2.92Å; C213-G215 VanDerWaalsContact O-N 3.08Å; G215-K253 PolarHBondContact O-N 3.28Å
216	E	98.8	Very high	98.3	Very high	43 Å²	43	42.1 Å²	42.1	20%	0.201	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	146.5	179.5	-57.1	-175.3	156.2	0	0	112	R77 V212 C213 D214 K253	R77-E216 WeakPolarHBondContact CD-OE1 3.36Å; R77-E216 IonicContact CZ-OE1 2.69Å; R77-E216 IonicContact CZ-OE2 3.79Å; R77-E216 VanDerWaalsContact NE-CD 3.28Å; R77-E216 IonicContact NE-OE1 3.72Å; R77-E216 PolarHBondContact NE-OE1 2.79Å; R77-E216 IonicContact NE-OE2 2.76Å; R77-E216 PolarHBondContact NE-OE2 2.68Å; R77-E216 IonicContact NH2-OE2 2.75Å; R77-E216 PolarHBondContact NH2-OE2 3.36Å; V212-E216 VanDerWaalsContact CA-O 3.29Å; V212-E216 WeakPolarHBondContact CA-O 3.35Å; C213-E216 PolarHBondContact N-O 2.75Å; C213-E216 WeakPolarHBondContact O-CA 3.34Å; C213-E216 WeakPolarHBondContact O-CB 3.37Å; C213-E216 PolarHBondContact O-N 2.81Å; D214-E216 PolarHBondContact O-N 3.36Å; E216-K253 CarbonylContact C-O 3.48Å; E216-K253 WeakPolarHBondContact CA-O 3.46Å; E216-K253 HydrophobicContact CG-CB 4.23Å
217	L	98.9	Very high	98.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.3	173.6	-177.2	70.6	0	0	0	109.8	I177 F210 V212 T243 I246 A247 L252 K253 G255	I177-L217 HydrophobicContact CD1-CD1 3.79Å; I177-L217 HydrophobicContact CD1-CD2 4.45Å; I177-L217 HydrophobicContact CG1-CD1 4.31Å; F210-L217 HydrophobicContact CB-CD1 4.07Å; F210-L217 HydrophobicContact CD1-CD1 4.14Å; F210-L217 HydrophobicContact CD1-CD2 4.29Å; F210-L217 HydrophobicContact CD1-CG 4.28Å; V212-L217 HydrophobicContact CG2-CD1 3.82Å; L217-T243 HydrophobicContact CD2-CG2 4.28Å; L217-T243 HydrophobicContact CG-CG2 4.23Å; L217-T243 WeakPolarHBondContact O-CG2 3.28Å; L217-I246 HydrophobicContact CD2-CB 3.7Å; L217-I246 HydrophobicContact CD2-CG2 3.49Å; L217-I246 VanDerWaalsContact CD2-CG2 3.49Å; L217-A247 HydrophobicContact CB-CB 4.12Å; L217-A247 HydrophobicContact CD2-CB 4.11Å; L217-L252 HydrophobicContact CB-CB 4.29Å; L217-L252 HydrophobicContact CB-CD1 4.02Å; L217-L252 HydrophobicContact CD1-CD1 4.41Å; L217-K253 PolarHBondContact N-O 3.4Å; L217-G255 PolarHBondContact O-N 3.25Å
218	S	98.9	Very high	98.3	Very high	19 Å²	19	40 Å²	40	13%	0.133	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	156.2	172.1	-59.5	0	0	0	0	111.2	F210 Y211 D256	F210-S218 WeakPolarHBondContact CA-O 3.48Å; Y211-S218 PolarHBondContact N-O 3.18Å; Y211-S218 PolarHBondContact O-N 3.14Å; S218-D256 CarbonylContact C-O 3.09Å; S218-D256 WeakPolarHBondContact CA-O 3.48Å; S218-D256 VanDerWaalsContact CB-O 3.25Å; S218-D256 WeakPolarHBondContact CB-O 3.45Å; S218-D256 PolarHBondContact OG-N 2.9Å
219	C	98.9	Very high	98.3	Very high	2 Å²	2	40 Å²	40	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.6	178.9	175.6	0	0	0	0	110.5	Q209 F210 T243 D256 F257 V258	Q209-C219 CarbonylContact O-C 3.56Å; Q209-C219 WeakPolarHBondContact O-CA 3.2Å; F210-C219 HydrophobicContact CD1-CB 4.05Å; F210-C219 HydrophobicContact CE1-CB 3.93Å; C219-T243 HydrophobicContact CB-CG2 4.18Å; C219-T243 WeakPolarHBondContact CB-OG1 3.33Å; C219-D256 PolarHBondContact N-O 2.72Å; C219-F257 HydrophobicContact CB-CD2 4.33Å; C219-F257 CarbonylContact O-C 3.59Å; C219-F257 WeakPolarHBondContact O-CA 3.45Å; C219-V258 PolarHBondContact O-N 3.25Å
220	Q	98.8	Very high	98.1	Very high	83 Å²	83	39.2 Å²	39.2	39%	0.388	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.9	168.2	-178	176.2	1.6	0	0	109.7	C208 Q209 V258 T260	C208-Q220 CarbonylContact C-O 3.53Å; C208-Q220 WeakPolarHBondContact CA-O 3.46Å; C208-Q220 WeakPolarHBondContact CB-O 3.34Å; Q209-Q220 PolarHBondContact N-O 2.74Å; Q209-Q220 PolarHBondContact O-N 2.79Å; Q220-V258 CarbonylContact C-O 3.47Å; Q220-V258 VanDerWaalsContact CA-O 3.29Å; Q220-V258 WeakPolarHBondContact CA-O 3.41Å; Q220-V258 HydrophobicContact CB-CB 4.2Å; Q220-V258 HydrophobicContact CG-CB 4.1Å; Q220-V258 HydrophobicContact CG-CG1 4.16Å; Q220-T260 PolarHBondContact NE2-OG1 2.79Å
221	L	98.8	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.5	176.6	172.9	62.5	0	0	0	110.8	H205 C208 Y239 F257 V258 T260	H205-L221 HydrophobicContact CB-CD1 3.73Å; H205-L221 HydrophobicContact CB-CD2 4.15Å; H205-L221 HydrophobicContact CB-CG 4.46Å; C208-L221 HydrophobicContact CB-CD1 4.22Å; L221-Y239 HydrophobicContact CB-CD1 4.49Å; L221-Y239 HydrophobicContact CD1-CD1 4.24Å; L221-Y239 HydrophobicContact CD1-CE1 3.79Å; L221-Y239 HydrophobicContact CD1-CE2 4.1Å; L221-Y239 HydrophobicContact CD2-CD1 4.26Å; L221-Y239 HydrophobicContact CD2-CD2 3.57Å; L221-Y239 HydrophobicContact CD2-CE1 4.44Å; L221-Y239 HydrophobicContact CD2-CE2 3.76Å; L221-Y239 HydrophobicContact CD2-CG 3.82Å; L221-F257 HydrophobicContact CB-CE2 3.72Å; L221-F257 HydrophobicContact CB-CZ 4.13Å; L221-F257 HydrophobicContact CD2-CE2 4.36Å; L221-F257 HydrophobicContact CD2-CZ 4.12Å; L221-V258 PolarHBondContact N-O 2.68Å; L221-T260 WeakPolarHBondContact O-CA 3.46Å; L221-T260 VanDerWaalsContact O-CB 3.3Å; L221-T260 WeakPolarHBondContact O-CB 3.39Å; L221-T260 PolarHBondContact O-N 3.23Å
222	Y	98.8	Very high	98	Very high	96 Å²	96	33.9 Å²	33.9	38%	0.376	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.6	161.4	178.8	-101.8	0	0	0	110.7	A206 L207 R224 T260	A206-Y222 HydrophobicContact CB-CD1 4.27Å; A206-Y222 PolarHBondContact N-O 3.06Å; L207-Y222 PolarHBondContact N-O 3.02Å; L207-Y222 PolarHBondContact O-N 3.33Å; Y222-R224 HydrophobicContact CE1-CB 4.16Å; Y222-T260 WeakPolarHBondContact CA-O 3.21Å; Y222-T260 HydrophobicContact CD2-CG2 3.96Å
223	Q	98.7	Very high	97.9	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.019	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	113.9	176.8	175.2	165.3	-2.9	0	0	110	C204 S225 A226 N235 H259 T260 L261 G262	C204-Q223 CarbonylContact O-C 3.39Å; C204-Q223 VanDerWaalsContact O-CA 3.28Å; C204-Q223 WeakPolarHBondContact O-CA 3.41Å; C204-Q223 WeakPolarHBondContact O-CG 3.25Å; Q223-S225 VanDerWaalsContact C-N 3.3Å; Q223-S225 VanDerWaalsContact CG-O 3.29Å; Q223-S225 WeakPolarHBondContact CG-O 3.48Å; Q223-S225 PolarHBondContact NE2-O 3.47Å; Q223-S225 PolarHBondContact O-N 3.18Å; Q223-A226 HydrophobicContact CG-CB 4.13Å; Q223-N235 PolarHBondContact NE2-OD1 3.34Å; Q223-N235 PolarHBondContact OE1-OD1 2.77Å; Q223-H259 PolarHBondContact OE1-CE1 3.02Å; Q223-H259 VanDerWaalsContact OE1-CE1 3.24Å; Q223-H259 PolarHBondContact OE1-NE2 2.99Å; Q223-T260 PolarHBondContact N-O 3.38Å; Q223-L261 HydrophobicContact CB-CD2 4.2Å; Q223-L261 CarbonylContact O-C 3.55Å; Q223-L261 WeakPolarHBondContact O-CA 3.34Å; Q223-G262 PolarHBondContact O-N 3.11Å
224	R	98	Very high	97.9	Very high	73 Å²	73	33 Å²	33	28%	0.275	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-26.9	-174.4	60.8	159.4	-172.1	89.5	5.8	114	W191 P202 P203 C204 Y222 D263	W191-R224 VanDerWaalsContact CZ3-CD 3.41Å; W191-R224 VanDerWaalsContact CZ3-NE 3.26Å; P202-R224 PolarHBondContact O-NH2 3.11Å; P203-R224 PolarHBondContact O-NE 2.89Å; C204-R224 WeakPolarHBondContact O-CG 3.12Å; C204-R224 PolarHBondContact O-N 3.18Å; Y222-R224 HydrophobicContact CE1-CB 4.16Å; R224-D263 PolarHBondContact O-N 3.3Å
225	S	96.9	Very high	98	Very high	33 Å²	33	26.2 Å²	26.2	23%	0.231	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	117.1	-172.5	-176.1	0	0	0	0	108.4	Q223 H265	Q223-S225 VanDerWaalsContact C-N 3.3Å; Q223-S225 VanDerWaalsContact CG-O 3.29Å; Q223-S225 WeakPolarHBondContact CG-O 3.48Å; Q223-S225 PolarHBondContact NE2-O 3.47Å; Q223-S225 PolarHBondContact O-N 3.18Å; S225-H265 PolarHBondContact OG-CE1 3.27Å
226	A	97.6	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	94.9	-165.2	0	0	0	0	0	111.3	Q223 M228 V232 L261 D263 H265	Q223-A226 HydrophobicContact CG-CB 4.13Å; A226-M228 PolarHBondContact O-N 3.09Å; A226-V232 HydrophobicContact CB-CG2 3.68Å; A226-L261 HydrophobicContact CB-CB 4.19Å; A226-L261 HydrophobicContact CB-CD1 4.37Å; A226-L261 HydrophobicContact CB-CD2 3.73Å; A226-L261 HydrophobicContact CB-CG 4.31Å; A226-D263 PolarHBondContact N-O 3.35Å; A226-H265 VanDerWaalsContact C-CE1 3.45Å; A226-H265 PolarHBondContact N-CE1 2.91Å; A226-H265 PolarHBondContact O-N 2.93Å; A226-H265 PolarHBondContact O-ND1 3.08Å
227	D	97.4	Very high	98.1	Very high	23 Å²	23	22.3 Å²	22.3	12%	0.123	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	107.6	169.5	171.3	12.5	0	0	0	109.4	G229 L230 G231 V232 Y267 H270	D227-G229 PolarHBondContact O-N 2.75Å; D227-G229 WeakPolarHBondContact OD1-CA 3.22Å; D227-G229 PolarHBondContact OD1-N 2.71Å; D227-L230 PolarHBondContact OD1-N 3.12Å; D227-L230 WeakPolarHBondContact OD2-CB 3.26Å; D227-L230 PolarHBondContact OD2-N 3.29Å; D227-G231 PolarHBondContact O-N 3.13Å; D227-G231 VanDerWaalsContact O-N 3.13Å; D227-V232 WeakPolarHBondContact O-CG2 3.27Å; D227-V232 PolarHBondContact O-N 3.37Å; D227-Y267 HydrophobicContact CB-CD2 4.5Å; D227-Y267 HydrophobicContact CB-CE2 4.08Å; D227-H270 IonicContact OD1-ND1 2.95Å; D227-H270 IonicContact OD2-CE1 2.65Å
228	M	97.9	Very high	98.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.5	-179.3	-64.3	-59.7	-62.8	0	0	112.7	Y42 L45 A46 I49 A226 V232 L261 H265 V266	Y42-M228 HydrophobicContact CD2-CE 3.63Å; Y42-M228 HydrophobicContact CE2-CE 3.77Å; Y42-M228 VanDerWaalsContact CE2-O 3.28Å; Y42-M228 WeakPolarHBondContact CE2-O 3.29Å; Y42-M228 PolarHBondContact OH-O 3.03Å; L45-M228 HydrophobicContact CB-CE 4.13Å; L45-M228 HydrophobicContact CD2-CE 3.88Å; L45-M228 HydrophobicContact CD2-SD 4.14Å; L45-M228 HydrophobicContact CG-CE 3.99Å; A46-M228 HydrophobicContact CB-CE 4.3Å; I49-M228 HydrophobicContact CD1-CG 3.68Å; I49-M228 HydrophobicContact CD1-SD 4.29Å; A226-M228 PolarHBondContact O-N 3.09Å; M228-V232 HydrophobicContact CE-CG1 4.39Å; M228-V232 HydrophobicContact SD-CB 4.26Å; M228-V232 HydrophobicContact SD-CG1 4.25Å; M228-V232 HydrophobicContact SD-CG2 3.79Å; M228-L261 HydrophobicContact SD-CD1 4.13Å; M228-H265 WeakPolarHBondContact CB-O 3.17Å; M228-H265 WeakPolarHBondContact CG-O 3.46Å; M228-H265 PolarHBondContact N-O 3.29Å; M228-V266 HydrophobicContact CB-CG2 3.94Å; M228-V266 HydrophobicContact CG-CG2 4.35Å
