A0A096NSI3_PAPAN Loading...

Trifunctional enzyme subunit alpha, mitochondrial

AlphaFold DB , UniProt , Accession A0A096NSI3, Species PAPAN (Papio anubis, Olive baboon), Gene HADHA, Length 763 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	30	Very low	234 Å²	234	139.8 Å²	139.8	100%	1.153	81%	0.812	S	S	*	*				0	105.1	0	-65.2	173.6	-107.1	0	0	105.7
2	V	28.8	Very low	29.7	Very low	147 Å²	147	148.8 Å²	148.8	89%	0.891	82%	0.822	S	S	*	*				72.4	123.5	76.7	174.2	0	0	0	0	109.5
3	A	28.6	Very low	29.9	Very low	84 Å²	84	154 Å²	154	69%	0.694	83%	0.832	S	S	*	*			cis	-134.1	144	18.2	0	0	0	0	0	111.6
4	C	33.2	Very low	29.9	Very low	117 Å²	117	151.6 Å²	151.6	79%	0.791	83%	0.833	S	S	*	*				63.1	135.4	79.3	-81.8	0	0	0	0	115.2
5	R	33.1	Very low	30.1	Very low	228 Å²	228	147.7 Å²	147.7	86%	0.86	83%	0.828	S	S	*	*			cis	-144.8	-173.6	0.1	-90.4	159.6	-175.5	178.1	-0.5	107.9
6	A	28.6	Very low	29.9	Very low	83 Å²	83	151.8 Å²	151.8	69%	0.686	84%	0.835	S	S	*	*			cis	-147.2	-179.5	12.1	0	0	0	0	0	108.5
7	I	32.5	Very low	29.8	Very low	165 Å²	165	155.5 Å²	155.5	85%	0.846	83%	0.834	S	S	*	*			cis	74.4	125.5	21.2	-46.2	172	0	0	0	114.1
8	G	27.4	Very low	29.9	Very low	67 Å²	67	154.6 Å²	154.6	69%	0.691	83%	0.827	S	S	*	*			cis	-152.3	-156	-2.2	0	0	0	0	0	110.5
9	I	26.8	Very low	29.7	Very low	162 Å²	162	155.6 Å²	155.6	83%	0.831	83%	0.831	S	S	*	*			cis	-153.9	151.7	19.4	-76.1	178.9	0	0	0	112.3
10	L	28.5	Very low	29.6	Very low	152 Å²	152	159.2 Å²	159.2	80%	0.796	83%	0.833	S	S	*	*			trans	-12.8	131.7	165.7	-66.1	159.2	0	0	0	123.8
11	S	29.9	Very low	29.7	Very low	99 Å²	99	156.4 Å²	156.4	69%	0.692	83%	0.827	S	S	*	*			trans	7.1	148.3	132.7	66	0	0	0	0	123.4
12	R	26.9	Very low	29.5	Very low	248 Å²	248	157.1 Å²	157.1	94%	0.936	82%	0.816	S	S	*	*				-160.1	148.9	122.6	-112.4	172.1	-170.1	-165.5	2.1	113.9
13	F	32.8	Very low	29.6	Very low	216 Å²	216	153.1 Å²	153.1	95%	0.947	81%	0.805	S	S	*	*			trans	-87.7	144.7	167	-94.6	-104.7	0	0	0	110.5
14	S	29.8	Very low	29.7	Very low	121 Å²	121	160.5 Å²	160.5	85%	0.846	82%	0.816	S	S	*	*			trans	-156.1	118.2	156.1	57.4	0	0	0	0	110
15	A	33.1	Very low	29.5	Very low	92 Å²	92	162.6 Å²	162.6	76%	0.76	82%	0.818	S	S	*	*			trans	-96.7	146.7	173.7	0	0	0	0	0	110.5
16	F	26.8	Very low	29.3	Very low	214 Å²	214	157.3 Å²	157.3	94%	0.939	82%	0.815	S	S	*	*			trans	-148.1	161.7	150.1	-127.3	-86.9	0	0	0	112
17	R	28	Very low	29.5	Very low	215 Å²	215	163.1 Å²	163.1	81%	0.811	82%	0.819	S	S	*	*			trans	-101.5	138.2	-165.4	-90.8	177.5	165.4	172.3	-4.4	114
18	I	31	Very low	29.2	Very low	138 Å²	138	162 Å²	162	71%	0.708	82%	0.815	S	S	*	*			trans	60.5	122.2	135.7	-57.1	166.6	0	0	0	118.3
19	L	25.9	Very low	29.3	Very low	175 Å²	175	168 Å²	168	92%	0.916	82%	0.822	S	S	*	*			trans	-135.6	152.4	141.6	-111.6	162.2	0	0	0	110.6
20	R	28.8	Very low	29.7	Very low	227 Å²	227	166.4 Å²	166.4	86%	0.857	82%	0.82	S	S	*	*			trans	-83.7	163	-176.6	-81.5	173.1	171	174.7	-4.1	110.8
21	S	30.5	Very low	29.7	Very low	101 Å²	101	162.3 Å²	162.3	71%	0.706	81%	0.814	S	S	*	*			cis	-171.9	-172.2	-10.8	54.9	0	0	0	0	109.6
22	R	28.5	Very low	30	Very low	248 Å²	248	163.4 Å²	163.4	94%	0.936	82%	0.822	S	S	*	*			trans	74.2	136.8	-176	-55.4	176.1	168.2	-179.7	-4.3	113.5
23	G	30.3	Very low	30.4	Very low	63 Å²	63	155.8 Å²	155.8	65%	0.649	81%	0.807	S	S	*	*			cis	-175	178.9	-4.6	0	0	0	0	0	112.2
24	Y	30.7	Very low	30.5	Very low	239 Å²	239	150.2 Å²	150.2	94%	0.937	80%	0.801	S	S	*	*			trans	68.3	106.7	178.8	-58.9	-78.7	0	0	0	117.3
25	I	30.3	Very low	31.2	Very low	162 Å²	162	150.5 Å²	150.5	83%	0.831	79%	0.792	S	S	*	*			trans	-79.7	117.2	166.3	-63.1	166.9	0	0	0	108	R27	I25-R27 HydrophobicContact CG2-CG 4.18Å
26	C	28.9	Very low	31.9	Very low	116 Å²	116	152.5 Å²	152.5	78%	0.784	79%	0.79	S	S	*	*			trans	-102.7	115.8	160.8	-155.7	0	0	0	0	108.4	N28	C26-N28 PolarHBondContact O-N 2.97Å
27	R	31.1	Very low	34	Very low	206 Å²	206	148.2 Å²	148.2	78%	0.777	78%	0.781	S	S	*	*			trans	-78.9	99.8	179.3	-83.1	-177.8	168.7	171	-4.2	109.9	I25 F29	I25-R27 HydrophobicContact CG2-CG 4.18Å; R27-F29 PolarHBondContact O-N 3.2Å
28	N	28.1	Very low	36.8	Very low	142 Å²	142	140.4 Å²	140.4	76%	0.759	75%	0.752	S	S	*	*			trans	-64.9	98.1	164.7	-75.3	-10	0	0	0	109.6	C26 T30	C26-N28 PolarHBondContact O-N 2.97Å; N28-T30 PolarHBondContact O-N 3.07Å; N28-T30 VanDerWaalsContact O-N 3.07Å
29	F	29.2	Very low	39.7	Very low	191 Å²	191	137 Å²	137	84%	0.838	74%	0.738	S	S	*	*			trans	-72.1	95	165.3	-102.3	-86.2	0	0	0	108.8	R27 G31	R27-F29 PolarHBondContact O-N 3.2Å; F29-G31 PolarHBondContact O-N 2.88Å
30	T	34.8	Very low	42.9	Very low	129 Å²	129	130 Å²	130	79%	0.791	70%	0.7	S	S	*	*			trans	-72.5	77.1	170	50	0	0	0	0	109.8	N28 S32	N28-T30 PolarHBondContact O-N 3.07Å; N28-T30 VanDerWaalsContact O-N 3.07Å; T30-S32 PolarHBondContact O-N 2.99Å
31	G	29.2	Very low	46	Very low	66 Å²	66	119.2 Å²	119.2	68%	0.68	66%	0.659	S	S	*	*			trans	-67.1	93.8	170.1	0	0	0	0	0	110.1	F29 S33	F29-G31 PolarHBondContact O-N 2.88Å; G31-S33 PolarHBondContact O-N 2.93Å
32	S	36.3	Very low	49	Very low	122 Å²	122	118.4 Å²	118.4	85%	0.853	65%	0.647	S	S	*	*			trans	-75.9	70.6	178.4	179.6	0	0	0	0	111.5	T30	T30-S32 PolarHBondContact O-N 2.99Å
33	S	34.4	Very low	51.8	Low	88 Å²	88	110.4 Å²	110.4	62%	0.615	62%	0.617	S	S	*	*			trans	-74.4	133.1	159.4	53.3	0	0	0	0	109.4	G31 L35	G31-S33 PolarHBondContact O-N 2.93Å; S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 2.91Å
34	A	35.5	Very low	54.8	Low	100 Å²	100	108.4 Å²	108.4	83%	0.826	60%	0.597	S	S	*	*			trans	-73.1	87.5	168.6	0	0	0	0	0	108.6	L36	A34-L36 PolarHBondContact O-N 3.2Å
35	L	42.9	Very low	57.9	Low	126 Å²	126	100.4 Å²	100.4	66%	0.66	57%	0.572	S	S	*	*			trans	-61.4	101.2	169.5	-84.8	164.1	0	0	0	108.7	S33 T37	S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 2.91Å; L35-T37 PolarHBondContact O-N 2.95Å
36	L	49.8	Very low	61	Low	135 Å²	135	97.4 Å²	97.4	71%	0.707	55%	0.553	S	S	*	*			trans	-54	122.7	161.6	-74	168.1	0	0	0	107.2	A34 R38	A34-L36 PolarHBondContact O-N 3.2Å; L36-R38 PolarHBondContact O-N 3.19Å
37	T	69	Low	64.1	Low	124 Å²	124	94.6 Å²	94.6	76%	0.761	54%	0.544	S	S	*	.			trans	-68.5	94.5	-177.4	47.9	0	0	0	0	109.3	L35 T39	L35-T37 PolarHBondContact O-N 2.95Å; T37-T39 WeakPolarHBondContact O-CG2 3.31Å; T37-T39 PolarHBondContact O-N 2.86Å
38	R	87.6	Confident	67.1	Low	51 Å²	51	86.6 Å²	86.6	19%	0.192	52%	0.517	C	S	.	.			trans	-54.4	119	179.3	-58.5	177.6	-172.7	154.8	7.8	109.5	L36 I41 E74 E78	L36-R38 PolarHBondContact O-N 3.19Å; R38-I41 WeakPolarHBondContact CB-O 3.21Å; R38-E74 IonicContact CZ-OE1 3.9Å; R38-E74 IonicContact NE-OE1 2.81Å; R38-E74 PolarHBondContact NE-OE1 2.93Å; R38-E74 IonicContact NH2-OE1 3.7Å; R38-E74 PolarHBondContact NH2-OE1 3.08Å; R38-E78 IonicContact CZ-OE1 2.66Å; R38-E78 IonicContact CZ-OE2 3.14Å; R38-E78 IonicContact NH1-OE1 3.18Å; R38-E78 IonicContact NH1-OE2 3.65Å; R38-E78 PolarHBondContact NH1-OE2 3.14Å; R38-E78 IonicContact NH2-OE1 3.36Å; R38-E78 PolarHBondContact NH2-OE1 3.18Å; R38-E78 IonicContact NH2-OE2 2.81Å; R38-E78 PolarHBondContact NH2-OE2 3.14Å
39	T	91.5	Very high	70.5	Confident	67 Å²	67	79.8 Å²	79.8	41%	0.411	48%	0.481	S	S	.	.	S	Bend	trans	-101.6	-32.7	-171.6	59.7	0	0	0	0	112.8	T37 P57 E71	T37-T39 WeakPolarHBondContact O-CG2 3.31Å; T37-T39 PolarHBondContact O-N 2.86Å; T39-P57 WeakPolarHBondContact O-CD 3.07Å; T39-E71 VanDerWaalsContact N-CD 3.26Å; T39-E71 PolarHBondContact N-OE1 2.66Å; T39-E71 PolarHBondContact N-OE2 2.81Å; T39-E71 VanDerWaalsContact N-OE2 3.1Å; T39-E71 PolarHBondContact OG1-OE1 3.18Å
40	H	92.6	Very high	73.7	Confident	28 Å²	28	70.7 Å²	70.7	13%	0.13	44%	0.441	C	S	.	.	S	Bend	trans	-101.9	-33.9	-177.2	-68.9	-96.8	0	0	0	113.4	N55 S56 L68 E71	H40-N55 CarbonylContact O-C 3.39Å; H40-N55 PolarHBondContact O-N 3.24Å; H40-S56 WeakPolarHBondContact ND1-CA 3.2Å; H40-S56 WeakPolarHBondContact ND1-CB 3Å; H40-S56 PolarHBondContact ND1-OG 3.35Å; H40-L68 HydrophobicContact CB-CB 3.92Å; H40-L68 HydrophobicContact CB-CD1 3.93Å; H40-L68 HydrophobicContact CB-CG 3.81Å; H40-E71 WeakPolarHBondContact CA-OE2 3.21Å; H40-E71 IonicContact CD2-OE1 2.81Å; H40-E71 PolarHBondContact N-OE1 2.74Å; H40-E71 PolarHBondContact N-OE2 2.76Å
41	I	94.4	Very high	76.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	105.2	-173.7	-54.8	-64	0	0	0	110.4	R38 V52 I54 L68 E71 F72 V75	R38-I41 WeakPolarHBondContact CB-O 3.21Å; I41-V52 HydrophobicContact CG2-CG1 3.48Å; I41-V52 VanDerWaalsContact CG2-CG1 3.48Å; I41-I54 HydrophobicContact CD1-CB 4.33Å; I41-I54 HydrophobicContact CD1-CG1 4Å; I41-I54 HydrophobicContact CD1-CG2 4.03Å; I41-L68 HydrophobicContact CD1-CD1 4.43Å; I41-L68 HydrophobicContact CD1-CD2 3.94Å; I41-L68 HydrophobicContact CD1-CG 3.88Å; I41-L68 HydrophobicContact CG1-CG 4.23Å; I41-E71 HydrophobicContact CB-CB 3.98Å; I41-E71 HydrophobicContact CG1-CB 3.86Å; I41-E71 PolarHBondContact N-OE2 3.41Å; I41-F72 HydrophobicContact CD1-CB 4.31Å; I41-F72 HydrophobicContact CG1-CB 4.11Å; I41-V75 HydrophobicContact CG2-CB 4.21Å; I41-V75 HydrophobicContact CG2-CG1 4.32Å; I41-V75 HydrophobicContact CG2-CG2 3.93Å
42	N	93	Very high	80	Confident	83 Å²	83	61.4 Å²	61.4	44%	0.444	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	150.7	172.3	-77.3	-97.5	0	0	0	110.7	R53	N42-R53 HydrophobicContact CB-CB 4.07Å; N42-R53 PolarHBondContact N-O 2.95Å; N42-R53 PolarHBondContact O-N 2.78Å