229	G	97.1	Very high	98.1	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-53.6	-177.7	0	0	0	0	0	112.8	K86 D227	K86-G229 PolarHBondContact NZ-O 3.38Å; D227-G229 PolarHBondContact O-N 2.75Å; D227-G229 WeakPolarHBondContact OD1-CA 3.22Å; D227-G229 PolarHBondContact OD1-N 2.71Å
230	L	95.5	Very high	98.1	Very high	50 Å²	50	21.6 Å²	21.6	26%	0.262	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-54.1	-175.4	-63.8	168.4	0	0	0	113.1	D227 P233 F234 M318 M320	D227-L230 PolarHBondContact OD1-N 3.12Å; D227-L230 WeakPolarHBondContact OD2-CB 3.26Å; D227-L230 PolarHBondContact OD2-N 3.29Å; L230-P233 WeakPolarHBondContact O-CD 3.35Å; L230-F234 WeakPolarHBondContact O-CD2 3.38Å; L230-M318 HydrophobicContact CD1-CB 4.48Å; L230-M318 HydrophobicContact CD2-CB 3.87Å; L230-M318 HydrophobicContact CG-CB 4.17Å; L230-M320 HydrophobicContact CD1-CB 4.08Å; L230-M320 HydrophobicContact CD1-CG 4.49Å
231	G	96.6	Very high	98.1	Very high	22 Å²	22	17.6 Å²	17.6	23%	0.227	9%	0.088	C	C	.	.	H	α-helix	trans	-65.8	-53.2	-169.2	0	0	0	0	0	114.6	D227 F234 N235	D227-G231 PolarHBondContact O-N 3.13Å; D227-G231 VanDerWaalsContact O-N 3.13Å; G231-F234 WeakPolarHBondContact O-CA 3.16Å; G231-F234 WeakPolarHBondContact O-CB 3.43Å; G231-F234 PolarHBondContact O-N 3.38Å; G231-N235 VanDerWaalsContact C-OD1 3.28Å; G231-N235 VanDerWaalsContact O-CG 3.26Å; G231-N235 PolarHBondContact O-N 3.27Å; G231-N235 PolarHBondContact O-OD1 3.02Å
232	V	98.3	Very high	98.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	9%	0.088	C	C	.	.	H	α-helix	trans	-56.4	-46.1	-174.6	168	0	0	0	0	113.2	Y42 A226 D227 M228 F234 N235 I236	Y42-V232 HydrophobicContact CD2-CG1 3.79Å; Y42-V232 HydrophobicContact CE2-CB 4.36Å; Y42-V232 HydrophobicContact CE2-CG1 3.93Å; A226-V232 HydrophobicContact CB-CG2 3.68Å; D227-V232 WeakPolarHBondContact O-CG2 3.27Å; D227-V232 PolarHBondContact O-N 3.37Å; M228-V232 HydrophobicContact CE-CG1 4.39Å; M228-V232 HydrophobicContact SD-CB 4.26Å; M228-V232 HydrophobicContact SD-CG1 4.25Å; M228-V232 HydrophobicContact SD-CG2 3.79Å; V232-F234 VanDerWaalsContact C-N 3.27Å; V232-F234 PolarHBondContact O-N 3.19Å; V232-N235 PolarHBondContact O-N 2.54Å; V232-N235 VanDerWaalsContact O-N 3.1Å; V232-I236 HydrophobicContact CG1-CD1 3.67Å; V232-I236 HydrophobicContact CG1-CG1 4.17Å; V232-I236 WeakPolarHBondContact O-CD1 3.11Å; V232-I236 VanDerWaalsContact O-CG1 3.26Å; V232-I236 WeakPolarHBondContact O-CG1 3.39Å; V232-I236 PolarHBondContact O-N 2.83Å
233	P	98.3	Very high	98.1	Very high	4 Å²	4	13 Å²	13	3%	0.026	7%	0.07	C	C	.	.	H	α-helix	trans	-53	-40	172.5	-27.9	33.4	0	0	0	114.6	Y42 L83 V88 L230	Y42-P233 HydrophobicContact CE2-CG 4.02Å; L83-P233 HydrophobicContact CD1-CB 3.74Å; L83-P233 HydrophobicContact CD1-CG 3.72Å; L83-P233 HydrophobicContact CG-CB 4.42Å; V88-P233 HydrophobicContact CG2-CB 4.4Å; L230-P233 WeakPolarHBondContact O-CD 3.35Å
234	F	97.9	Very high	98.1	Very high	43 Å²	43	14 Å²	14	19%	0.189	7%	0.074	C	C	.	.	H	α-helix	trans	-69.1	-44.5	175.4	-87.9	-106.4	0	0	0	111.1	F89 I93 I117 L230 G231 V232 I236 A237 S238	F89-F234 HydrophobicContact CB-CZ 3.91Å; F89-F234 HydrophobicContact CD1-CZ 4.32Å; I93-F234 HydrophobicContact CD1-CD1 4.25Å; I93-F234 HydrophobicContact CD1-CG 4.49Å; I93-F234 HydrophobicContact CG1-CB 4.34Å; I93-F234 HydrophobicContact CG1-CD1 3.36Å; I93-F234 HydrophobicContact CG1-CE1 3.83Å; I93-F234 HydrophobicContact CG1-CG 3.96Å; I117-F234 HydrophobicContact CG2-CE1 4.45Å; L230-F234 WeakPolarHBondContact O-CD2 3.38Å; G231-F234 WeakPolarHBondContact O-CA 3.16Å; G231-F234 WeakPolarHBondContact O-CB 3.43Å; G231-F234 PolarHBondContact O-N 3.38Å; V232-F234 VanDerWaalsContact C-N 3.27Å; V232-F234 PolarHBondContact O-N 3.19Å; F234-I236 PolarHBondContact O-N 3.18Å; F234-A237 PolarHBondContact O-N 2.76Å; F234-S238 VanDerWaalsContact O-CB 3.24Å; F234-S238 WeakPolarHBondContact O-CB 3.46Å; F234-S238 PolarHBondContact O-N 3.33Å
235	N	98.6	Very high	98.1	Very high	13 Å²	13	10.5 Å²	10.5	7%	0.07	6%	0.061	C	C	.	.	H	α-helix	trans	-66.6	-36.3	-176.6	-58.4	135	0	0	0	112.6	Q223 G231 V232 Y239	Q223-N235 PolarHBondContact NE2-OD1 3.34Å; Q223-N235 PolarHBondContact OE1-OD1 2.77Å; G231-N235 VanDerWaalsContact C-OD1 3.28Å; G231-N235 VanDerWaalsContact O-CG 3.26Å; G231-N235 PolarHBondContact O-N 3.27Å; G231-N235 PolarHBondContact O-OD1 3.02Å; V232-N235 PolarHBondContact O-N 2.54Å; V232-N235 VanDerWaalsContact O-N 3.1Å; N235-Y239 PolarHBondContact O-N 2.92Å
236	I	98.7	Very high	98.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.9	-54.7	174.8	-65.3	156.5	0	0	0	110.3	Y42 Y74 P81 V232 F234 S238 A240 F257	Y42-I236 HydrophobicContact CD2-CD1 4.33Å; Y74-I236 HydrophobicContact CD1-CG2 4.09Å; Y74-I236 HydrophobicContact CD2-CG2 4.13Å; Y74-I236 HydrophobicContact CE1-CD1 4.21Å; Y74-I236 HydrophobicContact CE1-CG2 3.97Å; Y74-I236 HydrophobicContact CE2-CD1 4.2Å; Y74-I236 HydrophobicContact CE2-CG1 3.89Å; Y74-I236 HydrophobicContact CE2-CG2 3.99Å; Y74-I236 HydrophobicContact CG-CG2 4.19Å; Y74-I236 WeakPolarHBondContact OH-CD1 3.41Å; P81-I236 HydrophobicContact CB-CG2 3.82Å; P81-I236 HydrophobicContact CG-CG2 3.93Å; P81-I236 WeakPolarHBondContact O-CG2 3.33Å; V232-I236 HydrophobicContact CG1-CD1 3.67Å; V232-I236 HydrophobicContact CG1-CG1 4.17Å; V232-I236 WeakPolarHBondContact O-CD1 3.11Å; V232-I236 VanDerWaalsContact O-CG1 3.26Å; V232-I236 WeakPolarHBondContact O-CG1 3.39Å; V232-I236 PolarHBondContact O-N 2.83Å; F234-I236 PolarHBondContact O-N 3.18Å; I236-S238 PolarHBondContact O-N 3.02Å; I236-A240 WeakPolarHBondContact O-CB 3.36Å; I236-A240 PolarHBondContact O-N 3.19Å; I236-F257 HydrophobicContact CB-CE1 4.23Å; I236-F257 HydrophobicContact CG1-CE1 4.26Å; I236-F257 HydrophobicContact CG2-CD1 4.28Å; I236-F257 HydrophobicContact CG2-CE1 4.17Å
237	A	98.7	Very high	98.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-67.5	-37	-177.9	0	0	0	0	0	112.2	F80 L82 I93 F234 L241	F80-A237 HydrophobicContact CE1-CB 4.1Å; F80-A237 HydrophobicContact CZ-CB 4.07Å; F80-A237 WeakPolarHBondContact CZ-O 3.48Å; L82-A237 HydrophobicContact CD1-CB 3.92Å; I93-A237 HydrophobicContact CD1-CB 3.68Å; I93-A237 HydrophobicContact CG1-CB 4.48Å; I93-A237 HydrophobicContact CG2-CB 4.07Å; F234-A237 PolarHBondContact O-N 2.76Å; A237-L241 VanDerWaalsContact O-CB 3.23Å; A237-L241 WeakPolarHBondContact O-CB 3.06Å; A237-L241 PolarHBondContact O-N 2.78Å
238	S	98.8	Very high	98.3	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.014	5%	0.053	C	C	.	.	H	α-helix	trans	-63.6	-49.6	179.3	-176	0	0	0	0	112.2	F234 I236 L241 L242	F234-S238 VanDerWaalsContact O-CB 3.24Å; F234-S238 WeakPolarHBondContact O-CB 3.46Å; F234-S238 PolarHBondContact O-N 3.33Å; I236-S238 PolarHBondContact O-N 3.02Å; S238-L241 WeakPolarHBondContact O-CB 3.46Å; S238-L241 PolarHBondContact O-N 3.36Å; S238-L242 PolarHBondContact O-N 3.25Å
239	Y	98.9	Very high	98.4	Very high	3 Å²	3	10.4 Å²	10.4	1%	0.012	6%	0.056	C	C	.	.	H	α-helix	trans	-77.6	-27.3	-179.9	-82.8	-96.2	0	0	0	113.3	H205 C208 L221 N235 L242 T243 F257	H205-Y239 HydrophobicContact CB-CE2 3.78Å; H205-Y239 AromaticContact CG-CE2 3.75Å; H205-Y239 AromaticContact ND1-CE2 3.54Å; H205-Y239 AromaticContact ND1-CZ 3.66Å; H205-Y239 PolarHBondContact ND1-OH 2.87Å; C208-Y239 HydrophobicContact CB-CD1 4.31Å; C208-Y239 HydrophobicContact CB-CE1 3.88Å; L221-Y239 HydrophobicContact CB-CD1 4.49Å; L221-Y239 HydrophobicContact CD1-CD1 4.24Å; L221-Y239 HydrophobicContact CD1-CE1 3.79Å; L221-Y239 HydrophobicContact CD1-CE2 4.1Å; L221-Y239 HydrophobicContact CD2-CD1 4.26Å; L221-Y239 HydrophobicContact CD2-CD2 3.57Å; L221-Y239 HydrophobicContact CD2-CE1 4.44Å; L221-Y239 HydrophobicContact CD2-CE2 3.76Å; L221-Y239 HydrophobicContact CD2-CG 3.82Å; N235-Y239 PolarHBondContact O-N 2.92Å; Y239-L242 HydrophobicContact CD1-CD2 4.25Å; Y239-L242 HydrophobicContact CE1-CD2 4.3Å; Y239-T243 WeakPolarHBondContact O-CB 2.98Å; Y239-T243 PolarHBondContact O-N 3.44Å; Y239-T243 PolarHBondContact O-OG1 3.03Å; Y239-F257 VanDerWaalsContact CB-CE2 3.47Å; Y239-F257 HydrophobicContact CG-CE2 4.34Å
240	A	98.9	Very high	98.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.1	-48.9	165.1	0	0	0	0	0	110.4	L76 F80 P81 I236 L242 T243 Y244	L76-A240 HydrophobicContact CD2-CB 3.81Å; F80-A240 HydrophobicContact CD2-CB 4.36Å; F80-A240 HydrophobicContact CE2-CB 3.81Å; F80-A240 HydrophobicContact CZ-CB 4.4Å; P81-A240 HydrophobicContact CG-CB 3.59Å; I236-A240 WeakPolarHBondContact O-CB 3.36Å; I236-A240 PolarHBondContact O-N 3.19Å; A240-L242 PolarHBondContact O-N 3.21Å; A240-T243 WeakPolarHBondContact O-CB 3.46Å; A240-T243 PolarHBondContact O-N 3.07Å; A240-T243 VanDerWaalsContact O-N 3.12Å; A240-Y244 WeakPolarHBondContact O-CD2 3.4Å; A240-Y244 PolarHBondContact O-N 3.46Å