43	Y	88.9	Confident	82.9	Confident	80 Å²	80	58.2 Å²	58.2	31%	0.314	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.5	-174.3	169.8	-115.2	0	0	0	111.1	V45 A50 V75 I79 I85	Y43-V45 HydrophobicContact CE1-CG2 4.39Å; Y43-V45 HydrophobicContact CE2-CG2 4.08Å; Y43-V45 VanDerWaalsContact OH-CG2 3.31Å; Y43-V45 WeakPolarHBondContact OH-CG2 3.41Å; Y43-A50 HydrophobicContact CE2-CB 3.99Å; Y43-V75 HydrophobicContact CD2-CG1 4Å; Y43-V75 HydrophobicContact CG-CG1 4.31Å; Y43-I79 HydrophobicContact CD2-CD1 4.22Å; Y43-I79 HydrophobicContact CD2-CG1 4.46Å; Y43-I79 HydrophobicContact CE2-CD1 3.97Å; Y43-I79 HydrophobicContact CE2-CG1 3.78Å; Y43-I85 WeakPolarHBondContact OH-CD1 3.24Å
44	G	93.3	Very high	85.8	Confident	21 Å²	21	54 Å²	54	22%	0.216	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	169.7	172.7	0	0	0	0	0	111.1	V51	G44-V51 PolarHBondContact N-O 3.07Å; G44-V51 PolarHBondContact O-N 2.68Å
45	V	95.4	Very high	88.6	Confident	71 Å²	71	51.8 Å²	51.8	43%	0.43	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141	-171.4	-179.5	0	0	0	0	110.2	Y43 G47 V49 I85	Y43-V45 HydrophobicContact CE1-CG2 4.39Å; Y43-V45 HydrophobicContact CE2-CG2 4.08Å; Y43-V45 VanDerWaalsContact OH-CG2 3.31Å; Y43-V45 WeakPolarHBondContact OH-CG2 3.41Å; V45-G47 WeakPolarHBondContact CG1-O 3.33Å; V45-V49 WeakPolarHBondContact CA-O 3.12Å; V45-I85 HydrophobicContact CG2-CD1 4.4Å
46	K	94.8	Very high	90.8	Very high	99 Å²	99	45.9 Å²	45.9	43%	0.43	25%	0.254	S	S	.	.	S	Bend	trans	-131.8	80.7	179.6	-78.6	-178.3	168.8	178.4	0	110.8	V49 V51 E241 I245	K46-V49 PolarHBondContact N-O 2.82Å; K46-V51 HydrophobicContact CD-CG2 4.45Å; K46-E241 WeakPolarHBondContact CE-OE1 3.3Å; K46-E241 IonicContact NZ-OE1 3.96Å; K46-E241 PolarHBondContact NZ-OE1 3.35Å; K46-I245 HydrophobicContact CB-CD1 4.36Å; K46-I245 HydrophobicContact CD-CD1 3.56Å
47	G	94.3	Very high	92.3	Very high	58 Å²	58	42.7 Å²	42.7	60%	0.598	24%	0.241	S	C	*	.	S	Bend	trans	75.3	-132.9	-168.2	0	0	0	0	0	110.4	V45 V49	V45-G47 WeakPolarHBondContact CG1-O 3.33Å; G47-V49 PolarHBondContact O-N 2.71Å
48	D	95	Very high	92.9	Very high	37 Å²	37	44.9 Å²	44.9	20%	0.198	25%	0.248	C	C	.	.	S	Bend	trans	-80.4	17.8	177.9	63.2	-38.7	0	0	0	114.4	R86 S87 K249	D48-R86 HydrophobicContact CB-CB 4.24Å; D48-R86 HydrophobicContact CB-CG 4.19Å; D48-R86 PolarHBondContact O-N 2.69Å; D48-R86 IonicContact OD2-NH1 2.68Å; D48-R86 PolarHBondContact OD2-NH1 3.37Å; D48-S87 PolarHBondContact O-N 2.69Å; D48-K249 WeakPolarHBondContact OD1-CE 3.43Å; D48-K249 IonicContact OD1-NZ 2.82Å; D48-K249 PolarHBondContact OD1-NZ 2.73Å; D48-K249 VanDerWaalsContact OD1-NZ 3.07Å
49	V	97.8	Very high	92.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.7	-172.6	-171.6	0	0	0	0	111	V45 K46 G47 S87 V89 I245 A248 K249	V45-V49 WeakPolarHBondContact CA-O 3.12Å; K46-V49 PolarHBondContact N-O 2.82Å; G47-V49 PolarHBondContact O-N 2.71Å; V49-S87 WeakPolarHBondContact CA-O 3.47Å; V49-V89 HydrophobicContact CG1-CG2 4.1Å; V49-I245 HydrophobicContact CB-CG2 4.46Å; V49-I245 HydrophobicContact CG1-CG1 4.3Å; V49-I245 HydrophobicContact CG1-CG2 4.48Å; V49-I245 HydrophobicContact CG2-CG2 4.27Å; V49-A248 HydrophobicContact CG1-CB 4.03Å; V49-K249 HydrophobicContact CG2-CD 4.12Å; V49-K249 HydrophobicContact CG2-CG 3.5Å; V49-K249 VanDerWaalsContact CG2-CG 3.5Å
50	A	98.2	Very high	92.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	143.8	168	0	0	0	0	0	111.2	Y43 I79 I85 S87 A88 V89	Y43-A50 HydrophobicContact CE2-CB 3.99Å; A50-I79 HydrophobicContact CB-CD1 3.65Å; A50-I79 HydrophobicContact CB-CG1 3.73Å; A50-I79 HydrophobicContact CB-CG2 4.3Å; A50-I85 HydrophobicContact CB-CD1 4.32Å; A50-I85 HydrophobicContact CB-CG2 3.85Å; A50-S87 PolarHBondContact N-O 2.88Å; A50-A88 HydrophobicContact CB-CB 3.99Å; A50-A88 CarbonylContact O-C 3.59Å; A50-A88 VanDerWaalsContact O-CA 3.3Å; A50-A88 WeakPolarHBondContact O-CA 3.45Å; A50-V89 PolarHBondContact O-N 3.23Å
51	V	98.1	Very high	92.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	105.7	173	-171.9	0	0	0	0	109	G44 K46 R53 I91 E241 I245	G44-V51 PolarHBondContact N-O 3.07Å; G44-V51 PolarHBondContact O-N 2.68Å; K46-V51 HydrophobicContact CD-CG2 4.45Å; V51-R53 HydrophobicContact CG1-CG 4.15Å; V51-I91 HydrophobicContact CG1-CG2 4.12Å; V51-E241 HydrophobicContact CG1-CG 3.86Å; V51-I245 HydrophobicContact CG2-CD1 3.99Å; V51-I245 HydrophobicContact CG2-CG1 4.16Å
52	V	97.9	Very high	92	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.7	176.8	-174.7	0	0	0	0	108.5	I41 V75 I79 V89 L90 I91	I41-V52 HydrophobicContact CG2-CG1 3.48Å; I41-V52 VanDerWaalsContact CG2-CG1 3.48Å; V52-V75 HydrophobicContact CG1-CG1 4.18Å; V52-V75 HydrophobicContact CG2-CG1 3.83Å; V52-I79 HydrophobicContact CG2-CD1 3.41Å; V52-I79 VanDerWaalsContact CG2-CD1 3.41Å; V52-V89 PolarHBondContact N-O 3.3Å; V52-L90 HydrophobicContact CB-CD2 3.59Å; V52-L90 HydrophobicContact CG1-CD2 4.14Å; V52-L90 HydrophobicContact CG2-CD2 3.67Å; V52-I91 PolarHBondContact O-N 3.22Å
53	R	96.6	Very high	92	Very high	54 Å²	54	49.5 Å²	49.5	20%	0.204	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	110.2	-172.7	-65.8	-165.8	-173.4	85.3	1	111.2	N42 V51 I91 E241	N42-R53 HydrophobicContact CB-CB 4.07Å; N42-R53 PolarHBondContact N-O 2.95Å; N42-R53 PolarHBondContact O-N 2.78Å; V51-R53 HydrophobicContact CG1-CG 4.15Å; R53-I91 CarbonylContact C-O 3.44Å; R53-I91 WeakPolarHBondContact CA-O 3.37Å; R53-I91 HydrophobicContact CG-CG2 3.83Å; R53-E241 IonicContact CZ-OE1 2.69Å; R53-E241 IonicContact CZ-OE2 3.65Å; R53-E241 VanDerWaalsContact CZ-OE2 3.22Å; R53-E241 IonicContact NE-OE2 3.4Å; R53-E241 PolarHBondContact NE-OE2 2.99Å; R53-E241 IonicContact NH2-OE1 3.22Å; R53-E241 PolarHBondContact NH2-OE1 2.86Å; R53-E241 IonicContact NH2-OE2 2.69Å; R53-E241 PolarHBondContact NH2-OE2 3.3Å
54	I	95.6	Very high	92	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	122.4	-175.1	-47.8	179.9	0	0	0	109.8	I41 N62 L68 I91 S92 S93 I99	I41-I54 HydrophobicContact CD1-CB 4.33Å; I41-I54 HydrophobicContact CD1-CG1 4Å; I41-I54 HydrophobicContact CD1-CG2 4.03Å; I54-N62 HydrophobicContact CG2-CB 4.14Å; I54-N62 PolarHBondContact O-ND2 3.35Å; I54-L68 HydrophobicContact CG2-CD1 4.06Å; I54-I91 PolarHBondContact N-O 2.84Å; I54-S92 WeakPolarHBondContact O-CA 3.35Å; I54-S92 PolarHBondContact O-OG 2.91Å; I54-S93 PolarHBondContact O-N 2.91Å; I54-I99 HydrophobicContact CD1-CD1 3.83Å; I54-I99 HydrophobicContact CD1-CG1 4.24Å
55	N	92.9	Very high	91.8	Very high	53 Å²	53	47.3 Å²	47.3	28%	0.283	26%	0.261	S	S	.	.			trans	-156.9	92.8	178.7	-179.2	32.9	0	0	0	111.9	H40 P57 N62 K94	H40-N55 CarbonylContact O-C 3.39Å; H40-N55 PolarHBondContact O-N 3.24Å; N55-P57 WeakPolarHBondContact O-CD 3.24Å; N55-N62 WeakPolarHBondContact CA-OD1 3.38Å; N55-K94 WeakPolarHBondContact OD1-CE 3.29Å; N55-K94 PolarHBondContact OD1-NZ 2.82Å
56	S	89.9	Confident	91.3	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.014	26%	0.26	C	S	.	.			trans	-65.7	117.2	172.6	-62.1	0	0	0	0	110.4	H40 S59 N62 K94	H40-S56 WeakPolarHBondContact ND1-CA 3.2Å; H40-S56 WeakPolarHBondContact ND1-CB 3Å; H40-S56 PolarHBondContact ND1-OG 3.35Å; S56-S59 PolarHBondContact O-N 2.77Å; S56-N62 PolarHBondContact N-OD1 3.01Å; S56-K94 VanDerWaalsContact O-CE 3.32Å; S56-K94 WeakPolarHBondContact O-CE 3.26Å; S56-K94 PolarHBondContact O-NZ 3.36Å
57	P	82.2	Confident	91	Very high	67 Å²	67	48.7 Å²	48.7	44%	0.435	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-45.1	-165.4	24.3	-31.8	0	0	0	112.1	T39 N55 S59	T39-P57 WeakPolarHBondContact O-CD 3.07Å; N55-P57 WeakPolarHBondContact O-CD 3.24Å; P57-S59 PolarHBondContact O-N 3.1Å
58	N	80.8	Confident	90.9	Very high	170 Å²	170	46.2 Å²	46.2	91%	0.909	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	16.2	-175.5	-63	-28.3	0	0	0	114.1
59	S	81.3	Confident	90.6	Very high	42 Å²	42	47.2 Å²	47.2	29%	0.294	24%	0.24	S	C	.	.			trans	-135.6	147.8	-176.5	-177.2	0	0	0	0	113.7	S56 P57 V61 K94	S56-S59 PolarHBondContact O-N 2.77Å; P57-S59 PolarHBondContact O-N 3.1Å; S59-V61 VanDerWaalsContact CB-O 3.22Å; S59-V61 WeakPolarHBondContact CB-O 3.34Å; S59-V61 PolarHBondContact O-N 2.78Å; S59-V61 PolarHBondContact OG-N 2.88Å; S59-V61 VanDerWaalsContact OG-N 3.17Å; S59-V61 PolarHBondContact OG-O 3.18Å; S59-K94 VanDerWaalsContact O-CE 3.31Å; S59-K94 WeakPolarHBondContact O-CE 3.33Å; S59-K94 PolarHBondContact O-NZ 3.32Å
60	K	84.7	Confident	90.3	Very high	203 Å²	203	50.7 Å²	50.7	88%	0.883	26%	0.264	S	S	*	.	S	Bend	trans	-75.6	-9.8	172.3	-64.3	-169.2	177	-171.6	0	113.4
61	V	89.6	Confident	90.2	Very high	56 Å²	56	51.7 Å²	51.7	34%	0.339	27%	0.269	S	S	.	.	S	Bend	trans	-140.7	150.8	176.1	-69.9	0	0	0	0	110.2	S59 T63 C97 A100	S59-V61 VanDerWaalsContact CB-O 3.22Å; S59-V61 WeakPolarHBondContact CB-O 3.34Å; S59-V61 PolarHBondContact O-N 2.78Å; S59-V61 PolarHBondContact OG-N 2.88Å; S59-V61 VanDerWaalsContact OG-N 3.17Å; S59-V61 PolarHBondContact OG-O 3.18Å; V61-T63 HydrophobicContact CG2-CG2 4.28Å; V61-C97 HydrophobicContact CG1-CB 4.23Å; V61-A100 HydrophobicContact CB-CB 3.95Å; V61-A100 HydrophobicContact CG1-CB 4.44Å; V61-A100 HydrophobicContact CG2-CB 4.07Å
62	N	92.7	Very high	90	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.			trans	-76.8	130	171.2	-68.1	-22	0	0	0	109.3	I54 N55 S56 S92 K94 F98 I99 A100	I54-N62 HydrophobicContact CG2-CB 4.14Å; I54-N62 PolarHBondContact O-ND2 3.35Å; N55-N62 WeakPolarHBondContact CA-OD1 3.38Å; S56-N62 PolarHBondContact N-OD1 3.01Å; N62-S92 PolarHBondContact ND2-OG 2.86Å; N62-K94 WeakPolarHBondContact OD1-CE 3.19Å; N62-F98 VanDerWaalsContact CB-O 3.32Å; N62-F98 WeakPolarHBondContact CB-O 3.5Å; N62-F98 PolarHBondContact ND2-O 2.84Å; N62-I99 HydrophobicContact CB-CG1 4.44Å; N62-A100 PolarHBondContact O-N 3.44Å
63	T	91.3	Very high	89.8	Confident	26 Å²	26	53.3 Å²	53.3	16%	0.16	28%	0.278	C	S	.	.			trans	-128.3	143.1	177.1	43.1	0	0	0	0	109.6	V61 S65 L68 G101	V61-T63 HydrophobicContact CG2-CG2 4.28Å; T63-S65 PolarHBondContact O-N 3.04Å; T63-S65 VanDerWaalsContact O-N 3.11Å; T63-L68 WeakPolarHBondContact O-CD1 3.49Å; T63-G101 WeakPolarHBondContact CA-O 3.3Å
64	L	89.8	Confident	89.8	Confident	40 Å²	40	53.6 Å²	53.6	21%	0.209	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-76	98.7	174.3	-56.9	178.1	0	0	0	109	L68 I99 G101 D103	L64-L68 HydrophobicContact CD2-CD2 3.78Å; L64-I99 HydrophobicContact CD2-CD1 4.13Å; L64-I99 HydrophobicContact CD2-CG2 4.11Å; L64-I99 HydrophobicContact CG-CG2 3.99Å; L64-G101 PolarHBondContact N-O 3.01Å; L64-D103 PolarHBondContact O-N 3.5Å; L64-D103 VanDerWaalsContact O-N 3.09Å
65	S	87.9	Confident	89.8	Confident	14 Å²	14	53.6 Å²	53.6	10%	0.098	28%	0.282	C	S	.	.			trans	-100.8	172.6	169.4	77.2	0	0	0	0	110.8	T63 E67 L68 H69	T63-S65 PolarHBondContact O-N 3.04Å; T63-S65 VanDerWaalsContact O-N 3.11Å; S65-E67 VanDerWaalsContact C-N 3.29Å; S65-E67 WeakPolarHBondContact CB-OE2 3.43Å; S65-E67 PolarHBondContact O-N 3.08Å; S65-E67 PolarHBondContact OG-OE2 3.38Å; S65-L68 PolarHBondContact OG-N 2.91Å; S65-H69 WeakPolarHBondContact O-CB 3.46Å; S65-H69 PolarHBondContact O-N 3.48Å
66	K	86.4	Confident	89.9	Confident	93 Å²	93	51 Å²	51	40%	0.404	27%	0.268	S	S	.	.	H	α-helix	trans	-64.9	-36.4	-179.7	-60.1	-168.4	-178.8	-175.5	0	111.4	H69 S70 M106 E115	K66-H69 PolarHBondContact O-N 2.88Å; K66-S70 WeakPolarHBondContact O-CB 3.37Å; K66-S70 PolarHBondContact O-N 2.8Å; K66-M106 HydrophobicContact CD-SD 4.36Å; K66-M106 HydrophobicContact CG-CG 4.35Å; K66-M106 HydrophobicContact CG-SD 3.53Å; K66-M106 VanDerWaalsContact CG-SD 3.53Å; K66-E115 IonicContact NZ-OE1 3.15Å
67	E	89	Confident	90.2	Very high	107 Å²	107	54.3 Å²	54.3	50%	0.5	29%	0.285	S	S	.	.	H	α-helix	trans	-67.9	-49.8	179.9	-49.9	69.1	-145.4	0	0	110.2	S65 H69 S70 E71	S65-E67 VanDerWaalsContact C-N 3.29Å; S65-E67 WeakPolarHBondContact CB-OE2 3.43Å; S65-E67 PolarHBondContact O-N 3.08Å; S65-E67 PolarHBondContact OG-OE2 3.38Å; E67-H69 VanDerWaalsContact C-N 3.31Å; E67-H69 PolarHBondContact O-N 3.39Å; E67-S70 WeakPolarHBondContact O-CB 3.42Å; E67-S70 PolarHBondContact O-N 3.35Å; E67-S70 VanDerWaalsContact O-N 3.13Å; E67-E71 PolarHBondContact O-N 2.79Å
68	L	90.9	Very high	90.8	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-41.1	176	-170.5	155.9	0	0	0	111.5	H40 I41 I54 T63 L64 S65 S70 F72	H40-L68 HydrophobicContact CB-CB 3.92Å; H40-L68 HydrophobicContact CB-CD1 3.93Å; H40-L68 HydrophobicContact CB-CG 3.81Å; I41-L68 HydrophobicContact CD1-CD1 4.43Å; I41-L68 HydrophobicContact CD1-CD2 3.94Å; I41-L68 HydrophobicContact CD1-CG 3.88Å; I41-L68 HydrophobicContact CG1-CG 4.23Å; I54-L68 HydrophobicContact CG2-CD1 4.06Å; T63-L68 WeakPolarHBondContact O-CD1 3.49Å; L64-L68 HydrophobicContact CD2-CD2 3.78Å; S65-L68 PolarHBondContact OG-N 2.91Å; L68-S70 VanDerWaalsContact C-N 3.33Å; L68-S70 PolarHBondContact O-N 3.37Å; L68-F72 WeakPolarHBondContact O-CB 3.49Å; L68-F72 PolarHBondContact O-N 3.05Å
69	H	90.1	Very high	91.5	Very high	59 Å²	59	46.5 Å²	46.5	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-38.1	176	-178.7	83.6	0	0	0	112.5	S65 K66 E67 T73	S65-H69 WeakPolarHBondContact O-CB 3.46Å; S65-H69 PolarHBondContact O-N 3.48Å; K66-H69 PolarHBondContact O-N 2.88Å; E67-H69 VanDerWaalsContact C-N 3.31Å; E67-H69 PolarHBondContact O-N 3.39Å; H69-T73 WeakPolarHBondContact O-CB 3.46Å; H69-T73 PolarHBondContact O-N 3.04Å; H69-T73 PolarHBondContact O-OG1 3.13Å
70	S	91.4	Very high	92.2	Very high	73 Å²	73	46.6 Å²	46.6	51%	0.51	23%	0.232	S	C	.	.	H	α-helix	trans	-66	-53.8	175.5	-171.3	0	0	0	0	111.6	K66 E67 L68 F72 T73 E74	K66-S70 WeakPolarHBondContact O-CB 3.37Å; K66-S70 PolarHBondContact O-N 2.8Å; E67-S70 WeakPolarHBondContact O-CB 3.42Å; E67-S70 PolarHBondContact O-N 3.35Å; E67-S70 VanDerWaalsContact O-N 3.13Å; L68-S70 VanDerWaalsContact C-N 3.33Å; L68-S70 PolarHBondContact O-N 3.37Å; S70-F72 VanDerWaalsContact C-N 3.29Å; S70-F72 PolarHBondContact O-N 3.11Å; S70-T73 PolarHBondContact O-N 3.5Å; S70-T73 VanDerWaalsContact O-N 3.11Å; S70-E74 PolarHBondContact O-N 3.04Å
71	E	94.8	Very high	92.8	Very high	21 Å²	21	40.7 Å²	40.7	10%	0.098	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-38.8	177.7	-67.2	-177.4	-164	0	0	112.2	T39 H40 I41 E67 E74 V75	T39-E71 VanDerWaalsContact N-CD 3.26Å; T39-E71 PolarHBondContact N-OE1 2.66Å; T39-E71 PolarHBondContact N-OE2 2.81Å; T39-E71 VanDerWaalsContact N-OE2 3.1Å; T39-E71 PolarHBondContact OG1-OE1 3.18Å; H40-E71 WeakPolarHBondContact CA-OE2 3.21Å; H40-E71 IonicContact CD2-OE1 2.81Å; H40-E71 PolarHBondContact N-OE1 2.74Å; H40-E71 PolarHBondContact N-OE2 2.76Å; I41-E71 HydrophobicContact CB-CB 3.98Å; I41-E71 HydrophobicContact CG1-CB 3.86Å; I41-E71 PolarHBondContact N-OE2 3.41Å; E67-E71 PolarHBondContact O-N 2.79Å; E71-E74 PolarHBondContact O-N 2.93Å; E71-V75 WeakPolarHBondContact O-CB 3.38Å; E71-V75 WeakPolarHBondContact O-CG2 3.32Å; E71-V75 PolarHBondContact O-N 2.97Å
72	F	94.8	Very high	93.1	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-41.5	176.3	178.9	-102.7	0	0	0	111.9	I41 L68 S70 V75 M76 L90 I126 L130 L152	I41-F72 HydrophobicContact CD1-CB 4.31Å; I41-F72 HydrophobicContact CG1-CB 4.11Å; L68-F72 WeakPolarHBondContact O-CB 3.49Å; L68-F72 PolarHBondContact O-N 3.05Å; S70-F72 VanDerWaalsContact C-N 3.29Å; S70-F72 PolarHBondContact O-N 3.11Å; F72-V75 PolarHBondContact O-N 2.86Å; F72-M76 HydrophobicContact CD1-CG 4.21Å; F72-M76 HydrophobicContact CD2-CG 4.2Å; F72-M76 HydrophobicContact CE1-CG 3.76Å; F72-M76 HydrophobicContact CE2-CG 3.74Å; F72-M76 HydrophobicContact CE2-SD 4.07Å; F72-M76 HydrophobicContact CG-CG 4.42Å; F72-M76 HydrophobicContact CZ-CG 3.51Å; F72-M76 HydrophobicContact CZ-SD 4.04Å; F72-M76 WeakPolarHBondContact O-CB 3.34Å; F72-M76 VanDerWaalsContact O-CG 3.32Å; F72-M76 WeakPolarHBondContact O-CG 3.22Å; F72-M76 PolarHBondContact O-N 2.73Å; F72-L90 HydrophobicContact CE2-CD1 3.94Å; F72-L90 HydrophobicContact CE2-CD2 4.06Å; F72-L90 HydrophobicContact CZ-CD1 4Å; F72-I126 HydrophobicContact CD1-CG2 4.07Å; F72-I126 HydrophobicContact CE1-CG2 3.92Å; F72-L130 HydrophobicContact CZ-CD2 4.29Å; F72-L152 HydrophobicContact CE1-CD1 4.24Å; F72-L152 HydrophobicContact CE2-CD1 4.39Å; F72-L152 HydrophobicContact CZ-CD1 4.03Å
73	T	93.9	Very high	93.2	Very high	26 Å²	26	47 Å²	47	16%	0.16	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-41.1	178.1	-62.3	0	0	0	0	111.3	H69 S70 N77 I126	H69-T73 WeakPolarHBondContact O-CB 3.46Å; H69-T73 PolarHBondContact O-N 3.04Å; H69-T73 PolarHBondContact O-OG1 3.13Å; S70-T73 PolarHBondContact O-N 3.5Å; S70-T73 VanDerWaalsContact O-N 3.11Å; T73-N77 WeakPolarHBondContact O-CB 3.5Å; T73-N77 PolarHBondContact O-N 3.42Å; T73-N77 PolarHBondContact O-ND2 2.86Å; T73-I126 HydrophobicContact CG2-CD1 3.71Å
74	E	95	Very high	93.4	Very high	61 Å²	61	53.3 Å²	53.3	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-57.5	-56.4	173	-173.5	-176	129.7	0	0	111.3	R38 S70 E71 M76 N77 E78	R38-E74 IonicContact CZ-OE1 3.9Å; R38-E74 IonicContact NE-OE1 2.81Å; R38-E74 PolarHBondContact NE-OE1 2.93Å; R38-E74 IonicContact NH2-OE1 3.7Å; R38-E74 PolarHBondContact NH2-OE1 3.08Å; S70-E74 PolarHBondContact O-N 3.04Å; E71-E74 PolarHBondContact O-N 2.93Å; E74-M76 VanDerWaalsContact C-N 3.34Å; E74-M76 PolarHBondContact O-N 2.73Å; E74-N77 WeakPolarHBondContact O-CB 3.49Å; E74-N77 PolarHBondContact O-N 3.07Å; E74-N77 VanDerWaalsContact O-N 3.13Å; E74-E78 PolarHBondContact O-N 2.79Å; E74-E78 VanDerWaalsContact O-N 3.08Å
75	V	96.2	Very high	93.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-39.3	-179.5	169.9	0	0	0	0	112.4	I41 Y43 V52 E71 F72 E78 I79	I41-V75 HydrophobicContact CG2-CB 4.21Å; I41-V75 HydrophobicContact CG2-CG1 4.32Å; I41-V75 HydrophobicContact CG2-CG2 3.93Å; Y43-V75 HydrophobicContact CD2-CG1 4Å; Y43-V75 HydrophobicContact CG-CG1 4.31Å; V52-V75 HydrophobicContact CG1-CG1 4.18Å; V52-V75 HydrophobicContact CG2-CG1 3.83Å; E71-V75 WeakPolarHBondContact O-CB 3.38Å; E71-V75 WeakPolarHBondContact O-CG2 3.32Å; E71-V75 PolarHBondContact O-N 2.97Å; F72-V75 PolarHBondContact O-N 2.86Å; V75-E78 PolarHBondContact O-N 2.87Å; V75-I79 HydrophobicContact CG1-CD1 3.82Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 3.34Å; V75-I79 PolarHBondContact O-N 3.15Å