241	L	98.9	Very high	98.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-44.7	178.6	177.5	60.4	0	0	0	112.1	F80 W90 L94 L97 A237 S238 T243 Y244 M245 L288 F305	F80-L241 HydrophobicContact CE2-CB 4.12Å; F80-L241 HydrophobicContact CZ-CB 4.16Å; W90-L241 HydrophobicContact CH2-CD1 4.06Å; W90-L241 HydrophobicContact CH2-CD2 3.8Å; W90-L241 HydrophobicContact CH2-CG 4.41Å; W90-L241 HydrophobicContact CZ3-CD2 4.28Å; L94-L241 HydrophobicContact CB-CD2 4.47Å; L94-L241 HydrophobicContact CD1-CD2 3.73Å; L97-L241 HydrophobicContact CD2-CB 3.86Å; L97-L241 HydrophobicContact CD2-CD2 3.61Å; L97-L241 HydrophobicContact CD2-CG 3.55Å; A237-L241 VanDerWaalsContact O-CB 3.23Å; A237-L241 WeakPolarHBondContact O-CB 3.06Å; A237-L241 PolarHBondContact O-N 2.78Å; S238-L241 WeakPolarHBondContact O-CB 3.46Å; S238-L241 PolarHBondContact O-N 3.36Å; L241-T243 VanDerWaalsContact C-N 3.25Å; L241-T243 PolarHBondContact O-N 3.05Å; L241-Y244 WeakPolarHBondContact O-CB 3.39Å; L241-Y244 PolarHBondContact O-N 2.97Å; L241-Y244 VanDerWaalsContact O-N 3.14Å; L241-M245 HydrophobicContact CD1-CG 4.21Å; L241-M245 HydrophobicContact CD1-SD 4.33Å; L241-M245 HydrophobicContact CG-CG 4.41Å; L241-M245 HydrophobicContact CG-SD 4Å; L241-M245 VanDerWaalsContact O-CG 3.29Å; L241-M245 WeakPolarHBondContact O-CG 3.48Å; L241-M245 PolarHBondContact O-N 3.33Å; L241-L288 HydrophobicContact CD1-CD2 3.58Å; L241-F305 HydrophobicContact CD1-CD1 3.72Å; L241-F305 HydrophobicContact CD1-CE1 3.57Å; L241-F305 HydrophobicContact CD1-CZ 4.31Å
242	L	98.9	Very high	98.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57	-41.9	174.8	-179.3	61.1	0	0	0	111.6	L97 I101 W148 M188 F210 S238 Y239 A240 M245 I246	L97-L242 HydrophobicContact CD1-CB 4.15Å; L97-L242 HydrophobicContact CD1-CD1 4.36Å; L97-L242 HydrophobicContact CD2-CB 4.07Å; I101-L242 HydrophobicContact CD1-CD1 4.34Å; W148-L242 HydrophobicContact CH2-CD2 3.96Å; W148-L242 HydrophobicContact CZ3-CD2 4.15Å; M188-L242 HydrophobicContact CE-CD2 3.95Å; F210-L242 HydrophobicContact CZ-CD2 4.12Å; F210-L242 HydrophobicContact CZ-CG 4.42Å; S238-L242 PolarHBondContact O-N 3.25Å; Y239-L242 HydrophobicContact CD1-CD2 4.25Å; Y239-L242 HydrophobicContact CE1-CD2 4.3Å; A240-L242 PolarHBondContact O-N 3.21Å; L242-M245 PolarHBondContact O-N 3.31Å; L242-I246 HydrophobicContact CD1-CD1 3.87Å; L242-I246 HydrophobicContact CD1-CG1 4.2Å; L242-I246 HydrophobicContact CG-CD1 3.96Å; L242-I246 WeakPolarHBondContact O-CG1 3.29Å; L242-I246 PolarHBondContact O-N 3.32Å
243	T	98.9	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-43.9	177.1	-52.5	0	0	0	0	111.1	L76 L217 C219 Y239 A240 L241 A247	L76-T243 HydrophobicContact CD1-CG2 3.84Å; L217-T243 HydrophobicContact CD2-CG2 4.28Å; L217-T243 HydrophobicContact CG-CG2 4.23Å; L217-T243 WeakPolarHBondContact O-CG2 3.28Å; C219-T243 HydrophobicContact CB-CG2 4.18Å; C219-T243 WeakPolarHBondContact CB-OG1 3.33Å; Y239-T243 WeakPolarHBondContact O-CB 2.98Å; Y239-T243 PolarHBondContact O-N 3.44Å; Y239-T243 PolarHBondContact O-OG1 3.03Å; A240-T243 WeakPolarHBondContact O-CB 3.46Å; A240-T243 PolarHBondContact O-N 3.07Å; A240-T243 VanDerWaalsContact O-N 3.12Å; L241-T243 VanDerWaalsContact C-N 3.25Å; L241-T243 PolarHBondContact O-N 3.05Å; T243-A247 WeakPolarHBondContact O-CB 3.5Å; T243-A247 PolarHBondContact O-N 2.9Å
244	Y	98.8	Very high	98.7	Very high	24 Å²	24	21.5 Å²	21.5	9%	0.094	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-45.1	173.4	-92.9	-100.9	0	0	0	112.4	L76 Q79 F80 A240 L241 A247 H248 P254 L288	L76-Y244 HydrophobicContact CB-CE2 3.84Å; L76-Y244 HydrophobicContact CD1-CD2 4.38Å; L76-Y244 HydrophobicContact CD1-CE2 4.34Å; L76-Y244 HydrophobicContact CD2-CE2 4.41Å; L76-Y244 HydrophobicContact CG-CE2 4.44Å; L76-Y244 PolarHBondContact O-OH 3.42Å; Q79-Y244 PolarHBondContact O-OH 3.39Å; F80-Y244 HydrophobicContact CD2-CD2 4.18Å; F80-Y244 AromaticContact CD2-CE2 3.89Å; F80-Y244 HydrophobicContact CD2-CE2 3.89Å; F80-Y244 HydrophobicContact CE2-CD2 4.49Å; A240-Y244 WeakPolarHBondContact O-CD2 3.4Å; A240-Y244 PolarHBondContact O-N 3.46Å; L241-Y244 WeakPolarHBondContact O-CB 3.39Å; L241-Y244 PolarHBondContact O-N 2.97Å; L241-Y244 VanDerWaalsContact O-N 3.14Å; Y244-A247 PolarHBondContact O-N 3.39Å; Y244-H248 VanDerWaalsContact O-CB 3.31Å; Y244-H248 WeakPolarHBondContact O-CB 3.28Å; Y244-H248 PolarHBondContact O-N 3.21Å; Y244-P254 HydrophobicContact CD1-CB 4.4Å; Y244-P254 HydrophobicContact CD1-CG 4.04Å; Y244-P254 HydrophobicContact CD2-CB 3.99Å; Y244-P254 HydrophobicContact CD2-CG 4.38Å; Y244-P254 HydrophobicContact CE1-CB 4.39Å; Y244-P254 HydrophobicContact CE1-CG 3.74Å; Y244-P254 HydrophobicContact CE2-CB 3.98Å; Y244-P254 HydrophobicContact CE2-CG 4.11Å; Y244-P254 HydrophobicContact CG-CB 4.23Å; Y244-P254 HydrophobicContact CG-CG 4.37Å; Y244-L288 HydrophobicContact CD1-CB 4.48Å; Y244-L288 HydrophobicContact CD1-CD2 3.8Å; Y244-L288 HydrophobicContact CD1-CG 4.45Å; Y244-L288 HydrophobicContact CD2-CD2 4.32Å; Y244-L288 HydrophobicContact CE1-CB 4.17Å; Y244-L288 HydrophobicContact CE1-CD2 4.29Å; Y244-L288 HydrophobicContact CG-CD2 3.8Å
245	M	98.9	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-45.3	-179.6	-68.6	170.3	76.2	0	0	112	L97 L98 I101 L241 L242 H248 I249 I297 F300 F305	L97-M245 HydrophobicContact CD2-SD 3.7Å; L97-M245 HydrophobicContact CG-SD 4.47Å; L98-M245 HydrophobicContact CD2-CE 3.91Å; I101-M245 HydrophobicContact CD1-CE 3.35Å; I101-M245 HydrophobicContact CD1-SD 3.9Å; L241-M245 HydrophobicContact CD1-CG 4.21Å; L241-M245 HydrophobicContact CD1-SD 4.33Å; L241-M245 HydrophobicContact CG-CG 4.41Å; L241-M245 HydrophobicContact CG-SD 4Å; L241-M245 VanDerWaalsContact O-CG 3.29Å; L241-M245 WeakPolarHBondContact O-CG 3.48Å; L241-M245 PolarHBondContact O-N 3.33Å; L242-M245 PolarHBondContact O-N 3.31Å; M245-H248 PolarHBondContact O-N 3.43Å; M245-I249 PolarHBondContact O-N 2.86Å; M245-I297 HydrophobicContact CB-CD1 3.76Å; M245-I297 HydrophobicContact CE-CD1 4Å; M245-F300 HydrophobicContact CB-CD2 4.38Å; M245-F300 HydrophobicContact CB-CE2 3.84Å; M245-F300 HydrophobicContact CB-CZ 4.17Å; M245-F300 HydrophobicContact CE-CB 3.64Å; M245-F300 HydrophobicContact CE-CD1 4.38Å; M245-F300 HydrophobicContact CE-CD2 3.28Å; M245-F300 HydrophobicContact CE-CE2 3.95Å; M245-F300 HydrophobicContact CE-CG 3.53Å; M245-F300 HydrophobicContact CG-CD2 4.36Å; M245-F300 HydrophobicContact CG-CE2 4.13Å; M245-F300 HydrophobicContact CG-CZ 4.27Å; M245-F305 HydrophobicContact CE-CZ 4.05Å; M245-F305 HydrophobicContact CG-CE1 3.88Å; M245-F305 HydrophobicContact CG-CZ 3.8Å; M245-F305 HydrophobicContact SD-CE1 4.47Å; M245-F305 HydrophobicContact SD-CZ 3.99Å
246	I	98.9	Very high	98.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-68.4	-43	178.4	-64	171.9	0	0	0	110.3	L170 I173 I174 I177 F210 L217 L242 H248 I249 T250 I297	L170-I246 HydrophobicContact CD1-CD1 4.37Å; I173-I246 HydrophobicContact CD1-CD1 3.97Å; I174-I246 HydrophobicContact CG1-CG1 4.41Å; I174-I246 HydrophobicContact CG1-CG2 4.35Å; I177-I246 HydrophobicContact CD1-CG2 3.6Å; F210-I246 HydrophobicContact CE1-CD1 3.78Å; F210-I246 HydrophobicContact CE2-CD1 4.43Å; F210-I246 HydrophobicContact CZ-CD1 3.7Å; L217-I246 HydrophobicContact CD2-CB 3.7Å; L217-I246 HydrophobicContact CD2-CG2 3.49Å; L217-I246 VanDerWaalsContact CD2-CG2 3.49Å; L242-I246 HydrophobicContact CD1-CD1 3.87Å; L242-I246 HydrophobicContact CD1-CG1 4.2Å; L242-I246 HydrophobicContact CG-CD1 3.96Å; L242-I246 WeakPolarHBondContact O-CG1 3.29Å; L242-I246 PolarHBondContact O-N 3.32Å; I246-H248 VanDerWaalsContact C-N 3.31Å; I246-H248 PolarHBondContact O-N 3.49Å; I246-I249 WeakPolarHBondContact O-CG1 3.46Å; I246-I249 PolarHBondContact O-N 3.07Å; I246-T250 HydrophobicContact CG2-CG2 4.18Å; I246-T250 WeakPolarHBondContact O-CB 3.26Å; I246-T250 VanDerWaalsContact O-CG2 3.25Å; I246-T250 WeakPolarHBondContact O-CG2 3.44Å; I246-T250 PolarHBondContact O-N 3.37Å; I246-T250 VanDerWaalsContact O-N 3.11Å; I246-T250 PolarHBondContact O-OG1 2.94Å; I246-I297 HydrophobicContact CG1-CD1 4.26Å
247	A	98.8	Very high	98.7	Very high	1 Å²	1	20 Å²	20	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-57.2	-46.1	175.7	0	0	0	0	0	111.1	L217 T243 Y244 I249 T250 G251 L252	L217-A247 HydrophobicContact CB-CB 4.12Å; L217-A247 HydrophobicContact CD2-CB 4.11Å; T243-A247 WeakPolarHBondContact O-CB 3.5Å; T243-A247 PolarHBondContact O-N 2.9Å; Y244-A247 PolarHBondContact O-N 3.39Å; A247-I249 PolarHBondContact O-N 3.42Å; A247-T250 CarbonylContact O-C 3.5Å; A247-T250 PolarHBondContact O-N 3.24Å; A247-T250 PolarHBondContact O-OG1 2.86Å; A247-G251 PolarHBondContact O-N 3.22Å; A247-L252 CarbonylContact C-O 3.53Å; A247-L252 HydrophobicContact CB-CB 4.3Å; A247-L252 PolarHBondContact O-N 2.9Å
248	H	98.7	Very high	98.7	Very high	40 Å²	40	20.5 Å²	20.5	19%	0.185	12%	0.119	C	C	.	.	H	α-helix	trans	-55.4	-53	177.4	178.4	91.5	0	0	0	112.9	Y244 M245 I246 T250 G251 I290 Q293 V294 F300	Y244-H248 VanDerWaalsContact O-CB 3.31Å; Y244-H248 WeakPolarHBondContact O-CB 3.28Å; Y244-H248 PolarHBondContact O-N 3.21Å; M245-H248 PolarHBondContact O-N 3.43Å; I246-H248 VanDerWaalsContact C-N 3.31Å; I246-H248 PolarHBondContact O-N 3.49Å; H248-T250 PolarHBondContact O-N 3.07Å; H248-G251 PolarHBondContact O-N 3.33Å; H248-I290 HydrophobicContact CB-CD1 3.71Å; H248-Q293 PolarHBondContact CE1-OE1 2.84Å; H248-Q293 PolarHBondContact NE2-NE2 3.24Å; H248-V294 PolarHBondContact CD2-O 2.75Å; H248-V294 PolarHBondContact NE2-N 2.98Å; H248-V294 VanDerWaalsContact NE2-N 3.17Å; H248-V294 PolarHBondContact NE2-O 3.09Å; H248-F300 HydrophobicContact CB-CZ 4.42Å; H248-F300 AromaticContact CD2-CZ 3.84Å