76	M	95.8	Very high	94.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.4	-34.8	176.6	-73.3	-54.3	-48.1	0	0	112.5	F72 E74 I79 W80 L90 L130 V137	F72-M76 HydrophobicContact CD1-CG 4.21Å; F72-M76 HydrophobicContact CD2-CG 4.2Å; F72-M76 HydrophobicContact CE1-CG 3.76Å; F72-M76 HydrophobicContact CE2-CG 3.74Å; F72-M76 HydrophobicContact CE2-SD 4.07Å; F72-M76 HydrophobicContact CG-CG 4.42Å; F72-M76 HydrophobicContact CZ-CG 3.51Å; F72-M76 HydrophobicContact CZ-SD 4.04Å; F72-M76 WeakPolarHBondContact O-CB 3.34Å; F72-M76 VanDerWaalsContact O-CG 3.32Å; F72-M76 WeakPolarHBondContact O-CG 3.22Å; F72-M76 PolarHBondContact O-N 2.73Å; E74-M76 VanDerWaalsContact C-N 3.34Å; E74-M76 PolarHBondContact O-N 2.73Å; M76-I79 HydrophobicContact CE-CG2 4.31Å; M76-I79 PolarHBondContact O-N 3.11Å; M76-I79 HydrophobicContact SD-CD1 4.19Å; M76-W80 HydrophobicContact CB-CD2 4.44Å; M76-W80 HydrophobicContact CB-CE3 4.07Å; M76-W80 HydrophobicContact CB-CH2 3.81Å; M76-W80 HydrophobicContact CB-CZ2 4.22Å; M76-W80 HydrophobicContact CB-CZ3 3.74Å; M76-W80 HydrophobicContact CE-CD2 4.35Å; M76-W80 HydrophobicContact CE-CH2 4.38Å; M76-W80 HydrophobicContact CE-CZ2 3.7Å; M76-W80 WeakPolarHBondContact O-CB 3.45Å; M76-W80 VanDerWaalsContact O-CE3 3.25Å; M76-W80 VanDerWaalsContact O-CG 3.29Å; M76-W80 PolarHBondContact O-N 3.06Å; M76-L90 HydrophobicContact SD-CD2 4.15Å; M76-L130 HydrophobicContact CE-CD1 3.78Å; M76-L130 HydrophobicContact SD-CD1 4.4Å; M76-V137 HydrophobicContact CE-CG2 4.4Å
77	N	95.4	Very high	94.8	Very high	70 Å²	70	51.8 Å²	51.8	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-65.3	-40.7	173.4	-69	-32.9	0	0	0	111.7	T73 E74 I79 W80 A81	T73-N77 WeakPolarHBondContact O-CB 3.5Å; T73-N77 PolarHBondContact O-N 3.42Å; T73-N77 PolarHBondContact O-ND2 2.86Å; E74-N77 WeakPolarHBondContact O-CB 3.49Å; E74-N77 PolarHBondContact O-N 3.07Å; E74-N77 VanDerWaalsContact O-N 3.13Å; N77-I79 PolarHBondContact O-N 3.46Å; N77-W80 PolarHBondContact O-N 2.69Å; N77-A81 WeakPolarHBondContact O-CB 3.35Å; N77-A81 PolarHBondContact O-N 2.79Å
78	E	95.4	Very high	95.2	Very high	73 Å²	73	46.7 Å²	46.7	34%	0.341	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-46.6	172.4	-65.8	-178.4	145.4	0	0	111.6	R38 E74 V75 A81 S82	R38-E78 IonicContact CZ-OE1 2.66Å; R38-E78 IonicContact CZ-OE2 3.14Å; R38-E78 IonicContact NH1-OE1 3.18Å; R38-E78 IonicContact NH1-OE2 3.65Å; R38-E78 PolarHBondContact NH1-OE2 3.14Å; R38-E78 IonicContact NH2-OE1 3.36Å; R38-E78 PolarHBondContact NH2-OE1 3.18Å; R38-E78 IonicContact NH2-OE2 2.81Å; R38-E78 PolarHBondContact NH2-OE2 3.14Å; E74-E78 PolarHBondContact O-N 2.79Å; E74-E78 VanDerWaalsContact O-N 3.08Å; V75-E78 PolarHBondContact O-N 2.87Å; E78-A81 PolarHBondContact O-N 3.24Å; E78-S82 VanDerWaalsContact O-CB 3.24Å; E78-S82 WeakPolarHBondContact O-CB 3.41Å; E78-S82 PolarHBondContact O-N 3.19Å
79	I	95.5	Very high	95.6	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-41	179.5	-71.7	167.9	0	0	0	111.6	Y43 A50 V52 V75 M76 N77 I85 A88 K135	Y43-I79 HydrophobicContact CD2-CD1 4.22Å; Y43-I79 HydrophobicContact CD2-CG1 4.46Å; Y43-I79 HydrophobicContact CE2-CD1 3.97Å; Y43-I79 HydrophobicContact CE2-CG1 3.78Å; A50-I79 HydrophobicContact CB-CD1 3.65Å; A50-I79 HydrophobicContact CB-CG1 3.73Å; A50-I79 HydrophobicContact CB-CG2 4.3Å; V52-I79 HydrophobicContact CG2-CD1 3.41Å; V52-I79 VanDerWaalsContact CG2-CD1 3.41Å; V75-I79 HydrophobicContact CG1-CD1 3.82Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 3.34Å; V75-I79 PolarHBondContact O-N 3.15Å; M76-I79 HydrophobicContact CE-CG2 4.31Å; M76-I79 PolarHBondContact O-N 3.11Å; M76-I79 HydrophobicContact SD-CD1 4.19Å; N77-I79 PolarHBondContact O-N 3.46Å; I79-I85 HydrophobicContact CG1-CD1 4.39Å; I79-I85 HydrophobicContact CG2-CG2 4.27Å; I79-A88 HydrophobicContact CG2-CB 4.09Å; I79-K135 VanDerWaalsContact O-CD 3.3Å; I79-K135 WeakPolarHBondContact O-CD 3.33Å; I79-K135 PolarHBondContact O-NZ 3.27Å
80	W	96.1	Very high	96	Very high	44 Å²	44	43.7 Å²	43.7	17%	0.167	23%	0.232	C	C	.	.	H	α-helix	trans	-68.2	-41.9	176.7	-71.3	-40.5	0	0	0	112.2	M76 N77 K129 L130 S133 K135	M76-W80 HydrophobicContact CB-CD2 4.44Å; M76-W80 HydrophobicContact CB-CE3 4.07Å; M76-W80 HydrophobicContact CB-CH2 3.81Å; M76-W80 HydrophobicContact CB-CZ2 4.22Å; M76-W80 HydrophobicContact CB-CZ3 3.74Å; M76-W80 HydrophobicContact CE-CD2 4.35Å; M76-W80 HydrophobicContact CE-CH2 4.38Å; M76-W80 HydrophobicContact CE-CZ2 3.7Å; M76-W80 WeakPolarHBondContact O-CB 3.45Å; M76-W80 VanDerWaalsContact O-CE3 3.25Å; M76-W80 VanDerWaalsContact O-CG 3.29Å; M76-W80 PolarHBondContact O-N 3.06Å; N77-W80 PolarHBondContact O-N 2.69Å; W80-K129 HydrophobicContact CH2-CB 3.49Å; W80-K129 VanDerWaalsContact CH2-CB 3.49Å; W80-K129 HydrophobicContact CH2-CD 4.19Å; W80-K129 HydrophobicContact CZ2-CB 3.97Å; W80-K129 HydrophobicContact CZ3-CB 4.09Å; W80-K129 HydrophobicContact CZ3-CD 3.97Å; W80-L130 HydrophobicContact CZ2-CD1 4.36Å; W80-S133 PolarHBondContact NE1-OG 3.18Å; W80-K135 PolarHBondContact O-NZ 3.29Å
81	A	96.1	Very high	96.3	Very high	78 Å²	78	40.3 Å²	40.3	65%	0.645	21%	0.208	S	C	*	.	H	α-helix	trans	-75.8	-29.2	-178.8	0	0	0	0	0	114.6	N77 E78 D83	N77-A81 WeakPolarHBondContact O-CB 3.35Å; N77-A81 PolarHBondContact O-N 2.79Å; E78-A81 PolarHBondContact O-N 3.24Å; A81-D83 PolarHBondContact O-N 2.8Å
82	S	96.3	Very high	96.3	Very high	38 Å²	38	39.4 Å²	39.4	27%	0.266	20%	0.204	S	C	.	.			trans	-80.2	110.2	-173.4	-180	0	0	0	0	113.6	E78 Q84 I85 K135	E78-S82 VanDerWaalsContact O-CB 3.24Å; E78-S82 WeakPolarHBondContact O-CB 3.41Å; E78-S82 PolarHBondContact O-N 3.19Å; S82-Q84 PolarHBondContact O-N 2.85Å; S82-Q84 VanDerWaalsContact O-N 3.14Å; S82-I85 PolarHBondContact O-N 2.94Å; S82-I85 VanDerWaalsContact O-N 3.14Å; S82-K135 PolarHBondContact O-NZ 2.86Å
83	D	95.6	Very high	96.3	Very high	150 Å²	150	41.7 Å²	41.7	80%	0.802	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.7	177.3	-67.3	-46.7	0	0	0	114.3	A81 I85	A81-D83 PolarHBondContact O-N 2.8Å; D83-I85 PolarHBondContact O-N 2.81Å
84	Q	95.7	Very high	96.2	Very high	159 Å²	159	41.4 Å²	41.4	74%	0.743	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-10	174.7	-57.2	-62.5	-25.4	0	0	113	S82	S82-Q84 PolarHBondContact O-N 2.85Å; S82-Q84 VanDerWaalsContact O-N 3.14Å
85	I	97.4	Very high	95.9	Very high	3 Å²	3	42 Å²	42	2%	0.015	23%	0.227	C	C	.	.			trans	-121.5	120.8	-170.5	-55.1	170.4	0	0	0	109.3	Y43 V45 A50 I79 S82 D83 S87 K135	Y43-I85 WeakPolarHBondContact OH-CD1 3.24Å; V45-I85 HydrophobicContact CG2-CD1 4.4Å; A50-I85 HydrophobicContact CB-CD1 4.32Å; A50-I85 HydrophobicContact CB-CG2 3.85Å; I79-I85 HydrophobicContact CG1-CD1 4.39Å; I79-I85 HydrophobicContact CG2-CG2 4.27Å; S82-I85 PolarHBondContact O-N 2.94Å; S82-I85 VanDerWaalsContact O-N 3.14Å; D83-I85 PolarHBondContact O-N 2.81Å; I85-S87 WeakPolarHBondContact CG2-O 3.44Å; I85-K135 VanDerWaalsContact O-CD 3.24Å; I85-K135 WeakPolarHBondContact O-CD 3.3Å; I85-K135 WeakPolarHBondContact O-CE 3.41Å; I85-K135 PolarHBondContact O-NZ 3.48Å
86	R	97.4	Very high	95.4	Very high	113 Å²	113	42.8 Å²	42.8	43%	0.426	23%	0.234	S	C	.	.	S	Bend	trans	-102	-20.4	-179.9	-63.5	176.5	70.4	-122.7	6.4	113	D48 P136 A252 D253	D48-R86 HydrophobicContact CB-CB 4.24Å; D48-R86 HydrophobicContact CB-CG 4.19Å; D48-R86 PolarHBondContact O-N 2.69Å; D48-R86 IonicContact OD2-NH1 2.68Å; D48-R86 PolarHBondContact OD2-NH1 3.37Å; R86-P136 WeakPolarHBondContact O-CD 3.24Å; R86-A252 HydrophobicContact CB-CB 4.22Å; R86-D253 IonicContact CZ-OD1 2.88Å; R86-D253 IonicContact NH1-OD1 3.07Å; R86-D253 PolarHBondContact NH1-OD1 2.99Å; R86-D253 IonicContact NH2-OD1 3.41Å; R86-D253 PolarHBondContact NH2-OD1 3.27Å
87	S	97.8	Very high	95.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	172.3	175.8	55.5	0	0	0	0	112.5	D48 V49 A50 I85 P136 A248	D48-S87 PolarHBondContact O-N 2.69Å; V49-S87 WeakPolarHBondContact CA-O 3.47Å; A50-S87 PolarHBondContact N-O 2.88Å; I85-S87 WeakPolarHBondContact CG2-O 3.44Å; S87-P136 CarbonylContact C-O 3.6Å; S87-P136 WeakPolarHBondContact CA-O 3.46Å; S87-P136 VanDerWaalsContact CB-O 3.26Å; S87-P136 WeakPolarHBondContact CB-O 3.48Å; S87-A248 PolarHBondContact OG-O 2.86Å
88	A	98.3	Very high	95.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.7	179.3	0	0	0	0	0	113.6	A50 I79 P136 V137 V138	A50-A88 HydrophobicContact CB-CB 3.99Å; A50-A88 CarbonylContact O-C 3.59Å; A50-A88 VanDerWaalsContact O-CA 3.3Å; A50-A88 WeakPolarHBondContact O-CA 3.45Å; I79-A88 HydrophobicContact CG2-CB 4.09Å; A88-P136 PolarHBondContact N-O 2.98Å; A88-V137 HydrophobicContact CB-CG1 4.26Å; A88-V137 HydrophobicContact CB-CG2 4.27Å; A88-V137 WeakPolarHBondContact O-CA 3.4Å; A88-V138 PolarHBondContact O-N 3.44Å
89	V	98.5	Very high	95.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.6	170.9	175.6	0	0	0	0	108.7	V49 A50 V52 I91 V138 A140 A244 I245 A248	V49-V89 HydrophobicContact CG1-CG2 4.1Å; A50-V89 PolarHBondContact O-N 3.23Å; V52-V89 PolarHBondContact N-O 3.3Å; V89-I91 HydrophobicContact CG1-CB 4.42Å; V89-V138 CarbonylContact C-O 3.58Å; V89-V138 WeakPolarHBondContact CA-O 3.35Å; V89-V138 HydrophobicContact CG2-CB 4.42Å; V89-A140 HydrophobicContact CG1-CB 3.97Å; V89-A244 HydrophobicContact CB-CB 4.44Å; V89-A244 HydrophobicContact CG1-CB 3.61Å; V89-A244 HydrophobicContact CG2-CB 3.91Å; V89-I245 HydrophobicContact CG2-CG1 4.06Å; V89-A248 HydrophobicContact CG2-CB 4.01Å
90	L	98.1	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.1	168.7	-48.4	-175.9	0	0	0	108.4	V52 F72 M76 L130 V137 V138 A140 L152	V52-L90 HydrophobicContact CB-CD2 3.59Å; V52-L90 HydrophobicContact CG1-CD2 4.14Å; V52-L90 HydrophobicContact CG2-CD2 3.67Å; F72-L90 HydrophobicContact CE2-CD1 3.94Å; F72-L90 HydrophobicContact CE2-CD2 4.06Å; F72-L90 HydrophobicContact CZ-CD1 4Å; M76-L90 HydrophobicContact SD-CD2 4.15Å; L90-L130 HydrophobicContact CD1-CD2 4.18Å; L90-V137 HydrophobicContact CD1-CG1 3.96Å; L90-V137 HydrophobicContact CD2-CG1 4.05Å; L90-V137 HydrophobicContact CG-CG1 3.61Å; L90-V138 PolarHBondContact N-O 3.49Å; L90-A140 WeakPolarHBondContact O-CB 3.32Å; L90-A140 PolarHBondContact O-N 3.39Å; L90-L152 HydrophobicContact CD1-CD2 3.9Å