249	I	98.8	Very high	98.7	Very high	13 Å²	13	20.4 Å²	20.4	7%	0.067	12%	0.119	C	C	.	.	H	α-helix	trans	-77	-7.9	-176.3	68.1	178.2	0	0	0	113.6	I174 K178 M245 I246 A247 I297 F300	I174-I249 HydrophobicContact CD1-CD1 3.87Å; I174-I249 HydrophobicContact CG1-CD1 4.22Å; I174-I249 HydrophobicContact CG2-CD1 4.06Å; K178-I249 WeakPolarHBondContact CE-O 3.35Å; K178-I249 PolarHBondContact NZ-O 3.01Å; K178-I249 VanDerWaalsContact NZ-O 3.12Å; M245-I249 PolarHBondContact O-N 2.86Å; I246-I249 WeakPolarHBondContact O-CG1 3.46Å; I246-I249 PolarHBondContact O-N 3.07Å; A247-I249 PolarHBondContact O-N 3.42Å; I249-I297 HydrophobicContact CD1-CB 3.71Å; I249-I297 HydrophobicContact CD1-CD1 4.01Å; I249-I297 HydrophobicContact CD1-CG1 4.38Å; I249-F300 HydrophobicContact CG2-CE2 3.63Å; I249-F300 HydrophobicContact CG2-CZ 3.91Å
250	T	98.7	Very high	98.7	Very high	27 Å²	27	21.6 Å²	21.6	17%	0.166	13%	0.126	C	C	.	.	H	α-helix	trans	-108	-1.4	177.2	58.5	0	0	0	0	112.8	I174 I177 K178 I246 A247 H248 L252	I174-T250 HydrophobicContact CG2-CG2 4.37Å; I177-T250 HydrophobicContact CB-CG2 4.31Å; I177-T250 HydrophobicContact CG2-CG2 3.71Å; K178-T250 HydrophobicContact CD-CG2 4.48Å; K178-T250 HydrophobicContact CG-CG2 3.87Å; I246-T250 HydrophobicContact CG2-CG2 4.18Å; I246-T250 WeakPolarHBondContact O-CB 3.26Å; I246-T250 VanDerWaalsContact O-CG2 3.25Å; I246-T250 WeakPolarHBondContact O-CG2 3.44Å; I246-T250 PolarHBondContact O-N 3.37Å; I246-T250 VanDerWaalsContact O-N 3.11Å; I246-T250 PolarHBondContact O-OG1 2.94Å; A247-T250 CarbonylContact O-C 3.5Å; A247-T250 PolarHBondContact O-N 3.24Å; A247-T250 PolarHBondContact O-OG1 2.86Å; H248-T250 PolarHBondContact O-N 3.07Å; T250-L252 VanDerWaalsContact C-N 3.27Å; T250-L252 PolarHBondContact O-N 3.12Å
251	G	98.2	Very high	98.6	Very high	73 Å²	73	21.8 Å²	21.8	75%	0.753	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	18.5	-179.7	0	0	0	0	0	114.1	A247 H248	A247-G251 PolarHBondContact O-N 3.22Å; H248-G251 PolarHBondContact O-N 3.33Å
252	L	98.7	Very high	98.6	Very high	38 Å²	38	21.9 Å²	21.9	20%	0.199	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-97.4	165.8	177.1	-61.6	174.9	0	0	0	110.9	I177 V212 L217 A247 T250	I177-L252 HydrophobicContact CG2-CD1 3.63Å; V212-L252 HydrophobicContact CG1-CD1 3.83Å; V212-L252 HydrophobicContact CG1-CD2 4.1Å; V212-L252 HydrophobicContact CG2-CD1 3.86Å; L217-L252 HydrophobicContact CB-CB 4.29Å; L217-L252 HydrophobicContact CB-CD1 4.02Å; L217-L252 HydrophobicContact CD1-CD1 4.41Å; A247-L252 CarbonylContact C-O 3.53Å; A247-L252 HydrophobicContact CB-CB 4.3Å; A247-L252 PolarHBondContact O-N 2.9Å; T250-L252 VanDerWaalsContact C-N 3.27Å; T250-L252 PolarHBondContact O-N 3.12Å
253	K	98.6	Very high	98.5	Very high	148 Å²	148	23.4 Å²	23.4	64%	0.643	14%	0.137	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95	150.5	169.4	-65.4	178.3	-177.4	178.4	0	110.7	G215 E216 L217	G215-K253 PolarHBondContact O-N 3.28Å; E216-K253 CarbonylContact C-O 3.48Å; E216-K253 WeakPolarHBondContact CA-O 3.46Å; E216-K253 HydrophobicContact CG-CB 4.23Å; L217-K253 PolarHBondContact N-O 3.4Å
254	P	98.6	Very high	98.5	Very high	26 Å²	26	23.4 Å²	23.4	17%	0.169	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	131.1	172.1	30.7	-34.9	0	0	0	110.7	L76 Y244	L76-P254 HydrophobicContact CB-CB 3.83Å; L76-P254 HydrophobicContact CD1-CB 4.27Å; Y244-P254 HydrophobicContact CD1-CB 4.4Å; Y244-P254 HydrophobicContact CD1-CG 4.04Å; Y244-P254 HydrophobicContact CD2-CB 3.99Å; Y244-P254 HydrophobicContact CD2-CG 4.38Å; Y244-P254 HydrophobicContact CE1-CB 4.39Å; Y244-P254 HydrophobicContact CE1-CG 3.74Å; Y244-P254 HydrophobicContact CE2-CB 3.98Å; Y244-P254 HydrophobicContact CE2-CG 4.11Å; Y244-P254 HydrophobicContact CG-CB 4.23Å; Y244-P254 HydrophobicContact CG-CG 4.37Å
255	G	98.5	Very high	98.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-109.5	-179.9	0	0	0	0	0	112.4	L76 L217	L76-G255 WeakPolarHBondContact CA-O 3.46Å; L76-G255 WeakPolarHBondContact CB-O 3.43Å; L76-G255 PolarHBondContact N-O 3.45Å; L217-G255 PolarHBondContact O-N 3.25Å
256	D	98.3	Very high	98.4	Very high	24 Å²	24	22.7 Å²	22.7	13%	0.128	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146	178.5	-66	-22.9	0	0	0	112.3	R73 Y74 R77 S218 C219	R73-D256 HydrophobicContact CG-CB 4.42Å; R73-D256 IonicContact CZ-OD2 3.79Å; R73-D256 IonicContact NH1-OD2 3.07Å; R73-D256 PolarHBondContact NH1-OD2 2.79Å; Y74-D256 WeakPolarHBondContact O-CA 3.25Å; R77-D256 IonicContact CZ-OD1 2.75Å; R77-D256 IonicContact NH1-OD1 2.82Å; R77-D256 PolarHBondContact NH1-OD1 3.49Å; R77-D256 IonicContact NH2-OD1 3.3Å; S218-D256 CarbonylContact C-O 3.09Å; S218-D256 WeakPolarHBondContact CA-O 3.48Å; S218-D256 VanDerWaalsContact CB-O 3.25Å; S218-D256 WeakPolarHBondContact CB-O 3.45Å; S218-D256 PolarHBondContact OG-N 2.9Å; C219-D256 PolarHBondContact N-O 2.72Å
257	F	98.8	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.8	161.3	171.5	-118.7	0	0	0	110	R73 Y74 L76 C219 L221 I236 Y239 H259	R73-F257 CarbonylContact C-O 3.58Å; R73-F257 WeakPolarHBondContact CA-O 3.4Å; Y74-F257 AromaticContact CD2-CD1 3.5Å; Y74-F257 HydrophobicContact CD2-CD1 3.5Å; Y74-F257 VanDerWaalsContact CD2-CD1 3.5Å; Y74-F257 AromaticContact CD2-CE1 3.97Å; Y74-F257 HydrophobicContact CD2-CE1 3.97Å; Y74-F257 HydrophobicContact CE2-CD1 4.17Å; Y74-F257 HydrophobicContact CE2-CE1 4.18Å; Y74-F257 HydrophobicContact CG-CD1 4.22Å; Y74-F257 PolarHBondContact N-O 2.95Å; Y74-F257 PolarHBondContact O-N 3.33Å; L76-F257 HydrophobicContact CD1-CB 4.07Å; L76-F257 HydrophobicContact CD2-CB 4Å; L76-F257 HydrophobicContact CG-CB 4.18Å; C219-F257 HydrophobicContact CB-CD2 4.33Å; C219-F257 CarbonylContact O-C 3.59Å; C219-F257 WeakPolarHBondContact O-CA 3.45Å; L221-F257 HydrophobicContact CB-CE2 3.72Å; L221-F257 HydrophobicContact CB-CZ 4.13Å; L221-F257 HydrophobicContact CD2-CE2 4.36Å; L221-F257 HydrophobicContact CD2-CZ 4.12Å; I236-F257 HydrophobicContact CB-CE1 4.23Å; I236-F257 HydrophobicContact CG1-CE1 4.26Å; I236-F257 HydrophobicContact CG2-CD1 4.28Å; I236-F257 HydrophobicContact CG2-CE1 4.17Å; Y239-F257 VanDerWaalsContact CB-CE2 3.47Å; Y239-F257 HydrophobicContact CG-CE2 4.34Å; F257-H259 HydrophobicContact CE1-CB 3.72Å; F257-H259 AromaticContact CE1-CG 3.99Å; F257-H259 HydrophobicContact CZ-CB 3.73Å; F257-H259 AromaticContact CZ-CG 3.77Å
258	V	98.6	Very high	98.3	Very high	11 Å²	11	26.2 Å²	26.2	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.1	179.6	-177.1	0	0	0	0	109.5	Q71 R73 C219 Q220 L221	Q71-V258 VanDerWaalsContact CD-CG1 3.44Å; Q71-V258 HydrophobicContact CG-CG1 3.65Å; R73-V258 HydrophobicContact CG-CG2 4.19Å; C219-V258 PolarHBondContact O-N 3.25Å; Q220-V258 CarbonylContact C-O 3.47Å; Q220-V258 VanDerWaalsContact CA-O 3.29Å; Q220-V258 WeakPolarHBondContact CA-O 3.41Å; Q220-V258 HydrophobicContact CB-CB 4.2Å; Q220-V258 HydrophobicContact CG-CB 4.1Å; Q220-V258 HydrophobicContact CG-CG1 4.16Å; L221-V258 PolarHBondContact N-O 2.68Å
259	H	98.4	Very high	98.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	106.1	-176.9	-159.3	176.9	0	0	0	110.4	Q71 V72 Y74 Q223 F257 L261	Q71-H259 VanDerWaalsContact CA-O 3.3Å; Q71-H259 WeakPolarHBondContact CA-O 3.29Å; V72-H259 PolarHBondContact N-O 2.88Å; V72-H259 PolarHBondContact O-N 3.28Å; Y74-H259 HydrophobicContact CE2-CB 4.28Å; Q223-H259 PolarHBondContact OE1-CE1 3.02Å; Q223-H259 VanDerWaalsContact OE1-CE1 3.24Å; Q223-H259 PolarHBondContact OE1-NE2 2.99Å; F257-H259 HydrophobicContact CE1-CB 3.72Å; F257-H259 AromaticContact CE1-CG 3.99Å; F257-H259 HydrophobicContact CZ-CB 3.73Å; F257-H259 AromaticContact CZ-CG 3.77Å; H259-L261 WeakPolarHBondContact CD2-CD2 3.31Å; H259-L261 VanDerWaalsContact NE2-CD2 3.26Å; H259-L261 WeakPolarHBondContact NE2-CD2 3.3Å
260	T	98.4	Very high	98.1	Very high	28 Å²	28	26.7 Å²	26.7	17%	0.172	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.4	176.3	-50.3	0	0	0	0	109.3	Q71 Q220 L221 Y222 Q223	Q71-T260 PolarHBondContact NE2-OG1 2.88Å; Q220-T260 PolarHBondContact NE2-OG1 2.79Å; L221-T260 WeakPolarHBondContact O-CA 3.46Å; L221-T260 VanDerWaalsContact O-CB 3.3Å; L221-T260 WeakPolarHBondContact O-CB 3.39Å; L221-T260 PolarHBondContact O-N 3.23Å; Y222-T260 WeakPolarHBondContact CA-O 3.21Å; Y222-T260 HydrophobicContact CD2-CG2 3.96Å; Q223-T260 PolarHBondContact N-O 3.38Å
261	L	98.1	Very high	98.1	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.6	-172.9	-49.7	175.4	0	0	0	109.8	L45 G69 A70 Q223 A226 M228 H259 A264	L45-L261 HydrophobicContact CD2-CD1 3.52Å; G69-L261 CarbonylContact C-O 3.52Å; G69-L261 VanDerWaalsContact CA-O 3.24Å; G69-L261 WeakPolarHBondContact CA-O 3.35Å; A70-L261 HydrophobicContact CB-CB 4.36Å; A70-L261 HydrophobicContact CB-CD1 4.43Å; A70-L261 PolarHBondContact N-O 3.34Å; A70-L261 PolarHBondContact O-N 2.77Å; Q223-L261 HydrophobicContact CB-CD2 4.2Å; Q223-L261 CarbonylContact O-C 3.55Å; Q223-L261 WeakPolarHBondContact O-CA 3.34Å; A226-L261 HydrophobicContact CB-CB 4.19Å; A226-L261 HydrophobicContact CB-CD1 4.37Å; A226-L261 HydrophobicContact CB-CD2 3.73Å; A226-L261 HydrophobicContact CB-CG 4.31Å; M228-L261 HydrophobicContact SD-CD1 4.13Å; H259-L261 WeakPolarHBondContact CD2-CD2 3.31Å; H259-L261 VanDerWaalsContact NE2-CD2 3.26Å; H259-L261 WeakPolarHBondContact NE2-CD2 3.3Å; L261-A264 HydrophobicContact CB-CB 4.03Å; L261-A264 HydrophobicContact CD1-CB 4.13Å
262	G	97.8	Very high	98.1	Very high	2 Å²	2	29 Å²	29	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-102.7	170.8	0	0	0	0	0	110.6	F68 G69 Q223 A264	F68-G262 WeakPolarHBondContact CA-O 3.17Å; G69-G262 PolarHBondContact N-O 2.69Å; Q223-G262 PolarHBondContact O-N 3.11Å; G262-A264 PolarHBondContact O-N 2.89Å; G262-A264 VanDerWaalsContact O-N 3.11Å
263	D	97.6	Very high	98.1	Very high	33 Å²	33	28.4 Å²	28.4	18%	0.176	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	93	170.8	-168.2	-40.1	0	0	0	109.7	K56 S66 R224 A226 H265	K56-D263 IonicContact NZ-OD2 3.55Å; K56-D263 PolarHBondContact NZ-OD2 2.62Å; S66-D263 WeakPolarHBondContact CB-OD1 3.16Å; S66-D263 PolarHBondContact OG-OD1 2.76Å; S66-D263 PolarHBondContact OG-OD2 2.84Å; R224-D263 PolarHBondContact O-N 3.3Å; A226-D263 PolarHBondContact N-O 3.35Å; D263-H265 PolarHBondContact O-ND1 3.19Å; D263-H265 IonicContact OD1-CG 3.57Å; D263-H265 IonicContact OD1-ND1 2.68Å; D263-H265 PolarHBondContact OD1-ND1 2.83Å
264	A	97.9	Very high	98	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.4	173.7	0	0	0	0	0	109.4	I49 S66 L67 L261 G262	I49-A264 HydrophobicContact CD1-CB 3.84Å; S66-A264 WeakPolarHBondContact CA-O 3.25Å; L67-A264 PolarHBondContact N-O 2.76Å; L67-A264 PolarHBondContact O-N 2.74Å; L261-A264 HydrophobicContact CB-CB 4.03Å; L261-A264 HydrophobicContact CD1-CB 4.13Å; G262-A264 PolarHBondContact O-N 2.89Å; G262-A264 VanDerWaalsContact O-N 3.11Å
265	H	98.1	Very high	98	Very high	8 Å²	8	24.6 Å²	24.6	4%	0.037	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	155.1	-168.9	57.6	-89.4	0	0	0	114.3	V64 L65 S225 A226 M228 D263 Y267	V64-H265 HydrophobicContact CB-CB 4.05Å; V64-H265 HydrophobicContact CG1-CB 4.35Å; V64-H265 HydrophobicContact CG2-CB 4.3Å; L65-H265 CarbonylContact O-C 3.59Å; L65-H265 WeakPolarHBondContact O-CA 3.3Å; L65-H265 WeakPolarHBondContact O-CB 3.35Å; S225-H265 PolarHBondContact OG-CE1 3.27Å; A226-H265 VanDerWaalsContact C-CE1 3.45Å; A226-H265 PolarHBondContact N-CE1 2.91Å; A226-H265 PolarHBondContact O-N 2.93Å; A226-H265 PolarHBondContact O-ND1 3.08Å; M228-H265 WeakPolarHBondContact CB-O 3.17Å; M228-H265 WeakPolarHBondContact CG-O 3.46Å; M228-H265 PolarHBondContact N-O 3.29Å; D263-H265 PolarHBondContact O-ND1 3.19Å; D263-H265 IonicContact OD1-CG 3.57Å; D263-H265 IonicContact OD1-ND1 2.68Å; D263-H265 PolarHBondContact OD1-ND1 2.83Å; H265-Y267 AromaticContact CD2-CE2 3.97Å; H265-Y267 AromaticContact NE2-CE2 3.83Å
266	V	98.3	Very high	98	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.8	170.5	170.5	0	0	0	0	107.5	I49 M50 V64 L65 M228 H270 I271 L274	I49-V266 HydrophobicContact CB-CG2 4.27Å; I49-V266 HydrophobicContact CG2-CB 4.1Å; I49-V266 HydrophobicContact CG2-CG2 3.83Å; M50-V266 HydrophobicContact CG-CB 4.35Å; M50-V266 HydrophobicContact CG-CG1 4.07Å; M50-V266 HydrophobicContact CG-CG2 4.16Å; M50-V266 HydrophobicContact SD-CG1 4.39Å; V64-V266 CarbonylContact C-O 3.44Å; V64-V266 WeakPolarHBondContact CA-O 3.24Å; L65-V266 PolarHBondContact N-O 2.87Å; L65-V266 PolarHBondContact O-N 3Å; M228-V266 HydrophobicContact CB-CG2 3.94Å; M228-V266 HydrophobicContact CG-CG2 4.35Å; V266-H270 HydrophobicContact CG1-CB 4.4Å; V266-I271 HydrophobicContact CG1-CG1 3.91Å; V266-L274 HydrophobicContact CB-CD1 4.23Å; V266-L274 HydrophobicContact CG1-CD1 3.53Å; V266-L274 HydrophobicContact CG2-CD1 3.69Å
267	Y	97.9	Very high	98	Very high	27 Å²	27	26.7 Å²	26.7	11%	0.106	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	143.5	170.3	-76	-80.1	0	0	0	110.8	T62 V64 D227 H265 N269 H270 A321	T62-Y267 HydrophobicContact CG2-CD1 3.83Å; T62-Y267 HydrophobicContact CG2-CG 4.43Å; V64-Y267 HydrophobicContact CG1-CD1 3.56Å; V64-Y267 HydrophobicContact CG1-CE1 3.72Å; V64-Y267 HydrophobicContact CG1-CG 4.11Å; D227-Y267 HydrophobicContact CB-CD2 4.5Å; D227-Y267 HydrophobicContact CB-CE2 4.08Å; H265-Y267 AromaticContact CD2-CE2 3.97Å; H265-Y267 AromaticContact NE2-CE2 3.83Å; Y267-N269 WeakPolarHBondContact CB-OD1 3.45Å; Y267-N269 PolarHBondContact O-N 3.3Å; Y267-H270 AromaticContact CD2-CE1 3.92Å; Y267-H270 WeakPolarHBondContact O-CB 3.45Å; Y267-H270 PolarHBondContact O-N 3.49Å; Y267-A321 HydrophobicContact CD1-CB 3.79Å; Y267-A321 HydrophobicContact CD2-CB 4.45Å; Y267-A321 HydrophobicContact CE1-CB 3.42Å; Y267-A321 VanDerWaalsContact CE1-CB 3.42Å; Y267-A321 HydrophobicContact CE2-CB 4.14Å; Y267-A321 HydrophobicContact CG-CB 4.29Å
268	L	96.9	Very high	98	Very high	48 Å²	48	29 Å²	29	25%	0.251	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-59.5	-33.6	-176.8	-64.5	-179.7	0	0	0	112.5	G63 L65 H270 I271	G63-L268 WeakPolarHBondContact O-CG 3.35Å; G63-L268 PolarHBondContact O-N 3.29Å; G63-L268 VanDerWaalsContact O-N 3.09Å; L65-L268 HydrophobicContact CD2-CD2 4.29Å; L65-L268 HydrophobicContact CG-CD2 3.98Å; L268-H270 PolarHBondContact O-N 2.81Å; L268-I271 HydrophobicContact CD2-CD1 3.87Å
269	N	96.3	Very high	98	Very high	64 Å²	64	36.2 Å²	36.2	34%	0.342	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-75.9	-5.1	175.8	68.2	-18.7	0	0	0	114	T62 Y267	T62-N269 HydrophobicContact CG2-CB 4.26Å; Y267-N269 WeakPolarHBondContact CB-OD1 3.45Å; Y267-N269 PolarHBondContact O-N 3.3Å
270	H	98	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-102.4	-6.7	176.5	-63.9	174.8	0	0	0	113.5	D227 V266 Y267 L268 E272 P273 L274 M318 Q319	D227-H270 IonicContact OD1-ND1 2.95Å; D227-H270 IonicContact OD2-CE1 2.65Å; V266-H270 HydrophobicContact CG1-CB 4.4Å; Y267-H270 AromaticContact CD2-CE1 3.92Å; Y267-H270 WeakPolarHBondContact O-CB 3.45Å; Y267-H270 PolarHBondContact O-N 3.49Å; L268-H270 PolarHBondContact O-N 2.81Å; H270-E272 PolarHBondContact O-N 3.47Å; H270-P273 WeakPolarHBondContact O-CD 3.26Å; H270-L274 HydrophobicContact CB-CD1 4.22Å; H270-L274 WeakPolarHBondContact O-CB 3.14Å; H270-L274 WeakPolarHBondContact O-CG 3.36Å; H270-L274 PolarHBondContact O-N 3.16Å; H270-M318 HydrophobicContact CB-SD 4.27Å; H270-Q319 PolarHBondContact NE2-O 3.39Å
271	I	97.9	Very high	98	Very high	31 Å²	31	44.4 Å²	44.4	16%	0.159	22%	0.217	C	C	.	.	H	α-helix	trans	-56.6	-54.3	-178.1	-68	174	0	0	0	111.4	M50 L65 V266 L268 L274 K275	M50-I271 HydrophobicContact SD-CB 4.34Å; M50-I271 HydrophobicContact SD-CG1 4.41Å; M50-I271 HydrophobicContact SD-CG2 4.02Å; L65-I271 HydrophobicContact CD1-CD1 3.84Å; L65-I271 HydrophobicContact CG-CD1 4.47Å; V266-I271 HydrophobicContact CG1-CG1 3.91Å; L268-I271 HydrophobicContact CD2-CD1 3.87Å; I271-L274 PolarHBondContact O-N 3.25Å; I271-K275 HydrophobicContact CG2-CD 4.3Å; I271-K275 WeakPolarHBondContact O-CG 3.26Å; I271-K275 PolarHBondContact O-N 2.91Å
272	E	98.1	Very high	98	Very high	116 Å²	116	47.1 Å²	47.1	54%	0.542	23%	0.231	S	C	.	.	H	α-helix	trans	-64.9	-45.4	-179	-63.7	-55	130.9	0	0	112.6	H270 L274 K275 V276	H270-E272 PolarHBondContact O-N 3.47Å; E272-L274 VanDerWaalsContact C-N 3.3Å; E272-L274 PolarHBondContact O-N 3Å; E272-K275 PolarHBondContact O-N 2.67Å; E272-K275 IonicContact OE1-NZ 3.16Å; E272-K275 PolarHBondContact OE1-NZ 2.86Å; E272-V276 WeakPolarHBondContact O-CG2 3.46Å; E272-V276 PolarHBondContact O-N 3.15Å; E272-V276 VanDerWaalsContact O-N 3.11Å
273	P	98.3	Very high	98	Very high	27 Å²	27	50.7 Å²	50.7	18%	0.175	24%	0.244	C	C	.	.	H	α-helix	trans	-52.3	-42	168.8	-32	37.3	0	0	0	114.9	H270 V276 Q277 I316 M318	H270-P273 WeakPolarHBondContact O-CD 3.26Å; P273-V276 PolarHBondContact O-N 3.18Å; P273-Q277 PolarHBondContact O-N 3.06Å; P273-Q277 VanDerWaalsContact O-N 3.09Å; P273-I316 HydrophobicContact CB-CG2 3.68Å; P273-M318 HydrophobicContact CB-CE 3.64Å; P273-M318 HydrophobicContact CB-CG 3.63Å; P273-M318 HydrophobicContact CB-SD 4.19Å; P273-M318 HydrophobicContact CG-CG 4.15Å
274	L	98.3	Very high	98	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-72.7	-36.2	179.3	-77.1	168.6	0	0	0	112.4	M50 V266 H270 I271 E272 V276 Q277 L278 M318	M50-L274 HydrophobicContact CE-CB 4.05Å; M50-L274 HydrophobicContact SD-CB 3.96Å; M50-L274 HydrophobicContact SD-CD1 4.49Å; V266-L274 HydrophobicContact CB-CD1 4.23Å; V266-L274 HydrophobicContact CG1-CD1 3.53Å; V266-L274 HydrophobicContact CG2-CD1 3.69Å; H270-L274 HydrophobicContact CB-CD1 4.22Å; H270-L274 WeakPolarHBondContact O-CB 3.14Å; H270-L274 WeakPolarHBondContact O-CG 3.36Å; H270-L274 PolarHBondContact O-N 3.16Å; I271-L274 PolarHBondContact O-N 3.25Å; E272-L274 VanDerWaalsContact C-N 3.3Å; E272-L274 PolarHBondContact O-N 3Å; L274-V276 VanDerWaalsContact C-N 3.28Å; L274-V276 PolarHBondContact O-N 3.3Å; L274-Q277 CarbonylContact O-C 3.44Å; L274-Q277 WeakPolarHBondContact O-CA 3.42Å; L274-Q277 WeakPolarHBondContact O-CB 3.26Å; L274-Q277 PolarHBondContact O-N 3.34Å; L274-L278 WeakPolarHBondContact O-CG 3.45Å; L274-L278 PolarHBondContact O-N 3.43Å; L274-M318 HydrophobicContact CD2-CE 3.91Å; L274-M318 HydrophobicContact CG-CE 3.98Å
275	K	98.4	Very high	98	Very high	93 Å²	93	55.9 Å²	55.9	40%	0.404	28%	0.277	S	S	.	.	H	α-helix	trans	-58.7	-40.5	171	-74.5	176.6	-177.9	168.6	0	111.9	M50 I271 E272 Q277 L278 Q279	M50-K275 HydrophobicContact CE-CG 4.5Å; I271-K275 HydrophobicContact CG2-CD 4.3Å; I271-K275 WeakPolarHBondContact O-CG 3.26Å; I271-K275 PolarHBondContact O-N 2.91Å; E272-K275 PolarHBondContact O-N 2.67Å; E272-K275 IonicContact OE1-NZ 3.16Å; E272-K275 PolarHBondContact OE1-NZ 2.86Å; K275-Q277 VanDerWaalsContact C-N 3.31Å; K275-Q277 PolarHBondContact O-N 3.16Å; K275-L278 PolarHBondContact O-N 3.01Å; K275-Q279 WeakPolarHBondContact O-CG 3.28Å; K275-Q279 PolarHBondContact O-N 3.37Å
276	V	98.3	Very high	98.1	Very high	67 Å²	67	55.6 Å²	55.6	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-63.6	-39	172.8	174.7	0	0	0	0	111.2	E272 P273 L274 Q279 I316	E272-V276 WeakPolarHBondContact O-CG2 3.46Å; E272-V276 PolarHBondContact O-N 3.15Å; E272-V276 VanDerWaalsContact O-N 3.11Å; P273-V276 PolarHBondContact O-N 3.18Å; L274-V276 VanDerWaalsContact C-N 3.28Å; L274-V276 PolarHBondContact O-N 3.3Å; V276-Q279 PolarHBondContact O-N 3.27Å; V276-I316 HydrophobicContact CG1-CD1 4.38Å