91	I	97.8	Very high	94.5	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.7	179.4	-163.7	167.2	0	0	0	110.5	V51 V52 R53 I54 V89 A140 L240 E241	V51-I91 HydrophobicContact CG1-CG2 4.12Å; V52-I91 PolarHBondContact O-N 3.22Å; R53-I91 CarbonylContact C-O 3.44Å; R53-I91 WeakPolarHBondContact CA-O 3.37Å; R53-I91 HydrophobicContact CG-CG2 3.83Å; I54-I91 PolarHBondContact N-O 2.84Å; V89-I91 HydrophobicContact CG1-CB 4.42Å; I91-A140 HydrophobicContact CB-CB 3.8Å; I91-A140 HydrophobicContact CD1-CB 3.93Å; I91-A140 HydrophobicContact CG1-CB 3.73Å; I91-L240 HydrophobicContact CD1-CB 4.43Å; I91-L240 HydrophobicContact CD1-CD2 4.21Å; I91-L240 HydrophobicContact CD1-CG 4.33Å; I91-E241 HydrophobicContact CD1-CB 3.78Å; I91-E241 HydrophobicContact CD1-CG 4.23Å
92	S	96.1	Very high	93.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.6	167.6	174.4	0	0	0	0	110.6	I54 N62 K94 C97	I54-S92 WeakPolarHBondContact O-CA 3.35Å; I54-S92 PolarHBondContact O-OG 2.91Å; N62-S92 PolarHBondContact ND2-OG 2.86Å; S92-K94 VanDerWaalsContact C-N 3.32Å; S92-K94 PolarHBondContact OG-N 2.89Å; S92-K94 PolarHBondContact OG-O 3.48Å; S92-C97 WeakPolarHBondContact CB-O 3.4Å; S92-C97 PolarHBondContact OG-O 2.79Å
93	S	93.6	Very high	93.2	Very high	55 Å²	55	33.8 Å²	33.8	39%	0.385	19%	0.189	S	C	.	.			trans	-90.2	2.2	167.3	-64.1	0	0	0	0	112.9	I54	I54-S93 PolarHBondContact O-N 2.91Å
94	K	92.3	Very high	92.6	Very high	21 Å²	21	27.5 Å²	27.5	9%	0.091	16%	0.156	C	C	.	.	S	Bend	trans	-95.7	120.7	-179.9	-161.5	177.1	-64	-69.6	0	110.1	N55 S56 S59 N62 S92 C97	N55-K94 WeakPolarHBondContact OD1-CE 3.29Å; N55-K94 PolarHBondContact OD1-NZ 2.82Å; S56-K94 VanDerWaalsContact O-CE 3.32Å; S56-K94 WeakPolarHBondContact O-CE 3.26Å; S56-K94 PolarHBondContact O-NZ 3.36Å; S59-K94 VanDerWaalsContact O-CE 3.31Å; S59-K94 WeakPolarHBondContact O-CE 3.33Å; S59-K94 PolarHBondContact O-NZ 3.32Å; N62-K94 WeakPolarHBondContact OD1-CE 3.19Å; S92-K94 VanDerWaalsContact C-N 3.32Å; S92-K94 PolarHBondContact OG-N 2.89Å; S92-K94 PolarHBondContact OG-O 3.48Å; K94-C97 PolarHBondContact O-N 2.9Å; K94-C97 VanDerWaalsContact O-O 3.05Å
95	P	89.7	Confident	92	Very high	74 Å²	74	24.6 Å²	24.6	48%	0.481	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	142.6	-177.3	24.6	-33.9	0	0	0	111.9	C97 E233 M237	P95-C97 PolarHBondContact O-N 2.92Å; P95-C97 VanDerWaalsContact O-N 3.15Å; P95-E233 HydrophobicContact CB-CG 3.93Å; P95-M237 HydrophobicContact CB-CE 4.35Å
96	G	84.3	Confident	91.4	Very high	15 Å²	15	26.4 Å²	26.4	16%	0.155	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	0.7	179	0	0	0	0	0	117.3	G143 S144 E233	G96-G143 WeakPolarHBondContact O-CA 3.32Å; G96-S144 PolarHBondContact O-N 2.68Å; G96-E233 PolarHBondContact N-OE1 3.43Å; G96-E233 VanDerWaalsContact N-OE1 3.13Å
97	C	93.3	Very high	90.6	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.02	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	125.6	-179.3	-179.9	0	0	0	0	112.8	V61 S92 K94 P95 N142	V61-C97 HydrophobicContact CG1-CB 4.23Å; S92-C97 WeakPolarHBondContact CB-O 3.4Å; S92-C97 PolarHBondContact OG-O 2.79Å; K94-C97 PolarHBondContact O-N 2.9Å; K94-C97 VanDerWaalsContact O-O 3.05Å; P95-C97 PolarHBondContact O-N 2.92Å; P95-C97 VanDerWaalsContact O-N 3.15Å; C97-N142 CarbonylContact C-O 3.52Å; C97-N142 VanDerWaalsContact C-O 3.25Å
98	F	96.2	Very high	89.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-70.2	168.1	-179.6	-105.7	0	0	0	109.1	N62 A140 I141 N142 S144 C145 L152 A153	N62-F98 VanDerWaalsContact CB-O 3.32Å; N62-F98 WeakPolarHBondContact CB-O 3.5Å; N62-F98 PolarHBondContact ND2-O 2.84Å; F98-A140 WeakPolarHBondContact CD2-O 3.38Å; F98-A140 WeakPolarHBondContact CE2-O 3.48Å; F98-I141 HydrophobicContact CB-CG2 4.16Å; F98-I141 HydrophobicContact CG-CG2 4.32Å; F98-N142 PolarHBondContact N-O 3.31Å; F98-S144 PolarHBondContact N-O 2.84Å; F98-C145 HydrophobicContact CB-CB 4.16Å; F98-C145 HydrophobicContact CD1-CB 4.21Å; F98-L152 HydrophobicContact CE1-CD2 4.06Å; F98-L152 HydrophobicContact CZ-CD2 4.05Å; F98-A153 HydrophobicContact CE1-CB 4.47Å
99	I	95.4	Very high	89	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	131.8	173.7	-58.4	176.7	0	0	0	107.2	I54 N62 L64 S144 C145 L146 G149 L152	I54-I99 HydrophobicContact CD1-CD1 3.83Å; I54-I99 HydrophobicContact CD1-CG1 4.24Å; N62-I99 HydrophobicContact CB-CG1 4.44Å; L64-I99 HydrophobicContact CD2-CD1 4.13Å; L64-I99 HydrophobicContact CD2-CG2 4.11Å; L64-I99 HydrophobicContact CG-CG2 3.99Å; I99-S144 PolarHBondContact N-O 2.7Å; I99-S144 VanDerWaalsContact O-O 3.13Å; I99-C145 CarbonylContact O-C 3.58Å; I99-C145 VanDerWaalsContact O-CA 3.29Å; I99-C145 WeakPolarHBondContact O-CA 3.03Å; I99-L146 PolarHBondContact O-N 3.35Å; I99-G149 VanDerWaalsContact CG2-CA 3.47Å; I99-L152 HydrophobicContact CD1-CD1 4.28Å; I99-L152 HydrophobicContact CD1-CD2 4.22Å
100	A	89.3	Confident	88.3	Confident	32 Å²	32	28.6 Å²	28.6	26%	0.264	19%	0.189	S	C	.	.			trans	-92.3	-11.3	-175.1	0	0	0	0	0	114.9	V61 N62 L146	V61-A100 HydrophobicContact CB-CB 3.95Å; V61-A100 HydrophobicContact CG1-CB 4.44Å; V61-A100 HydrophobicContact CG2-CB 4.07Å; N62-A100 PolarHBondContact O-N 3.44Å; A100-L146 CarbonylContact C-O 3.47Å; A100-L146 WeakPolarHBondContact O-CB 3.47Å
101	G	85.7	Confident	87.5	Confident	7 Å²	7	37.1 Å²	37.1	7%	0.072	23%	0.227	C	C	.	.			trans	138.3	-169	179.9	0	0	0	0	0	112.3	T63 L64 L146	T63-G101 WeakPolarHBondContact CA-O 3.3Å; L64-G101 PolarHBondContact N-O 3.01Å; G101-L146 VanDerWaalsContact CA-O 3.31Å; G101-L146 WeakPolarHBondContact CA-O 3.28Å; G101-L146 PolarHBondContact N-O 3.13Å
102	A	83.1	Confident	87.2	Confident	37 Å²	37	40.5 Å²	40.5	31%	0.306	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-70.1	155.8	166.2	0	0	0	0	0	111.4	I104 L107	A102-I104 PolarHBondContact O-N 3.38Å; A102-L107 HydrophobicContact CB-CD1 4.42Å
103	D	82.1	Confident	87	Confident	35 Å²	35	44.2 Å²	44.2	19%	0.187	27%	0.267	C	S	.	.			trans	-71.8	118.6	172.4	-161.3	-58.9	0	0	0	111.2	L64 N105 M106 L107	L64-D103 PolarHBondContact O-N 3.5Å; L64-D103 VanDerWaalsContact O-N 3.09Å; D103-N105 VanDerWaalsContact C-N 3.3Å; D103-N105 PolarHBondContact O-N 3.03Å; D103-N105 WeakPolarHBondContact OD1-CA 3.49Å; D103-N105 WeakPolarHBondContact OD1-CB 3.34Å; D103-N105 PolarHBondContact OD1-N 3.17Å; D103-N105 PolarHBondContact OD1-ND2 2.69Å; D103-M106 HydrophobicContact CB-CB 3.99Å; D103-M106 WeakPolarHBondContact O-CB 3.34Å; D103-M106 PolarHBondContact O-N 2.93Å; D103-M106 PolarHBondContact OD1-N 3Å; D103-L107 PolarHBondContact O-N 3.48Å
104	I	83.4	Confident	86.9	Confident	18 Å²	18	48.5 Å²	48.5	9%	0.092	28%	0.281	C	S	.	.	H	α-helix	trans	-73.4	-24.9	-177	-57.2	168.2	0	0	0	111.1	A102 L107 S108 L176 M340 Y343 H344	A102-I104 PolarHBondContact O-N 3.38Å; I104-L107 PolarHBondContact O-N 3.03Å; I104-S108 WeakPolarHBondContact O-CB 3.44Å; I104-S108 PolarHBondContact O-N 2.78Å; I104-S108 PolarHBondContact O-OG 3.02Å; I104-L176 HydrophobicContact CD1-CD1 3.66Å; I104-L176 HydrophobicContact CD1-CD2 4.21Å; I104-L176 HydrophobicContact CG1-CD1 3.95Å; I104-M340 HydrophobicContact CG2-CB 4.29Å; I104-M340 HydrophobicContact CG2-CG 4Å; I104-M340 HydrophobicContact CG2-SD 4.09Å; I104-Y343 HydrophobicContact CD1-CD1 3.55Å; I104-Y343 HydrophobicContact CD1-CD2 4.41Å; I104-Y343 HydrophobicContact CD1-CE1 3.38Å; I104-Y343 HydrophobicContact CD1-CE2 4.25Å; I104-Y343 HydrophobicContact CD1-CG 4.09Å; I104-H344 WeakPolarHBondContact CG2-NE2 3.49Å
105	N	83.3	Confident	86.8	Confident	99 Å²	99	50.4 Å²	50.4	53%	0.529	29%	0.29	S	S	.	.	H	α-helix	trans	-69	-39	173.2	-43.5	-77.5	0	0	0	110	D103 S108 A109 H344	D103-N105 VanDerWaalsContact C-N 3.3Å; D103-N105 PolarHBondContact O-N 3.03Å; D103-N105 WeakPolarHBondContact OD1-CA 3.49Å; D103-N105 WeakPolarHBondContact OD1-CB 3.34Å; D103-N105 PolarHBondContact OD1-N 3.17Å; D103-N105 PolarHBondContact OD1-ND2 2.69Å; N105-S108 PolarHBondContact O-N 3.05Å; N105-A109 WeakPolarHBondContact O-CB 3.17Å; N105-A109 PolarHBondContact O-N 2.93Å; N105-H344 PolarHBondContact OD1-CE1 2.94Å
106	M	83.2	Confident	86.9	Confident	41 Å²	41	46.9 Å²	46.9	20%	0.202	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-45.9	172.6	179	-169.6	70.1	0	0	111.4	K66 D103 S108 A109 C110	K66-M106 HydrophobicContact CD-SD 4.36Å; K66-M106 HydrophobicContact CG-CG 4.35Å; K66-M106 HydrophobicContact CG-SD 3.53Å; K66-M106 VanDerWaalsContact CG-SD 3.53Å; D103-M106 HydrophobicContact CB-CB 3.99Å; D103-M106 WeakPolarHBondContact O-CB 3.34Å; D103-M106 PolarHBondContact O-N 2.93Å; D103-M106 PolarHBondContact OD1-N 3Å; M106-S108 VanDerWaalsContact C-N 3.34Å; M106-A109 PolarHBondContact O-N 3.2Å; M106-C110 PolarHBondContact O-N 2.97Å; M106-C110 PolarHBondContact O-SG 3.41Å
107	L	81.6	Confident	87.4	Confident	13 Å²	13	47 Å²	47	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-38.1	176.9	-65.9	177.2	0	0	0	112.3	A102 D103 I104 A109 C110 F327 V331 M340	A102-L107 HydrophobicContact CB-CD1 4.42Å; D103-L107 PolarHBondContact O-N 3.48Å; I104-L107 PolarHBondContact O-N 3.03Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.29Å; L107-C110 PolarHBondContact O-N 2.91Å; L107-F327 HydrophobicContact CD1-CZ 4.34Å; L107-F327 HydrophobicContact CD2-CE1 4.15Å; L107-F327 HydrophobicContact CD2-CZ 3.93Å; L107-V331 HydrophobicContact CB-CG1 4.46Å; L107-M340 HydrophobicContact CB-CE 4.2Å; L107-M340 HydrophobicContact CD1-CE 4.2Å
108	S	80.1	Confident	87.4	Confident	68 Å²	68	51.3 Å²	51.3	48%	0.476	29%	0.285	S	S	.	.	H	α-helix	trans	-70.4	-26.8	177.7	-59.2	0	0	0	0	113.3	I104 N105 M106	I104-S108 WeakPolarHBondContact O-CB 3.44Å; I104-S108 PolarHBondContact O-N 2.78Å; I104-S108 PolarHBondContact O-OG 3.02Å; N105-S108 PolarHBondContact O-N 3.05Å; M106-S108 VanDerWaalsContact C-N 3.34Å
109	A	83.1	Confident	87.1	Confident	67 Å²	67	52.9 Å²	52.9	55%	0.554	29%	0.293	S	S	*	.	H	α-helix	trans	-80.1	-17.1	177.4	0	0	0	0	0	113.8	N105 M106 L107 K111	N105-A109 WeakPolarHBondContact O-CB 3.17Å; N105-A109 PolarHBondContact O-N 2.93Å; M106-A109 PolarHBondContact O-N 3.2Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.29Å; A109-K111 PolarHBondContact O-N 3.43Å
110	C	82.1	Confident	87.1	Confident	10 Å²	10	53 Å²	53	7%	0.068	29%	0.294	C	S	.	.			trans	-67.7	130.6	179.9	-65.5	0	0	0	0	110.9	M106 L107 E115 V116	M106-C110 PolarHBondContact O-N 2.97Å; M106-C110 PolarHBondContact O-SG 3.41Å; L107-C110 PolarHBondContact O-N 2.91Å; C110-E115 VanDerWaalsContact CA-OE2 3.29Å; C110-E115 WeakPolarHBondContact CA-OE2 3.36Å; C110-E115 HydrophobicContact CB-CG 4.3Å; C110-V116 HydrophobicContact CB-CG2 3.42Å; C110-V116 VanDerWaalsContact CB-CG2 3.42Å
111	K	82.4	Confident	87.5	Confident	180 Å²	180	53.8 Å²	53.8	78%	0.783	29%	0.292	S	S	*	.			trans	-100.4	-19.7	-171.1	-66.1	-177	-179.1	177.3	0	114	A109 E115 M332	A109-K111 PolarHBondContact O-N 3.43Å; K111-E115 PolarHBondContact N-OE2 2.92Å; K111-M332 WeakPolarHBondContact O-CE 3.49Å
112	T	90.6	Very high	87.8	Confident	74 Å²	74	56.4 Å²	56.4	45%	0.454	30%	0.302	S	S	.	.	S	Bend	trans	-129.9	152.2	-175.2	73	0	0	0	0	112.2	Q114 E115 V116	T112-Q114 PolarHBondContact O-N 3.5Å; T112-E115 PolarHBondContact O-N 3.4Å; T112-E115 VanDerWaalsContact OG1-CB 3.31Å; T112-E115 WeakPolarHBondContact OG1-CB 3.29Å; T112-E115 PolarHBondContact OG1-N 3.33Å; T112-E115 VanDerWaalsContact OG1-N 3.09Å; T112-V116 PolarHBondContact O-N 3.44Å
113	L	91.8	Very high	88.3	Confident	78 Å²	78	55.8 Å²	55.8	41%	0.408	30%	0.297	S	S	.	.	H	α-helix	trans	-59.6	-36.7	173.8	-177.7	153.6	0	0	0	111.8	V116 T117 E329 M332	L113-V116 PolarHBondContact O-N 2.99Å; L113-T117 WeakPolarHBondContact O-CB 3.44Å; L113-T117 PolarHBondContact O-N 3.34Å; L113-T117 PolarHBondContact O-OG1 2.86Å; L113-E329 HydrophobicContact CD1-CB 4.16Å; L113-E329 HydrophobicContact CD1-CG 4.22Å; L113-M332 HydrophobicContact CB-CG 4.2Å
114	Q	91.3	Very high	89	Confident	146 Å²	146	54.8 Å²	54.8	68%	0.682	29%	0.291	S	S	*	.	H	α-helix	trans	-68.5	-40.4	-179.1	-174.5	172.5	-6.6	0	0	112	T112 V116 T117 Q118	T112-Q114 PolarHBondContact O-N 3.5Å; Q114-V116 PolarHBondContact O-N 2.9Å; Q114-T117 PolarHBondContact O-N 3.36Å; Q114-Q118 VanDerWaalsContact O-CB 3.29Å; Q114-Q118 WeakPolarHBondContact O-CB 3.32Å; Q114-Q118 PolarHBondContact O-N 3.42Å
115	E	91.4	Very high	89.6	Confident	60 Å²	60	59.7 Å²	59.7	28%	0.28	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-49.2	174.2	-179.2	-177.6	-170.1	0	0	111.4	K66 C110 K111 T112 Q118 L119	K66-E115 IonicContact NZ-OE1 3.15Å; C110-E115 VanDerWaalsContact CA-OE2 3.29Å; C110-E115 WeakPolarHBondContact CA-OE2 3.36Å; C110-E115 HydrophobicContact CB-CG 4.3Å; K111-E115 PolarHBondContact N-OE2 2.92Å; T112-E115 PolarHBondContact O-N 3.4Å; T112-E115 VanDerWaalsContact OG1-CB 3.31Å; T112-E115 WeakPolarHBondContact OG1-CB 3.29Å; T112-E115 PolarHBondContact OG1-N 3.33Å; T112-E115 VanDerWaalsContact OG1-N 3.09Å; E115-Q118 PolarHBondContact O-N 3.07Å; E115-L119 WeakPolarHBondContact O-CG 3.21Å; E115-L119 PolarHBondContact O-N 3.05Å
116	V	91.7	Very high	90.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-39.6	179.8	-174.4	0	0	0	0	111.8	C110 T112 L113 Q114 Q118 L119 S120 F327 V331	C110-V116 HydrophobicContact CB-CG2 3.42Å; C110-V116 VanDerWaalsContact CB-CG2 3.42Å; T112-V116 PolarHBondContact O-N 3.44Å; L113-V116 PolarHBondContact O-N 2.99Å; Q114-V116 PolarHBondContact O-N 2.9Å; V116-Q118 VanDerWaalsContact C-N 3.34Å; V116-L119 PolarHBondContact O-N 2.85Å; V116-S120 PolarHBondContact O-N 2.71Å; V116-F327 HydrophobicContact CG1-CD1 3.64Å; V116-F327 HydrophobicContact CG1-CE1 3.49Å; V116-F327 VanDerWaalsContact CG1-CE1 3.49Å; V116-F327 HydrophobicContact CG1-CZ 4.47Å; V116-V331 HydrophobicContact CG1-CB 3.96Å; V116-V331 HydrophobicContact CG1-CG1 4.25Å; V116-V331 HydrophobicContact CG1-CG2 3.93Å; V116-V331 HydrophobicContact CG2-CG1 4.19Å
117	T	94.6	Very high	90.8	Very high	18 Å²	18	54.3 Å²	54.3	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-42.1	174.7	-58.8	0	0	0	0	111.2	L113 Q114 S120 Q121	L113-T117 WeakPolarHBondContact O-CB 3.44Å; L113-T117 PolarHBondContact O-N 3.34Å; L113-T117 PolarHBondContact O-OG1 2.86Å; Q114-T117 PolarHBondContact O-N 3.36Å; T117-S120 WeakPolarHBondContact O-CB 3.4Å; T117-S120 PolarHBondContact O-N 3.46Å; T117-Q121 WeakPolarHBondContact O-CG 3.49Å; T117-Q121 PolarHBondContact O-N 2.99Å
118	Q	92.9	Very high	91.5	Very high	93 Å²	93	56.5 Å²	56.5	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-64	-45.9	178.3	176.2	173.2	-9.9	0	0	111.9	Q114 E115 V116 S120 Q121 E122	Q114-Q118 VanDerWaalsContact O-CB 3.29Å; Q114-Q118 WeakPolarHBondContact O-CB 3.32Å; Q114-Q118 PolarHBondContact O-N 3.42Å; E115-Q118 PolarHBondContact O-N 3.07Å; V116-Q118 VanDerWaalsContact C-N 3.34Å; Q118-S120 VanDerWaalsContact C-N 3.26Å; Q118-S120 PolarHBondContact O-N 2.97Å; Q118-Q121 PolarHBondContact O-N 3.4Å; Q118-Q121 VanDerWaalsContact O-N 3.09Å; Q118-E122 HydrophobicContact CG-CG 4.37Å; Q118-E122 VanDerWaalsContact CG-OE1 3.24Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.21Å; Q118-E122 PolarHBondContact NE2-OE1 2.8Å; Q118-E122 WeakPolarHBondContact O-CG 3.46Å; Q118-E122 PolarHBondContact O-N 3.04Å
119	L	91.1	Very high	92.3	Very high	34 Å²	34	58.4 Å²	58.4	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-38.5	176.4	-70.2	171.4	0	0	0	112.1	E115 V116 A123	E115-L119 WeakPolarHBondContact O-CG 3.21Å; E115-L119 PolarHBondContact O-N 3.05Å; V116-L119 PolarHBondContact O-N 2.85Å; L119-A123 WeakPolarHBondContact O-CB 3.27Å; L119-A123 PolarHBondContact O-N 2.92Å
120	S	95.3	Very high	93	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-47.9	172.9	170.4	0	0	0	0	111.9	V116 T117 Q118 E122 A123 Q124 G181 S324	V116-S120 PolarHBondContact O-N 2.71Å; T117-S120 WeakPolarHBondContact O-CB 3.4Å; T117-S120 PolarHBondContact O-N 3.46Å; Q118-S120 VanDerWaalsContact C-N 3.26Å; Q118-S120 PolarHBondContact O-N 2.97Å; S120-E122 VanDerWaalsContact C-N 3.31Å; S120-E122 PolarHBondContact O-N 2.88Å; S120-A123 PolarHBondContact O-N 3.22Å; S120-Q124 WeakPolarHBondContact O-CB 3.31Å; S120-Q124 VanDerWaalsContact O-CG 3.27Å; S120-Q124 WeakPolarHBondContact O-CG 3.32Å; S120-Q124 PolarHBondContact O-N 3.05Å; S120-G181 WeakPolarHBondContact CA-O 3.33Å; S120-G181 WeakPolarHBondContact CB-O 3.08Å; S120-G181 PolarHBondContact OG-O 2.85Å; S120-S324 VanDerWaalsContact OG-CA 3.25Å; S120-S324 WeakPolarHBondContact OG-CA 2.98Å; S120-S324 VanDerWaalsContact OG-CB 3.31Å; S120-S324 WeakPolarHBondContact OG-CB 3.43Å
121	Q	95.8	Very high	93.6	Very high	48 Å²	48	58.2 Å²	58.2	22%	0.224	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-36.3	178.2	-67.6	-179.6	4.7	0	0	112.9	T117 Q118 Q124 R125 S324	T117-Q121 WeakPolarHBondContact O-CG 3.49Å; T117-Q121 PolarHBondContact O-N 2.99Å; Q118-Q121 PolarHBondContact O-N 3.4Å; Q118-Q121 VanDerWaalsContact O-N 3.09Å; Q121-Q124 PolarHBondContact O-N 3.42Å; Q121-R125 WeakPolarHBondContact O-CB 3.22Å; Q121-R125 WeakPolarHBondContact O-CD 3.21Å; Q121-R125 WeakPolarHBondContact O-CG 3.42Å; Q121-R125 PolarHBondContact O-N 3.35Å; Q121-S324 WeakPolarHBondContact CG-OG 3.41Å; Q121-S324 PolarHBondContact NE2-OG 2.66Å
122	E	92.6	Very high	94.3	Very high	62 Å²	62	56.6 Å²	56.6	29%	0.29	27%	0.27	S	S	.	.	H	α-helix	trans	-66.9	-44.1	176.6	-72.7	168.5	178.8	0	0	111.4	Q118 S120 R125 I126	Q118-E122 HydrophobicContact CG-CG 4.37Å; Q118-E122 VanDerWaalsContact CG-OE1 3.24Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.21Å; Q118-E122 PolarHBondContact NE2-OE1 2.8Å; Q118-E122 WeakPolarHBondContact O-CG 3.46Å; Q118-E122 PolarHBondContact O-N 3.04Å; S120-E122 VanDerWaalsContact C-N 3.31Å; S120-E122 PolarHBondContact O-N 2.88Å; E122-R125 PolarHBondContact O-N 2.83Å; E122-I126 PolarHBondContact O-N 2.86Å
123	A	93.6	Very high	94.5	Very high	24 Å²	24	53.8 Å²	53.8	20%	0.198	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-47.3	171.5	0	0	0	0	0	112.2	L119 S120 R125 I126 L127 A182	L119-A123 WeakPolarHBondContact O-CB 3.27Å; L119-A123 PolarHBondContact O-N 2.92Å; S120-A123 PolarHBondContact O-N 3.22Å; A123-R125 PolarHBondContact O-N 2.97Å; A123-I126 PolarHBondContact O-N 2.88Å; A123-L127 WeakPolarHBondContact O-CG 3.32Å; A123-L127 PolarHBondContact O-N 3.47Å; A123-A182 HydrophobicContact CB-CB 3.79Å