277	Q	98.6	Very high	98.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-43.1	176	-165.3	176.3	-12.4	0	0	111.9	L43 T85 P273 L274 K275 Q279 R280 I316	L43-Q277 HydrophobicContact CD2-CG 4.12Å; T85-Q277 PolarHBondContact OG1-NE2 3.18Å; P273-Q277 PolarHBondContact O-N 3.06Å; P273-Q277 VanDerWaalsContact O-N 3.09Å; L274-Q277 CarbonylContact O-C 3.44Å; L274-Q277 WeakPolarHBondContact O-CA 3.42Å; L274-Q277 WeakPolarHBondContact O-CB 3.26Å; L274-Q277 PolarHBondContact O-N 3.34Å; K275-Q277 VanDerWaalsContact C-N 3.31Å; K275-Q277 PolarHBondContact O-N 3.16Å; Q277-Q279 PolarHBondContact O-N 3.28Å; Q277-R280 WeakPolarHBondContact O-CB 3.4Å; Q277-R280 PolarHBondContact O-N 2.84Å; Q277-R280 VanDerWaalsContact O-N 3.1Å; Q277-I316 HydrophobicContact CB-CD1 3.55Å; Q277-I316 HydrophobicContact CG-CD1 3.98Å
278	L	98.4	Very high	98.1	Very high	48 Å²	48	58.1 Å²	58.1	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-24.8	-179.5	-72.6	172.9	0	0	0	113.7	L43 E47 M50 L274 K275 R280	L43-L278 HydrophobicContact CB-CD2 3.88Å; L43-L278 HydrophobicContact CD2-CD2 4.09Å; L43-L278 WeakPolarHBondContact O-CD2 3.22Å; E47-L278 HydrophobicContact CB-CD1 3.91Å; E47-L278 HydrophobicContact CB-CD2 4.08Å; E47-L278 HydrophobicContact CG-CD1 4.32Å; M50-L278 HydrophobicContact CE-CD1 3.3Å; M50-L278 HydrophobicContact CE-CG 4.42Å; L274-L278 WeakPolarHBondContact O-CG 3.45Å; L274-L278 PolarHBondContact O-N 3.43Å; K275-L278 PolarHBondContact O-N 3.01Å; L278-R280 VanDerWaalsContact C-N 3.26Å; L278-R280 PolarHBondContact O-N 2.94Å
279	Q	98.1	Very high	98.2	Very high	163 Å²	163	61.3 Å²	61.3	76%	0.762	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.5	176.8	-69.7	174.6	-9.5	0	0	113.5	K275 V276 Q277	K275-Q279 WeakPolarHBondContact O-CG 3.28Å; K275-Q279 PolarHBondContact O-N 3.37Å; V276-Q279 PolarHBondContact O-N 3.27Å; Q277-Q279 PolarHBondContact O-N 3.28Å
280	R	98.4	Very high	98.3	Very high	48 Å²	48	59.7 Å²	59.7	18%	0.181	30%	0.296	C	S	.	.	S	Bend	trans	-89.2	136.2	-176.2	-67.3	171.2	175.3	-168.4	-3.2	110.9	T85 Q277 L278 I282 P314	T85-R280 HydrophobicContact CG2-CB 4.19Å; T85-R280 WeakPolarHBondContact O-CD 3.44Å; T85-R280 PolarHBondContact O-NH1 3.39Å; Q277-R280 WeakPolarHBondContact O-CB 3.4Å; Q277-R280 PolarHBondContact O-N 2.84Å; Q277-R280 VanDerWaalsContact O-N 3.1Å; L278-R280 VanDerWaalsContact C-N 3.26Å; L278-R280 PolarHBondContact O-N 2.94Å; R280-I282 PolarHBondContact O-N 3.33Å; R280-P314 PolarHBondContact NH1-O 3.25Å; R280-P314 PolarHBondContact NH2-O 3.26Å
281	E	97.9	Very high	98.3	Very high	153 Å²	153	65.1 Å²	65.1	72%	0.715	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-62.5	131.1	171	-171	-174.6	178.7	0	0	110.7	R283 H313	E281-R283 PolarHBondContact O-N 3.47Å; E281-H313 PolarHBondContact O-CD2 3.25Å; E281-H313 PolarHBondContact O-NE2 3.17Å
282	I	98.3	Very high	98.3	Very high	61 Å²	61	68.2 Å²	68.2	31%	0.313	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-66.7	129.3	172.1	-58.7	173.4	0	0	0	108.4	E39 R40 L43 T85 R280	E39-I282 HydrophobicContact CB-CG2 4.08Å; E39-I282 HydrophobicContact CG-CD1 4.34Å; E39-I282 HydrophobicContact CG-CG1 4.23Å; E39-I282 HydrophobicContact CG-CG2 4.11Å; R40-I282 HydrophobicContact CB-CD1 3.93Å; L43-I282 HydrophobicContact CD1-CD1 3.82Å; L43-I282 HydrophobicContact CD1-CG1 3.74Å; T85-I282 HydrophobicContact CG2-CG1 4.01Å; R280-I282 PolarHBondContact O-N 3.33Å
283	R	98.3	Very high	98.2	Very high	76 Å²	76	69.4 Å²	69.4	29%	0.287	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-101.7	161.8	173.3	-64.4	173.8	177.9	176.1	0.3	109.7	T84 E281 F285 N311 P312	T84-R283 HydrophobicContact CG2-CB 4.32Å; T84-R283 WeakPolarHBondContact CG2-O 3.43Å; T84-R283 PolarHBondContact OG1-N 3.01Å; T84-R283 PolarHBondContact OG1-O 3.14Å; T84-R283 VanDerWaalsContact OG1-O 3.13Å; E281-R283 PolarHBondContact O-N 3.47Å; R283-F285 PolarHBondContact O-N 3.03Å; R283-N311 WeakPolarHBondContact CD-O 3.2Å; R283-N311 PolarHBondContact NH1-O 2.69Å; R283-N311 PolarHBondContact NH1-OD1 3.29Å; R283-N311 VanDerWaalsContact NH1-OD1 3.12Å; R283-P312 PolarHBondContact NH1-O 3.37Å
284	P	97.9	Very high	98.2	Very high	115 Å²	115	68.2 Å²	68.2	75%	0.747	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-54.2	136.6	175.1	-26	35.1	0	0	0	111.3	T84	T84-P284 WeakPolarHBondContact CG2-O 3.46Å
285	F	98.5	Very high	98.1	Very high	28 Å²	28	75.7 Å²	75.7	12%	0.123	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-57.9	149	170.6	-78.5	-41.2	0	0	0	110.8	D38 E39 Y74 Q79 P81 L82 T84 R283	D38-F285 HydrophobicContact CB-CE2 3.82Å; D38-F285 HydrophobicContact CB-CZ 4.43Å; E39-F285 HydrophobicContact CB-CE1 3.81Å; E39-F285 HydrophobicContact CB-CE2 4.48Å; E39-F285 HydrophobicContact CB-CZ 3.56Å; Y74-F285 HydrophobicContact CD1-CZ 4.46Å; Q79-F285 HydrophobicContact CB-CB 4.29Å; P81-F285 HydrophobicContact CB-CE2 4.1Å; P81-F285 HydrophobicContact CB-CZ 4.07Å; L82-F285 WeakPolarHBondContact O-CD1 3.3Å; T84-F285 HydrophobicContact CG2-CD1 4.16Å; R283-F285 PolarHBondContact O-N 3.03Å
286	P	98.6	Very high	98.1	Very high	2 Å²	2	73 Å²	73	1%	0.013	35%	0.354	C	S	.	.			trans	-69.6	175.7	170.5	32.7	-36	0	0	0	111.2	F80 L82 I307 C308 Y310	F80-P286 PolarHBondContact N-O 2.86Å; F80-P286 WeakPolarHBondContact O-CD 3.34Å; L82-P286 HydrophobicContact CB-CG 3.87Å; L82-P286 HydrophobicContact CD2-CG 4.38Å; P286-I307 HydrophobicContact CB-CG2 3.73Å; P286-I307 HydrophobicContact CG-CG2 4.02Å; P286-C308 WeakPolarHBondContact CA-O 3.44Å; P286-C308 WeakPolarHBondContact CB-O 3.44Å; P286-Y310 HydrophobicContact CB-CD2 4.17Å; P286-Y310 HydrophobicContact CB-CG 4.39Å; P286-Y310 HydrophobicContact CG-CD2 3.74Å; P286-Y310 HydrophobicContact CG-CG 4.27Å
287	T	98.4	Very high	98.1	Very high	62 Å²	62	69.9 Å²	69.9	38%	0.38	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	153.6	165.6	64.2	0	0	0	0	110.4	D78 C308	D78-T287 VanDerWaalsContact O-CG2 3.3Å; D78-T287 WeakPolarHBondContact O-CG2 3.44Å; T287-C308 PolarHBondContact N-O 3.24Å; T287-C308 PolarHBondContact O-N 2.89Å; T287-C308 WeakPolarHBondContact OG1-CB 3.44Å
288	L	98.4	Very high	98.1	Very high	17 Å²	17	72.8 Å²	72.8	9%	0.089	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127	174.2	177.5	70.7	0	0	0	109.2	F80 W90 L241 Y244 F305 I307	F80-L288 HydrophobicContact CB-CB 3.82Å; F80-L288 HydrophobicContact CD2-CB 3.81Å; F80-L288 HydrophobicContact CD2-CD2 3.83Å; F80-L288 HydrophobicContact CD2-CG 4.39Å; F80-L288 HydrophobicContact CE2-CD2 3.88Å; F80-L288 HydrophobicContact CG-CB 3.84Å; W90-L288 HydrophobicContact CH2-CD1 3.9Å; W90-L288 HydrophobicContact CZ2-CD1 4.02Å; L241-L288 HydrophobicContact CD1-CD2 3.58Å; Y244-L288 HydrophobicContact CD1-CB 4.48Å; Y244-L288 HydrophobicContact CD1-CD2 3.8Å; Y244-L288 HydrophobicContact CD1-CG 4.45Å; Y244-L288 HydrophobicContact CD2-CD2 4.32Å; Y244-L288 HydrophobicContact CE1-CB 4.17Å; Y244-L288 HydrophobicContact CE1-CD2 4.29Å; Y244-L288 HydrophobicContact CG-CD2 3.8Å; L288-F305 HydrophobicContact CD1-CB 4.23Å; L288-F305 HydrophobicContact CD1-CD1 4.22Å; L288-I307 HydrophobicContact CB-CD1 4.37Å; L288-I307 HydrophobicContact CD1-CD1 3.59Å; L288-I307 HydrophobicContact CD1-CG1 4.41Å
289	K	98.1	Very high	98.1	Very high	115 Å²	115	74.5 Å²	74.5	50%	0.5	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.2	172.9	-177.6	-179	-179.8	-173.4	0	110	E306	K289-E306 HydrophobicContact CB-CB 4.34Å; K289-E306 PolarHBondContact N-O 2.8Å; K289-E306 PolarHBondContact O-N 3.31Å
290	I	98.4	Very high	98.1	Very high	31 Å²	31	67.1 Å²	67.1	16%	0.159	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.3	166.2	-58.6	175.6	0	0	0	106.8	H248 R292 F300 D304 F305	H248-I290 HydrophobicContact CB-CD1 3.71Å; I290-R292 WeakPolarHBondContact CG2-O 3.08Å; I290-F300 HydrophobicContact CD1-CE1 4.36Å; I290-F300 HydrophobicContact CG2-CE1 3.84Å; I290-D304 CarbonylContact C-O 3.57Å; I290-D304 WeakPolarHBondContact CA-O 3.24Å; I290-F305 HydrophobicContact CD1-CE1 4.21Å; I290-F305 HydrophobicContact CG1-CD1 4.02Å; I290-F305 HydrophobicContact CG1-CE1 3.92Å
291	K	98.2	Very high	98.1	Very high	114 Å²	114	70.2 Å²	70.2	50%	0.496	34%	0.342	S	S	.	.			trans	-77.2	-28.2	-170.3	-67.8	-175.9	-66	179.5	0	113.4	E303 D304 E306	K291-E303 WeakPolarHBondContact CE-O 3.44Å; K291-E303 PolarHBondContact NZ-O 3Å; K291-D304 PolarHBondContact N-O 2.8Å; K291-E306 HydrophobicContact CD-CB 4.1Å; K291-E306 HydrophobicContact CG-CB 4.22Å
292	R	97.9	Very high	98.1	Very high	95 Å²	95	63.8 Å²	63.8	36%	0.358	32%	0.316	S	S	.	.	S	Bend	trans	-113.6	141.1	-175.9	-175.4	169.2	59.5	96	-3.7	110.5	I290 V294 D299 D304	I290-R292 WeakPolarHBondContact CG2-O 3.08Å; R292-V294 HydrophobicContact CB-CG2 4.38Å; R292-V294 HydrophobicContact CG-CG2 4.4Å; R292-V294 PolarHBondContact O-N 2.74Å; R292-D299 PolarHBondContact NH2-O 3.09Å; R292-D304 VanDerWaalsContact CB-OD1 3.3Å; R292-D304 WeakPolarHBondContact CB-OD1 3.41Å; R292-D304 IonicContact CZ-OD1 2.77Å; R292-D304 IonicContact CZ-OD2 3.44Å; R292-D304 IonicContact NE-OD1 3.77Å; R292-D304 PolarHBondContact NE-OD1 3.35Å; R292-D304 IonicContact NE-OD2 3.4Å; R292-D304 IonicContact NH2-OD1 3.18Å; R292-D304 PolarHBondContact NH2-OD1 2.93Å; R292-D304 IonicContact NH2-OD2 2.8Å; R292-D304 PolarHBondContact NH2-OD2 3.25Å
293	Q	97.1	Very high	98.1	Very high	141 Å²	141	66.7 Å²	66.7	66%	0.659	33%	0.328	S	S	*	.			trans	-72.5	108.8	167.2	-171.3	60.5	34.1	0	0	109	H248	H248-Q293 PolarHBondContact CE1-OE1 2.84Å; H248-Q293 PolarHBondContact NE2-NE2 3.24Å
294	V	97.9	Very high	98.1	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.012	32%	0.317	C	S	.	.			trans	-105.5	141.1	175.5	-169.5	0	0	0	0	109.7	H248 R292 S296 D299 F300	H248-V294 PolarHBondContact CD2-O 2.75Å; H248-V294 PolarHBondContact NE2-N 2.98Å; H248-V294 VanDerWaalsContact NE2-N 3.17Å; H248-V294 PolarHBondContact NE2-O 3.09Å; R292-V294 HydrophobicContact CB-CG2 4.38Å; R292-V294 HydrophobicContact CG-CG2 4.4Å; R292-V294 PolarHBondContact O-N 2.74Å; V294-S296 WeakPolarHBondContact CG1-O 3.39Å; V294-D299 HydrophobicContact CG1-CB 3.6Å; V294-F300 HydrophobicContact CB-CD1 4.09Å; V294-F300 HydrophobicContact CB-CE1 3.75Å; V294-F300 HydrophobicContact CB-CE2 4.31Å; V294-F300 HydrophobicContact CB-CZ 3.88Å; V294-F300 HydrophobicContact CG1-CD1 4.22Å; V294-F300 HydrophobicContact CG1-CD2 4.14Å; V294-F300 HydrophobicContact CG1-CE1 4.27Å; V294-F300 HydrophobicContact CG1-CE2 4.2Å; V294-F300 HydrophobicContact CG1-CG 4.16Å; V294-F300 HydrophobicContact CG1-CZ 4.27Å; V294-F300 HydrophobicContact CG2-CD1 3.67Å; V294-F300 HydrophobicContact CG2-CE1 3.58Å; V294-F300 HydrophobicContact CG2-CG 4.38Å; V294-F300 HydrophobicContact CG2-CZ 4.25Å
295	E	97.1	Very high	98.2	Very high	159 Å²	159	58.7 Å²	58.7	74%	0.743	28%	0.284	S	S	*	.	S	Bend	trans	-104.5	-26.5	-177.8	-62.6	-173.8	174.9	0	0	113.6
296	S	98.3	Very high	98.2	Very high	35 Å²	35	61.2 Å²	61.2	25%	0.245	30%	0.296	C	S	.	.	S	Bend	trans	-119.8	143.2	-179.2	176.5	0	0	0	0	111.1	V294 N298 D299	V294-S296 WeakPolarHBondContact CG1-O 3.39Å; S296-N298 PolarHBondContact O-N 3Å; S296-N298 VanDerWaalsContact O-N 3.17Å; S296-N298 PolarHBondContact OG-N 3.02Å; S296-D299 WeakPolarHBondContact CB-OD2 3.27Å; S296-D299 PolarHBondContact O-N 3.03Å; S296-D299 VanDerWaalsContact O-N 3.15Å
297	I	98.5	Very high	98.2	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-60.2	-27.1	176.6	-163.1	65.1	0	0	0	112.3	I101 L170 I174 M245 I246 I249 D299 F300	I101-I297 HydrophobicContact CD1-CD1 4.23Å; I101-I297 HydrophobicContact CD1-CG1 4.13Å; I101-I297 HydrophobicContact CG1-CG1 4.42Å; I101-I297 HydrophobicContact CG2-CG1 3.93Å; I101-I297 HydrophobicContact CG2-CG2 4.35Å; L170-I297 HydrophobicContact CD2-CG1 4.19Å; L170-I297 HydrophobicContact CD2-CG2 4.12Å; L170-I297 HydrophobicContact CG-CG2 4.43Å; I174-I297 HydrophobicContact CD1-CB 3.73Å; I174-I297 HydrophobicContact CD1-CG1 4.13Å; I174-I297 HydrophobicContact CD1-CG2 3.67Å; M245-I297 HydrophobicContact CB-CD1 3.76Å; M245-I297 HydrophobicContact CE-CD1 4Å; I246-I297 HydrophobicContact CG1-CD1 4.26Å; I249-I297 HydrophobicContact CD1-CB 3.71Å; I249-I297 HydrophobicContact CD1-CD1 4.01Å; I249-I297 HydrophobicContact CD1-CG1 4.38Å; I297-D299 VanDerWaalsContact C-N 3.32Å; I297-F300 HydrophobicContact CD1-CD2 4.23Å; I297-F300 HydrophobicContact CD1-CE2 4.14Å
298	N	97.9	Very high	98.1	Very high	62 Å²	62	61.6 Å²	61.6	33%	0.332	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-79.3	-15.8	-177.5	-58.2	-52.6	0	0	0	113.2	R149 S296	R149-N298 PolarHBondContact NH1-OD1 3.29Å; S296-N298 PolarHBondContact O-N 3Å; S296-N298 VanDerWaalsContact O-N 3.17Å; S296-N298 PolarHBondContact OG-N 3.02Å
299	D	98.3	Very high	98.1	Very high	84 Å²	84	64.1 Å²	64.1	45%	0.449	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-92	-4.9	-172.3	-65.5	-16	0	0	0	112.7	R292 V294 S296 I297	R292-D299 PolarHBondContact NH2-O 3.09Å; V294-D299 HydrophobicContact CG1-CB 3.6Å; S296-D299 WeakPolarHBondContact CB-OD2 3.27Å; S296-D299 PolarHBondContact O-N 3.03Å; S296-D299 VanDerWaalsContact O-N 3.15Å; I297-D299 VanDerWaalsContact C-N 3.32Å
300	F	98.6	Very high	98.1	Very high	7 Å²	7	60.6 Å²	60.6	3%	0.031	31%	0.312	C	S	.	.			trans	-66.6	137.5	177.1	-79	-72.9	0	0	0	111.8	L98 M245 H248 I249 I290 V294 I297 D304 F305	L98-F300 HydrophobicContact CD2-CB 3.84Å; M245-F300 HydrophobicContact CB-CD2 4.38Å; M245-F300 HydrophobicContact CB-CE2 3.84Å; M245-F300 HydrophobicContact CB-CZ 4.17Å; M245-F300 HydrophobicContact CE-CB 3.64Å; M245-F300 HydrophobicContact CE-CD1 4.38Å; M245-F300 HydrophobicContact CE-CD2 3.28Å; M245-F300 HydrophobicContact CE-CE2 3.95Å; M245-F300 HydrophobicContact CE-CG 3.53Å; M245-F300 HydrophobicContact CG-CD2 4.36Å; M245-F300 HydrophobicContact CG-CE2 4.13Å; M245-F300 HydrophobicContact CG-CZ 4.27Å; H248-F300 HydrophobicContact CB-CZ 4.42Å; H248-F300 AromaticContact CD2-CZ 3.84Å; I249-F300 HydrophobicContact CG2-CE2 3.63Å; I249-F300 HydrophobicContact CG2-CZ 3.91Å; I290-F300 HydrophobicContact CD1-CE1 4.36Å; I290-F300 HydrophobicContact CG2-CE1 3.84Å; V294-F300 HydrophobicContact CB-CD1 4.09Å; V294-F300 HydrophobicContact CB-CE1 3.75Å; V294-F300 HydrophobicContact CB-CE2 4.31Å; V294-F300 HydrophobicContact CB-CZ 3.88Å; V294-F300 HydrophobicContact CG1-CD1 4.22Å; V294-F300 HydrophobicContact CG1-CD2 4.14Å; V294-F300 HydrophobicContact CG1-CE1 4.27Å; V294-F300 HydrophobicContact CG1-CE2 4.2Å; V294-F300 HydrophobicContact CG1-CG 4.16Å; V294-F300 HydrophobicContact CG1-CZ 4.27Å; V294-F300 HydrophobicContact CG2-CD1 3.67Å; V294-F300 HydrophobicContact CG2-CE1 3.58Å; V294-F300 HydrophobicContact CG2-CG 4.38Å; V294-F300 HydrophobicContact CG2-CZ 4.25Å; I297-F300 HydrophobicContact CD1-CD2 4.23Å; I297-F300 HydrophobicContact CD1-CE2 4.14Å; F300-D304 HydrophobicContact CD1-CB 4.42Å; F300-F305 HydrophobicContact CB-CE2 4.19Å; F300-F305 HydrophobicContact CB-CZ 4.18Å; F300-F305 HydrophobicContact CD1-CE1 4.23Å; F300-F305 AromaticContact CD1-CE2 3.95Å; F300-F305 HydrophobicContact CD1-CE2 3.95Å; F300-F305 AromaticContact CD1-CZ 3.41Å; F300-F305 HydrophobicContact CD1-CZ 3.41Å; F300-F305 VanDerWaalsContact CD1-CZ 3.41Å; F300-F305 HydrophobicContact CE1-CE1 4.31Å; F300-F305 AromaticContact CE1-CZ 3.91Å; F300-F305 HydrophobicContact CE1-CZ 3.91Å; F300-F305 HydrophobicContact CG-CE2 4.37Å; F300-F305 AromaticContact CG-CZ 3.91Å; F300-F305 HydrophobicContact CG-CZ 3.91Å
301	Q	98.1	Very high	98.1	Very high	113 Å²	113	64.2 Å²	64.2	53%	0.528	33%	0.331	S	S	.	.			trans	-121.3	157.7	175.1	-58.6	-174.2	-9.6	0	0	109.8	E303 D304 F305	Q301-E303 WeakPolarHBondContact CB-OE2 3.41Å; Q301-E303 PolarHBondContact O-N 3.35Å; Q301-D304 PolarHBondContact N-OD2 2.83Å; Q301-D304 WeakPolarHBondContact O-CB 3.43Å; Q301-D304 PolarHBondContact O-N 3.37Å; Q301-F305 WeakPolarHBondContact O-CD2 3.12Å; Q301-F305 WeakPolarHBondContact O-CE2 3.47Å
302	A	97.9	Very high	98.2	Very high	19 Å²	19	59 Å²	59	16%	0.157	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-59.9	-33.5	-177.4	0	0	0	0	0	111.5	L94 E95 L98 D304 F305	L94-A302 HydrophobicContact CD2-CB 3.91Å; L94-A302 WeakPolarHBondContact CD2-O 3.06Å; L94-A302 HydrophobicContact CG-CB 4.32Å; E95-A302 WeakPolarHBondContact OE1-CB 3.07Å; L98-A302 HydrophobicContact CD1-CB 4.3Å; A302-D304 PolarHBondContact O-N 3.18Å; A302-F305 PolarHBondContact O-N 3.34Å
303	E	98.1	Very high	98.2	Very high	122 Å²	122	55.9 Å²	55.9	57%	0.57	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-69.9	-12.1	179.2	-59	69.8	-149.7	0	0	112.9	K291 Q301 F305	K291-E303 WeakPolarHBondContact CE-O 3.44Å; K291-E303 PolarHBondContact NZ-O 3Å; Q301-E303 WeakPolarHBondContact CB-OE2 3.41Å; Q301-E303 PolarHBondContact O-N 3.35Å; E303-F305 PolarHBondContact O-N 2.75Å
304	D	98.6	Very high	98.2	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.053	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-75.2	-16	177.3	-65.4	-43	0	0	0	112.4	I290 K291 R292 F300 Q301 A302	I290-D304 CarbonylContact C-O 3.57Å; I290-D304 WeakPolarHBondContact CA-O 3.24Å; K291-D304 PolarHBondContact N-O 2.8Å; R292-D304 VanDerWaalsContact CB-OD1 3.3Å; R292-D304 WeakPolarHBondContact CB-OD1 3.41Å; R292-D304 IonicContact CZ-OD1 2.77Å; R292-D304 IonicContact CZ-OD2 3.44Å; R292-D304 IonicContact NE-OD1 3.77Å; R292-D304 PolarHBondContact NE-OD1 3.35Å; R292-D304 IonicContact NE-OD2 3.4Å; R292-D304 IonicContact NH2-OD1 3.18Å; R292-D304 PolarHBondContact NH2-OD1 2.93Å; R292-D304 IonicContact NH2-OD2 2.8Å; R292-D304 PolarHBondContact NH2-OD2 3.25Å; F300-D304 HydrophobicContact CD1-CB 4.42Å; Q301-D304 PolarHBondContact N-OD2 2.83Å; Q301-D304 WeakPolarHBondContact O-CB 3.43Å; Q301-D304 PolarHBondContact O-N 3.37Å; A302-D304 PolarHBondContact O-N 3.18Å
305	F	98.7	Very high	98.2	Very high	12 Å²	12	57.4 Å²	57.4	5%	0.053	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.8	-172.7	-56.5	-85.7	0	0	0	112	W90 L94 L241 M245 L288 I290 F300 Q301 A302 E303	W90-F305 HydrophobicContact CZ2-CB 3.93Å; L94-F305 HydrophobicContact CD1-CD2 3.41Å; L94-F305 VanDerWaalsContact CD1-CD2 3.41Å; L94-F305 HydrophobicContact CD1-CE2 3.64Å; L94-F305 HydrophobicContact CD1-CG 4.02Å; L94-F305 HydrophobicContact CD1-CZ 4.42Å; L94-F305 HydrophobicContact CD2-CB 4.2Å; L94-F305 HydrophobicContact CD2-CD2 4.05Å; L94-F305 HydrophobicContact CD2-CG 4.45Å; L94-F305 HydrophobicContact CG-CD2 4.37Å; L241-F305 HydrophobicContact CD1-CD1 3.72Å; L241-F305 HydrophobicContact CD1-CE1 3.57Å; L241-F305 HydrophobicContact CD1-CZ 4.31Å; M245-F305 HydrophobicContact CE-CZ 4.05Å; M245-F305 HydrophobicContact CG-CE1 3.88Å; M245-F305 HydrophobicContact CG-CZ 3.8Å; M245-F305 HydrophobicContact SD-CE1 4.47Å; M245-F305 HydrophobicContact SD-CZ 3.99Å; L288-F305 HydrophobicContact CD1-CB 4.23Å; L288-F305 HydrophobicContact CD1-CD1 4.22Å; I290-F305 HydrophobicContact CD1-CE1 4.21Å; I290-F305 HydrophobicContact CG1-CD1 4.02Å; I290-F305 HydrophobicContact CG1-CE1 3.92Å; F300-F305 HydrophobicContact CB-CE2 4.19Å; F300-F305 HydrophobicContact CB-CZ 4.18Å; F300-F305 HydrophobicContact CD1-CE1 4.23Å; F300-F305 AromaticContact CD1-CE2 3.95Å; F300-F305 HydrophobicContact CD1-CE2 3.95Å; F300-F305 AromaticContact CD1-CZ 3.41Å; F300-F305 HydrophobicContact CD1-CZ 3.41Å; F300-F305 VanDerWaalsContact CD1-CZ 3.41Å; F300-F305 HydrophobicContact CE1-CE1 4.31Å; F300-F305 AromaticContact CE1-CZ 3.91Å; F300-F305 HydrophobicContact CE1-CZ 3.91Å; F300-F305 HydrophobicContact CG-CE2 4.37Å; F300-F305 AromaticContact CG-CZ 3.91Å; F300-F305 HydrophobicContact CG-CZ 3.91Å; Q301-F305 WeakPolarHBondContact O-CD2 3.12Å; Q301-F305 WeakPolarHBondContact O-CE2 3.47Å; A302-F305 PolarHBondContact O-N 3.34Å; E303-F305 PolarHBondContact O-N 2.75Å