124	Q	97.1	Very high	94.6	Very high	14 Å²	14	55.4 Å²	55.4	7%	0.065	27%	0.268	C	S	.	.	H	α-helix	trans	-55.7	-49	176.8	-75.1	174.1	-11.9	0	0	112	S120 Q121 I126 L127 E128 Y320 E323	S120-Q124 WeakPolarHBondContact O-CB 3.31Å; S120-Q124 VanDerWaalsContact O-CG 3.27Å; S120-Q124 WeakPolarHBondContact O-CG 3.32Å; S120-Q124 PolarHBondContact O-N 3.05Å; Q121-Q124 PolarHBondContact O-N 3.42Å; Q124-I126 PolarHBondContact O-N 2.73Å; Q124-L127 PolarHBondContact O-N 3.46Å; Q124-E128 WeakPolarHBondContact O-CB 3.5Å; Q124-E128 PolarHBondContact O-N 2.58Å; Q124-Y320 HydrophobicContact CG-CD1 4.39Å; Q124-Y320 PolarHBondContact NE2-O 3.06Å; Q124-Y320 PolarHBondContact OE1-O 3Å; Q124-E323 PolarHBondContact NE2-OE1 3.01Å
125	R	96.3	Very high	94.9	Very high	121 Å²	121	49.6 Å²	49.6	46%	0.457	24%	0.241	S	C	.	.	H	α-helix	trans	-58	-43.3	-179.6	-72.3	161.2	-166	149.3	6.5	112.4	Q121 E122 A123 E128 K129	Q121-R125 WeakPolarHBondContact O-CB 3.22Å; Q121-R125 WeakPolarHBondContact O-CD 3.21Å; Q121-R125 WeakPolarHBondContact O-CG 3.42Å; Q121-R125 PolarHBondContact O-N 3.35Å; E122-R125 PolarHBondContact O-N 2.83Å; A123-R125 PolarHBondContact O-N 2.97Å; R125-E128 PolarHBondContact O-N 3.11Å; R125-K129 WeakPolarHBondContact O-CG 3.41Å; R125-K129 PolarHBondContact O-N 2.97Å
126	I	94.4	Very high	95.1	Very high	16 Å²	16	48 Å²	48	8%	0.082	24%	0.235	C	C	.	.	H	α-helix	trans	-70.7	-40.5	179.6	-64.2	-56	0	0	0	111.3	F72 T73 E122 A123 Q124 E128 K129 L130	F72-I126 HydrophobicContact CD1-CG2 4.07Å; F72-I126 HydrophobicContact CE1-CG2 3.92Å; T73-I126 HydrophobicContact CG2-CD1 3.71Å; E122-I126 PolarHBondContact O-N 2.86Å; A123-I126 PolarHBondContact O-N 2.88Å; Q124-I126 PolarHBondContact O-N 2.73Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 2.98Å; I126-K129 HydrophobicContact CD1-CD 4.35Å; I126-K129 PolarHBondContact O-N 3.03Å; I126-L130 PolarHBondContact O-N 3.37Å
127	L	96.8	Very high	95.4	Very high	11 Å²	11	48 Å²	48	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-72.3	-25.7	176	-62.6	-165.5	0	0	0	113	A123 Q124 L130 E131 E151 L152 S155 A182 R187	A123-L127 WeakPolarHBondContact O-CG 3.32Å; A123-L127 PolarHBondContact O-N 3.47Å; Q124-L127 PolarHBondContact O-N 3.46Å; L127-L130 HydrophobicContact CD2-CD2 4.18Å; L127-L130 WeakPolarHBondContact O-CB 3.16Å; L127-L130 PolarHBondContact O-N 3.06Å; L127-E131 WeakPolarHBondContact O-CB 3.38Å; L127-E131 PolarHBondContact O-N 3.38Å; L127-E151 HydrophobicContact CD1-CB 4.09Å; L127-L152 HydrophobicContact CD1-CB 4.27Å; L127-L152 HydrophobicContact CD2-CB 3.98Å; L127-L152 HydrophobicContact CD2-CD1 4.16Å; L127-L152 HydrophobicContact CD2-CG 4.03Å; L127-S155 VanDerWaalsContact O-CB 3.25Å; L127-S155 WeakPolarHBondContact O-CB 3.46Å; L127-A182 HydrophobicContact CD1-CB 3.77Å; L127-R187 PolarHBondContact O-NH2 2.83Å
128	E	97	Very high	95.6	Very high	59 Å²	59	47.1 Å²	47.1	28%	0.276	23%	0.23	S	C	.	.	H	α-helix	trans	-71	-41.2	170.7	-167.5	-169.7	174.8	0	0	112.1	Q124 R125 I126 L130 E131 K132	Q124-E128 WeakPolarHBondContact O-CB 3.5Å; Q124-E128 PolarHBondContact O-N 2.58Å; R125-E128 PolarHBondContact O-N 3.11Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 2.98Å; E128-L130 PolarHBondContact O-N 3.27Å; E128-E131 PolarHBondContact O-N 3.26Å; E128-K132 HydrophobicContact CG-CD 4.13Å; E128-K132 WeakPolarHBondContact O-CB 3.43Å; E128-K132 PolarHBondContact O-N 3.29Å; E128-K132 WeakPolarHBondContact OE1-CE 3.38Å; E128-K132 IonicContact OE1-NZ 2.79Å; E128-K132 PolarHBondContact OE1-NZ 2.76Å
129	K	96.8	Very high	95.9	Very high	108 Å²	108	42.7 Å²	42.7	47%	0.47	21%	0.21	S	C	.	.	H	α-helix	trans	-58.6	-37	168.7	-72.7	-179.9	178.1	-175.7	0	111.7	W80 R125 I126 K132 S133	W80-K129 HydrophobicContact CH2-CB 3.49Å; W80-K129 VanDerWaalsContact CH2-CB 3.49Å; W80-K129 HydrophobicContact CH2-CD 4.19Å; W80-K129 HydrophobicContact CZ2-CB 3.97Å; W80-K129 HydrophobicContact CZ3-CB 4.09Å; W80-K129 HydrophobicContact CZ3-CD 3.97Å; R125-K129 WeakPolarHBondContact O-CG 3.41Å; R125-K129 PolarHBondContact O-N 2.97Å; I126-K129 HydrophobicContact CD1-CD 4.35Å; I126-K129 PolarHBondContact O-N 3.03Å; K129-K132 CarbonylContact O-C 3.48Å; K129-S133 WeakPolarHBondContact O-CA 3.42Å; K129-S133 PolarHBondContact O-N 3.09Å
130	L	96.6	Very high	96.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-44	175.9	-165.2	63.9	0	0	0	111.9	F72 M76 W80 L90 I126 L127 E128 S133 V137 L152 Q157	F72-L130 HydrophobicContact CZ-CD2 4.29Å; M76-L130 HydrophobicContact CE-CD1 3.78Å; M76-L130 HydrophobicContact SD-CD1 4.4Å; W80-L130 HydrophobicContact CZ2-CD1 4.36Å; L90-L130 HydrophobicContact CD1-CD2 4.18Å; I126-L130 PolarHBondContact O-N 3.37Å; L127-L130 HydrophobicContact CD2-CD2 4.18Å; L127-L130 WeakPolarHBondContact O-CB 3.16Å; L127-L130 PolarHBondContact O-N 3.06Å; E128-L130 PolarHBondContact O-N 3.27Å; L130-S133 WeakPolarHBondContact O-CB 3.46Å; L130-S133 PolarHBondContact O-N 3.5Å; L130-V137 HydrophobicContact CD1-CB 4.18Å; L130-V137 HydrophobicContact CD1-CG1 4.17Å; L130-V137 HydrophobicContact CD1-CG2 3.83Å; L130-L152 HydrophobicContact CD2-CG 4.41Å; L130-Q157 PolarHBondContact O-NE2 3.03Å
131	E	96.3	Very high	96.4	Very high	74 Å²	74	40.9 Å²	40.9	35%	0.346	20%	0.2	S	C	.	.	H	α-helix	trans	-62.6	-42.6	175.5	-178.1	176.6	-171.9	0	0	112.3	L127 E128 S133 S155 Q157 R187 Y320	L127-E131 WeakPolarHBondContact O-CB 3.38Å; L127-E131 PolarHBondContact O-N 3.38Å; E128-E131 PolarHBondContact O-N 3.26Å; E131-S133 VanDerWaalsContact C-N 3.31Å; E131-S133 PolarHBondContact O-N 2.91Å; E131-S155 WeakPolarHBondContact CA-O 3.45Å; E131-S155 PolarHBondContact N-O 2.7Å; E131-Q157 PolarHBondContact O-NE2 2.86Å; E131-R187 IonicContact OE2-CZ 3.79Å; E131-R187 IonicContact OE2-NE 3.2Å; E131-R187 PolarHBondContact OE2-NE 3.37Å; E131-R187 IonicContact OE2-NH2 2.79Å; E131-R187 PolarHBondContact OE2-NH2 2.98Å; E131-Y320 PolarHBondContact OE2-OH 3.38Å
132	K	96.1	Very high	96.3	Very high	145 Å²	145	39 Å²	39	63%	0.63	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	14.1	178.1	-63.3	177.9	176.4	174.5	0	113.6	E128 K129	E128-K132 HydrophobicContact CG-CD 4.13Å; E128-K132 WeakPolarHBondContact O-CB 3.43Å; E128-K132 PolarHBondContact O-N 3.29Å; E128-K132 WeakPolarHBondContact OE1-CE 3.38Å; E128-K132 IonicContact OE1-NZ 2.79Å; E128-K132 PolarHBondContact OE1-NZ 2.76Å; K129-K132 CarbonylContact O-C 3.48Å
133	S	95.7	Very high	96.5	Very high	15 Å²	15	36 Å²	36	11%	0.105	18%	0.178	C	C	.	.			trans	-60.2	132.1	-174.3	179.4	0	0	0	0	112.6	W80 K129 L130 E131 K135	W80-S133 PolarHBondContact NE1-OG 3.18Å; K129-S133 WeakPolarHBondContact O-CA 3.42Å; K129-S133 PolarHBondContact O-N 3.09Å; L130-S133 WeakPolarHBondContact O-CB 3.46Å; L130-S133 PolarHBondContact O-N 3.5Å; E131-S133 VanDerWaalsContact C-N 3.31Å; E131-S133 PolarHBondContact O-N 2.91Å; S133-K135 WeakPolarHBondContact CB-O 3.41Å; S133-K135 PolarHBondContact O-N 3.03Å; S133-K135 PolarHBondContact OG-N 3.05Å; S133-K135 PolarHBondContact OG-O 2.88Å
134	P	93.4	Very high	96.6	Very high	112 Å²	112	36.5 Å²	36.5	73%	0.727	18%	0.179	S	C	*	.	S	Bend	trans	-70.8	-18.3	175.2	30.1	-35.6	0	0	0	112.9
135	K	96.8	Very high	96.7	Very high	24 Å²	24	35.9 Å²	35.9	10%	0.104	18%	0.176	C	C	.	.	S	Bend	trans	-110.5	120.5	178.8	-67.7	168.1	-178.8	176.9	0	108.2	I79 W80 S82 I85 S133 V137	I79-K135 VanDerWaalsContact O-CD 3.3Å; I79-K135 WeakPolarHBondContact O-CD 3.33Å; I79-K135 PolarHBondContact O-NZ 3.27Å; W80-K135 PolarHBondContact O-NZ 3.29Å; S82-K135 PolarHBondContact O-NZ 2.86Å; I85-K135 VanDerWaalsContact O-CD 3.24Å; I85-K135 WeakPolarHBondContact O-CD 3.3Å; I85-K135 WeakPolarHBondContact O-CE 3.41Å; I85-K135 PolarHBondContact O-NZ 3.48Å; S133-K135 WeakPolarHBondContact CB-O 3.41Å; S133-K135 PolarHBondContact O-N 3.03Å; S133-K135 PolarHBondContact OG-N 3.05Å; S133-K135 PolarHBondContact OG-O 2.88Å; K135-V137 WeakPolarHBondContact O-CG2 3.41Å; K135-V137 PolarHBondContact O-N 3.05Å
136	P	96.9	Very high	96.7	Very high	26 Å²	26	31.3 Å²	31.3	17%	0.169	16%	0.161	C	C	.	.			trans	-61.4	135.3	-176.1	-26.6	36.3	0	0	0	112.7	R86 S87 A88 L251	R86-P136 WeakPolarHBondContact O-CD 3.24Å; S87-P136 CarbonylContact C-O 3.6Å; S87-P136 WeakPolarHBondContact CA-O 3.46Å; S87-P136 VanDerWaalsContact CB-O 3.26Å; S87-P136 WeakPolarHBondContact CB-O 3.48Å; A88-P136 PolarHBondContact N-O 2.98Å; P136-L251 HydrophobicContact CB-CB 3.74Å; P136-L251 HydrophobicContact CG-CB 4.12Å
137	V	98.1	Very high	96.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130	-179.9	-168.8	0	0	0	0	111	M76 A88 L90 L130 K135 Q157 Y158	M76-V137 HydrophobicContact CE-CG2 4.4Å; A88-V137 HydrophobicContact CB-CG1 4.26Å; A88-V137 HydrophobicContact CB-CG2 4.27Å; A88-V137 WeakPolarHBondContact O-CA 3.4Å; L90-V137 HydrophobicContact CD1-CG1 3.96Å; L90-V137 HydrophobicContact CD2-CG1 4.05Å; L90-V137 HydrophobicContact CG-CG1 3.61Å; L130-V137 HydrophobicContact CD1-CB 4.18Å; L130-V137 HydrophobicContact CD1-CG1 4.17Å; L130-V137 HydrophobicContact CD1-CG2 3.83Å; K135-V137 WeakPolarHBondContact O-CG2 3.41Å; K135-V137 PolarHBondContact O-N 3.05Å; V137-Q157 PolarHBondContact O-N 3.45Å; V137-Q157 PolarHBondContact O-OE1 3.28Å; V137-Y158 PolarHBondContact O-N 3.38Å