306	E	98.3	Very high	98.2	Very high	81 Å²	81	51 Å²	51	38%	0.379	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.7	175.1	-175.2	-175.2	176.5	0	0	109.4	K289 K291	K289-E306 HydrophobicContact CB-CB 4.34Å; K289-E306 PolarHBondContact N-O 2.8Å; K289-E306 PolarHBondContact O-N 3.31Å; K291-E306 HydrophobicContact CD-CB 4.1Å; K291-E306 HydrophobicContact CG-CB 4.22Å
307	I	98.4	Very high	98.1	Very high	35 Å²	35	58.6 Å²	58.6	18%	0.179	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.3	172	-64.9	-68.6	0	0	0	108	F80 L82 W90 P286 L288 Y310	F80-I307 HydrophobicContact CD1-CD1 3.72Å; F80-I307 HydrophobicContact CE1-CD1 3.99Å; F80-I307 HydrophobicContact CG-CD1 4.4Å; L82-I307 HydrophobicContact CD2-CG2 4.39Å; W90-I307 HydrophobicContact CD2-CD1 4.14Å; W90-I307 HydrophobicContact CD2-CG1 3.7Å; W90-I307 HydrophobicContact CE3-CD1 4.08Å; W90-I307 HydrophobicContact CE3-CG1 4.15Å; W90-I307 HydrophobicContact CG-CG1 4.1Å; W90-I307 HydrophobicContact CH2-CD1 3.88Å; W90-I307 HydrophobicContact CH2-CG1 4.3Å; W90-I307 HydrophobicContact CZ2-CD1 3.95Å; W90-I307 HydrophobicContact CZ2-CG1 3.89Å; W90-I307 HydrophobicContact CZ3-CD1 3.97Å; W90-I307 HydrophobicContact CZ3-CG1 4.44Å; P286-I307 HydrophobicContact CB-CG2 3.73Å; P286-I307 HydrophobicContact CG-CG2 4.02Å; L288-I307 HydrophobicContact CB-CD1 4.37Å; L288-I307 HydrophobicContact CD1-CD1 3.59Å; L288-I307 HydrophobicContact CD1-CG1 4.41Å; I307-Y310 VanDerWaalsContact CG2-CB 3.48Å; I307-Y310 HydrophobicContact CG2-CG 4.12Å
308	C	98.4	Very high	97.9	Very high	37 Å²	37	59.8 Å²	59.8	25%	0.25	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.4	-177.6	-56.4	0	0	0	0	110.6	P286 T287 Y310	P286-C308 WeakPolarHBondContact CA-O 3.44Å; P286-C308 WeakPolarHBondContact CB-O 3.44Å; T287-C308 PolarHBondContact N-O 3.24Å; T287-C308 PolarHBondContact O-N 2.89Å; T287-C308 WeakPolarHBondContact OG1-CB 3.44Å; C308-Y310 VanDerWaalsContact C-N 3.32Å; C308-Y310 PolarHBondContact O-N 2.71Å
309	G	98.1	Very high	97.5	Very high	70 Å²	70	64 Å²	64	72%	0.722	34%	0.342	S	S	*	.	S	Bend	trans	73.2	14.8	174.4	0	0	0	0	0	115.8	N311	G309-N311 PolarHBondContact O-N 2.81Å
310	Y	98.4	Very high	96.9	Very high	42 Å²	42	64.6 Å²	64.6	17%	0.165	34%	0.343	C	S	.	.			trans	-74	98.7	-179.7	-172	-135.1	0	0	0	112.6	L82 L83 K86 V88 P286 I307 C308 P312	L82-Y310 HydrophobicContact CB-CE2 4.25Å; L82-Y310 HydrophobicContact CD2-CD1 3.86Å; L82-Y310 HydrophobicContact CD2-CD2 3.94Å; L82-Y310 HydrophobicContact CD2-CE1 3.59Å; L82-Y310 HydrophobicContact CD2-CE2 3.69Å; L82-Y310 HydrophobicContact CD2-CG 4.04Å; L82-Y310 HydrophobicContact CG-CD2 4.39Å; L82-Y310 HydrophobicContact CG-CE1 4.26Å; L82-Y310 HydrophobicContact CG-CE2 3.75Å; L83-Y310 VanDerWaalsContact O-CE2 3.32Å; L83-Y310 WeakPolarHBondContact O-CE2 3.41Å; L83-Y310 PolarHBondContact O-OH 2.9Å; K86-Y310 PolarHBondContact O-OH 2.86Å; V88-Y310 PolarHBondContact N-OH 2.89Å; P286-Y310 HydrophobicContact CB-CD2 4.17Å; P286-Y310 HydrophobicContact CB-CG 4.39Å; P286-Y310 HydrophobicContact CG-CD2 3.74Å; P286-Y310 HydrophobicContact CG-CG 4.27Å; I307-Y310 VanDerWaalsContact CG2-CB 3.48Å; I307-Y310 HydrophobicContact CG2-CG 4.12Å; C308-Y310 VanDerWaalsContact C-N 3.32Å; C308-Y310 PolarHBondContact O-N 2.71Å; Y310-P312 HydrophobicContact CD1-CG 4.02Å; Y310-P312 HydrophobicContact CD2-CB 4.39Å; Y310-P312 HydrophobicContact CD2-CG 4.28Å; Y310-P312 HydrophobicContact CE1-CB 4.23Å; Y310-P312 HydrophobicContact CE1-CG 3.57Å; Y310-P312 HydrophobicContact CE2-CB 3.69Å; Y310-P312 HydrophobicContact CE2-CG 3.86Å; Y310-P312 HydrophobicContact CG-CG 4.35Å; Y310-P312 VanDerWaalsContact CZ-CG 3.47Å; Y310-P312 VanDerWaalsContact O-CD 3.22Å; Y310-P312 WeakPolarHBondContact O-CD 3.29Å
311	N	98.2	Very high	96.1	Very high	106 Å²	106	64.8 Å²	64.8	57%	0.567	35%	0.346	S	S	*	.			trans	-114.6	66.3	178.1	-177	22.1	0	0	0	111.6	R283 G309	R283-N311 WeakPolarHBondContact CD-O 3.2Å; R283-N311 PolarHBondContact NH1-O 2.69Å; R283-N311 PolarHBondContact NH1-OD1 3.29Å; R283-N311 VanDerWaalsContact NH1-OD1 3.12Å; G309-N311 PolarHBondContact O-N 2.81Å
312	P	98.5	Very high	94.7	Very high	5 Å²	5	63.8 Å²	63.8	3%	0.032	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-77	162.9	-179.2	36.4	-39.6	0	0	0	111.8	T84 R87 R283 Y310	T84-P312 CarbonylContact O-C 3.58Å; T84-P312 VanDerWaalsContact O-CA 3.25Å; T84-P312 WeakPolarHBondContact O-CA 3.46Å; T84-P312 WeakPolarHBondContact O-CB 3.2Å; R87-P312 HydrophobicContact CB-CB 4.39Å; R87-P312 HydrophobicContact CB-CG 4Å; R87-P312 HydrophobicContact CG-CG 4.19Å; R283-P312 PolarHBondContact NH1-O 3.37Å; Y310-P312 HydrophobicContact CD1-CG 4.02Å; Y310-P312 HydrophobicContact CD2-CB 4.39Å; Y310-P312 HydrophobicContact CD2-CG 4.28Å; Y310-P312 HydrophobicContact CE1-CB 4.23Å; Y310-P312 HydrophobicContact CE1-CG 3.57Å; Y310-P312 HydrophobicContact CE2-CB 3.69Å; Y310-P312 HydrophobicContact CE2-CG 3.86Å; Y310-P312 HydrophobicContact CG-CG 4.35Å; Y310-P312 VanDerWaalsContact CZ-CG 3.47Å; Y310-P312 VanDerWaalsContact O-CD 3.22Å; Y310-P312 WeakPolarHBondContact O-CD 3.29Å
313	H	98.7	Very high	94.5	Very high	29 Å²	29	66.1 Å²	66.1	13%	0.134	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-62.8	160.2	161.3	-70.4	-92.9	0	0	0	111.5	T84 R87 E281	T84-H313 PolarHBondContact O-CD2 2.8Å; T84-H313 PolarHBondContact O-N 3.46Å; R87-H313 PolarHBondContact N-O 2.66Å; E281-H313 PolarHBondContact O-CD2 3.25Å; E281-H313 PolarHBondContact O-NE2 3.17Å
314	P	98.3	Very high	94.4	Very high	88 Å²	88	63.1 Å²	63.1	57%	0.571	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-55.7	155.8	179.9	-26.7	35.6	0	0	0	114	R280 I316	R280-P314 PolarHBondContact NH1-O 3.25Å; R280-P314 PolarHBondContact NH2-O 3.26Å; P314-I316 PolarHBondContact O-N 3.15Å
315	T	97.4	Very high	94.1	Very high	87 Å²	87	66.1 Å²	66.1	53%	0.534	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-54.9	139.8	176.2	-53.9	0	0	0	0	111.5
316	I	97.3	Very high	93.8	Very high	25 Å²	25	69.2 Å²	69.2	13%	0.128	38%	0.381	C	S	.	.			trans	-106	120.5	167.5	-60.4	175.3	0	0	0	106.6	K86 P273 V276 Q277 P314 M318	K86-I316 HydrophobicContact CB-CD1 4.27Å; K86-I316 HydrophobicContact CB-CG1 4.33Å; P273-I316 HydrophobicContact CB-CG2 3.68Å; V276-I316 HydrophobicContact CG1-CD1 4.38Å; Q277-I316 HydrophobicContact CB-CD1 3.55Å; Q277-I316 HydrophobicContact CG-CD1 3.98Å; P314-I316 PolarHBondContact O-N 3.15Å; I316-M318 HydrophobicContact CB-CE 4.46Å; I316-M318 HydrophobicContact CG2-CE 3.92Å; I316-M318 HydrophobicContact CG2-CG 4.41Å
317	K	95	Very high	93.6	Very high	195 Å²	195	68.5 Å²	68.5	85%	0.848	38%	0.381	S	S	*	.			trans	-78.2	127.6	179	-66.9	-174.1	178.9	-177.8	0	109.4
318	M	94.3	Very high	93.2	Very high	26 Å²	26	70.7 Å²	70.7	13%	0.128	39%	0.394	C	S	.	.			trans	-131.6	139	172.6	-61.1	178.3	-167.5	0	0	107.7	L230 H270 P273 L274 I316	L230-M318 HydrophobicContact CD1-CB 4.48Å; L230-M318 HydrophobicContact CD2-CB 3.87Å; L230-M318 HydrophobicContact CG-CB 4.17Å; H270-M318 HydrophobicContact CB-SD 4.27Å; P273-M318 HydrophobicContact CB-CE 3.64Å; P273-M318 HydrophobicContact CB-CG 3.63Å; P273-M318 HydrophobicContact CB-SD 4.19Å; P273-M318 HydrophobicContact CG-CG 4.15Å; L274-M318 HydrophobicContact CD2-CE 3.91Å; L274-M318 HydrophobicContact CG-CE 3.98Å; I316-M318 HydrophobicContact CB-CE 4.46Å; I316-M318 HydrophobicContact CG2-CE 3.92Å; I316-M318 HydrophobicContact CG2-CG 4.41Å
319	Q	90.4	Very high	92.9	Very high	152 Å²	152	73.1 Å²	73.1	71%	0.71	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-88	131	179.6	-71.5	-179.8	-24.2	0	0	109.9	H270	H270-Q319 PolarHBondContact NE2-O 3.39Å
320	M	85.4	Confident	92.5	Very high	95 Å²	95	73.4 Å²	73.4	47%	0.468	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-66.4	137.3	174.7	-169.3	171.2	77.1	0	0	110.1	A120 L230 V322	A120-M320 HydrophobicContact CB-CE 3.88Å; L230-M320 HydrophobicContact CD1-CB 4.08Å; L230-M320 HydrophobicContact CD1-CG 4.49Å; M320-V322 HydrophobicContact CE-CG2 3.89Å
321	A	81.8	Confident	92	Very high	11 Å²	11	76 Å²	76	9%	0.091	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-82.6	120.4	171	0	0	0	0	0	108.5	T60 Y267	T60-A321 HydrophobicContact CG2-CB 3.78Å; Y267-A321 HydrophobicContact CD1-CB 3.79Å; Y267-A321 HydrophobicContact CD2-CB 4.45Å; Y267-A321 HydrophobicContact CE1-CB 3.42Å; Y267-A321 VanDerWaalsContact CE1-CB 3.42Å; Y267-A321 HydrophobicContact CE2-CB 4.14Å; Y267-A321 HydrophobicContact CG-CB 4.29Å
322	V	68.5	Low	91.4	Very high	93 Å²	93	73.3 Å²	73.3	56%	0.564	38%	0.383	S	S	*	.			trans	-105.4	0	-176.5	-173.7	0	0	0	0	109.7	R59 T60 F126 M320	R59-V322 PolarHBondContact NH1-OXT 3.28Å; T60-V322 WeakPolarHBondContact CB-O 3.41Å; F126-V322 HydrophobicContact CD2-CG1 4.42Å; F126-V322 HydrophobicContact CE2-CG1 4.47Å; M320-V322 HydrophobicContact CE-CG2 3.89Å

Retrieved 322 of 322 residues in 721.2 ms (Link to these results)

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