138	V	98.4	Very high	96.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.6	178.7	-176.4	0	0	0	0	110.4	A88 V89 L90 Y158 I160 A244 A248 L251	A88-V138 PolarHBondContact O-N 3.44Å; V89-V138 CarbonylContact C-O 3.58Å; V89-V138 WeakPolarHBondContact CA-O 3.35Å; V89-V138 HydrophobicContact CG2-CB 4.42Å; L90-V138 PolarHBondContact N-O 3.49Å; V138-Y158 CarbonylContact C-O 3.55Å; V138-Y158 WeakPolarHBondContact CA-O 3.38Å; V138-I160 HydrophobicContact CG1-CD1 3.89Å; V138-I160 HydrophobicContact CG1-CG1 3.92Å; V138-A244 HydrophobicContact CG1-CB 4.04Å; V138-A248 HydrophobicContact CG2-CB 3.81Å; V138-L251 HydrophobicContact CG2-CD1 3.73Å
139	A	98.6	Very high	96.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	114.9	169.3	0	0	0	0	0	110.2	I141 A153 C156 Y158 R159 I160	A139-I141 HydrophobicContact CB-CG1 4.24Å; A139-A153 HydrophobicContact CB-CB 4.07Å; A139-C156 HydrophobicContact CB-CB 3.98Å; A139-Y158 PolarHBondContact N-O 3.24Å; A139-R159 HydrophobicContact CB-CG 4.22Å; A139-I160 PolarHBondContact O-N 2.89Å
140	A	98.4	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	93.7	176.5	0	0	0	0	0	109.9	V89 L90 I91 F98 L240 A244	V89-A140 HydrophobicContact CG1-CB 3.97Å; L90-A140 WeakPolarHBondContact O-CB 3.32Å; L90-A140 PolarHBondContact O-N 3.39Å; I91-A140 HydrophobicContact CB-CB 3.8Å; I91-A140 HydrophobicContact CD1-CB 3.93Å; I91-A140 HydrophobicContact CG1-CB 3.73Å; F98-A140 WeakPolarHBondContact CD2-O 3.38Å; F98-A140 WeakPolarHBondContact CE2-O 3.48Å; A140-L240 HydrophobicContact CB-CD2 4.17Å; A140-L240 HydrophobicContact CB-CG 4.08Å; A140-A244 HydrophobicContact CB-CB 3.92Å
141	I	98.4	Very high	96.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	105.8	-167.5	-53.5	171.9	0	0	0	110.6	F98 A139 C145 A153 R159 I160 A161 T162 L169	F98-I141 HydrophobicContact CB-CG2 4.16Å; F98-I141 HydrophobicContact CG-CG2 4.32Å; A139-I141 HydrophobicContact CB-CG1 4.24Å; I141-C145 HydrophobicContact CG2-CB 3.49Å; I141-C145 VanDerWaalsContact CG2-CB 3.49Å; I141-A153 HydrophobicContact CD1-CB 3.96Å; I141-R159 HydrophobicContact CD1-CB 4.21Å; I141-R159 HydrophobicContact CD1-CG 4.44Å; I141-I160 PolarHBondContact N-O 2.99Å; I141-A161 HydrophobicContact CB-CB 3.97Å; I141-A161 HydrophobicContact CG2-CB 4.4Å; I141-A161 VanDerWaalsContact O-CA 3.32Å; I141-A161 WeakPolarHBondContact O-CA 3.34Å; I141-T162 PolarHBondContact O-N 2.77Å; I141-T162 PolarHBondContact O-OG1 3.16Å; I141-L169 HydrophobicContact CD1-CD2 3.91Å
142	N	94.8	Very high	96.9	Very high	8 Å²	8	19.4 Å²	19.4	4%	0.043	11%	0.108	C	C	.	.			trans	-106.4	128.4	167	-174	27.6	0	0	0	110.8	C97 F98 T162 M237 L240	C97-N142 CarbonylContact C-O 3.52Å; C97-N142 VanDerWaalsContact C-O 3.25Å; F98-N142 PolarHBondContact N-O 3.31Å; N142-T162 PolarHBondContact OD1-OG1 3.11Å; N142-M237 WeakPolarHBondContact ND2-CG 3.38Å; N142-M237 PolarHBondContact ND2-SD 3.41Å; N142-M237 VanDerWaalsContact ND2-SD 3.4Å; N142-L240 HydrophobicContact CB-CD2 3.94Å
143	G	95.4	Very high	97	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	69.7	-148.9	175	0	0	0	0	0	114.7	G96 C145 K166 T167 V168	G96-G143 WeakPolarHBondContact O-CA 3.32Å; G143-C145 PolarHBondContact O-N 3.13Å; G143-K166 CarbonylContact C-O 3.58Å; G143-T167 PolarHBondContact N-OG1 2.92Å; G143-T167 VanDerWaalsContact N-OG1 3.08Å; G143-T167 WeakPolarHBondContact O-CA 3.14Å; G143-V168 PolarHBondContact O-N 3.32Å
144	S	96.6	Very high	97.1	Very high	34 Å²	34	12.1 Å²	12.1	24%	0.238	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	123.4	-174.7	-63.3	0	0	0	0	112.7	G96 F98 I99	G96-S144 PolarHBondContact O-N 2.68Å; F98-S144 PolarHBondContact N-O 2.84Å; I99-S144 PolarHBondContact N-O 2.7Å; I99-S144 VanDerWaalsContact O-O 3.13Å
145	C	97.9	Very high	97.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	82.9	178.6	-179	0	0	0	0	109.2	F98 I99 I141 G143 V168 L169 G170	F98-C145 HydrophobicContact CB-CB 4.16Å; F98-C145 HydrophobicContact CD1-CB 4.21Å; I99-C145 CarbonylContact O-C 3.58Å; I99-C145 VanDerWaalsContact O-CA 3.29Å; I99-C145 WeakPolarHBondContact O-CA 3.03Å; I141-C145 HydrophobicContact CG2-CB 3.49Å; I141-C145 VanDerWaalsContact CG2-CB 3.49Å; G143-C145 PolarHBondContact O-N 3.13Å; C145-V168 PolarHBondContact N-O 2.86Å; C145-L169 HydrophobicContact CB-CG 4.27Å; C145-L169 WeakPolarHBondContact O-CA 3.29Å; C145-G170 PolarHBondContact O-N 3.04Å
146	L	97.4	Very high	97.3	Very high	25 Å²	25	5.9 Å²	5.9	13%	0.131	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.8	-164.9	-59.2	179	0	0	0	112.3	I99 A100 G101 G148 G149 V168 G170 P172 N206	I99-L146 PolarHBondContact O-N 3.35Å; A100-L146 CarbonylContact C-O 3.47Å; A100-L146 WeakPolarHBondContact O-CB 3.47Å; G101-L146 VanDerWaalsContact CA-O 3.31Å; G101-L146 WeakPolarHBondContact CA-O 3.28Å; G101-L146 PolarHBondContact N-O 3.13Å; L146-G148 PolarHBondContact O-N 3.15Å; L146-G149 WeakPolarHBondContact O-CA 3.42Å; L146-G149 PolarHBondContact O-N 2.78Å; L146-V168 HydrophobicContact CD2-CG2 4.2Å; L146-G170 CarbonylContact C-O 3.55Å; L146-G170 WeakPolarHBondContact CA-O 3.29Å; L146-P172 HydrophobicContact CB-CG 4.39Å; L146-N206 WeakPolarHBondContact CD2-OD1 3.31Å
147	G	95.9	Very high	97.3	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.01	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-129.7	176.8	0	0	0	0	0	113.1	G149 L150 E151 G170 E173	G147-G149 PolarHBondContact O-N 3.39Å; G147-L150 CarbonylContact O-C 3.51Å; G147-L150 WeakPolarHBondContact O-CA 3.44Å; G147-L150 WeakPolarHBondContact O-CB 3.44Å; G147-L150 PolarHBondContact O-N 3.06Å; G147-E151 PolarHBondContact O-N 3.17Å; G147-G170 PolarHBondContact N-O 3.46Å; G147-E173 WeakPolarHBondContact CA-OE1 3.37Å
148	G	94.9	Very high	97.3	Very high	5 Å²	5	7.9 Å²	7.9	5%	0.052	4%	0.043	C	C	.	.	H	α-helix	trans	-47.6	-25.8	170.3	0	0	0	0	0	115.5	L146 E151 L152 E173	L146-G148 PolarHBondContact O-N 3.15Å; G148-E151 WeakPolarHBondContact CA-OE2 3.13Å; G148-E151 PolarHBondContact O-N 3.06Å; G148-L152 PolarHBondContact O-N 3.16Å; G148-E173 PolarHBondContact N-OE1 2.76Å
149	G	96.4	Very high	97.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.7	-39.7	170.4	0	0	0	0	0	114.2	I99 L146 G147 A153	I99-G149 VanDerWaalsContact CG2-CA 3.47Å; L146-G149 WeakPolarHBondContact O-CA 3.42Å; L146-G149 PolarHBondContact O-N 2.78Å; G147-G149 PolarHBondContact O-N 3.39Å; G149-A153 PolarHBondContact O-N 3.08Å
150	L	98.3	Very high	97.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-70.9	-38.2	168.8	-177.6	59.8	0	0	0	111.2	G147 L152 A153 I154 L169 V171 L188 M200 L217	G147-L150 CarbonylContact O-C 3.51Å; G147-L150 WeakPolarHBondContact O-CA 3.44Å; G147-L150 WeakPolarHBondContact O-CB 3.44Å; G147-L150 PolarHBondContact O-N 3.06Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 2.88Å; L150-A153 PolarHBondContact O-N 2.87Å; L150-A153 VanDerWaalsContact O-N 3.11Å; L150-I154 HydrophobicContact CD1-CG2 3.89Å; L150-I154 HydrophobicContact CG-CG2 4.18Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 WeakPolarHBondContact O-CG2 3.38Å; L150-I154 PolarHBondContact O-N 3.29Å; L150-L169 HydrophobicContact CD1-CB 4.19Å; L150-L169 HydrophobicContact CD1-CD2 3.87Å; L150-V171 HydrophobicContact CD2-CG1 4.4Å; L150-L188 HydrophobicContact CD2-CD2 4.44Å; L150-M200 HydrophobicContact CD2-SD 4.12Å; L150-L217 HydrophobicContact CD1-CD1 4.22Å; L150-L217 HydrophobicContact CD1-CD2 4.39Å; L150-L217 HydrophobicContact CD1-CG 4.36Å; L150-L217 HydrophobicContact CD2-CD1 4.41Å; L150-L217 HydrophobicContact CD2-CD2 4.28Å
151	E	98.1	Very high	97.2	Very high	6 Å²	6	8.7 Å²	8.7	3%	0.028	5%	0.046	C	C	.	.	H	α-helix	trans	-58.5	-43.1	177.5	-59.2	-173.6	100.9	0	0	111.7	L127 G147 G148 I154 S155 P180 G181 A182 G183 G184	L127-E151 HydrophobicContact CD1-CB 4.09Å; G147-E151 PolarHBondContact O-N 3.17Å; G148-E151 WeakPolarHBondContact CA-OE2 3.13Å; G148-E151 PolarHBondContact O-N 3.06Å; E151-I154 VanDerWaalsContact O-CG1 3.25Å; E151-I154 WeakPolarHBondContact O-CG1 3.25Å; E151-I154 PolarHBondContact O-N 2.86Å; E151-S155 PolarHBondContact O-N 3.17Å; E151-S155 PolarHBondContact O-OG 3.38Å; E151-P180 HydrophobicContact CG-CB 4.45Å; E151-P180 VanDerWaalsContact OE1-C 3.31Å; E151-P180 WeakPolarHBondContact OE1-CB 3.2Å; E151-G181 PolarHBondContact OE1-N 3.5Å; E151-G181 VanDerWaalsContact OE1-N 3.16Å; E151-G181 PolarHBondContact OE2-N 3.34Å; E151-A182 HydrophobicContact CB-CB 4.09Å; E151-A182 VanDerWaalsContact CD-N 3.32Å; E151-A182 WeakPolarHBondContact OE1-CA 3.33Å; E151-A182 PolarHBondContact OE1-N 3.31Å; E151-A182 PolarHBondContact OE2-N 3.34Å; E151-G183 PolarHBondContact OE1-N 2.92Å; E151-G184 WeakPolarHBondContact OE1-CA 3.25Å; E151-G184 PolarHBondContact OE1-N 2.79Å
152	L	97.7	Very high	97.2	Very high	6 Å²	6	8.7 Å²	8.7	3%	0.031	5%	0.046	C	C	.	.	H	α-helix	trans	-62.7	-42.6	172.5	178.9	146.4	0	0	0	112.4	F72 L90 F98 I99 L127 L130 G148 L150 S155 C156	F72-L152 HydrophobicContact CE1-CD1 4.24Å; F72-L152 HydrophobicContact CE2-CD1 4.39Å; F72-L152 HydrophobicContact CZ-CD1 4.03Å; L90-L152 HydrophobicContact CD1-CD2 3.9Å; F98-L152 HydrophobicContact CE1-CD2 4.06Å; F98-L152 HydrophobicContact CZ-CD2 4.05Å; I99-L152 HydrophobicContact CD1-CD1 4.28Å; I99-L152 HydrophobicContact CD1-CD2 4.22Å; L127-L152 HydrophobicContact CD1-CB 4.27Å; L127-L152 HydrophobicContact CD2-CB 3.98Å; L127-L152 HydrophobicContact CD2-CD1 4.16Å; L127-L152 HydrophobicContact CD2-CG 4.03Å; L130-L152 HydrophobicContact CD2-CG 4.41Å; G148-L152 PolarHBondContact O-N 3.16Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 2.88Å; L152-S155 WeakPolarHBondContact CA-OG 3.44Å; L152-S155 PolarHBondContact O-N 2.78Å; L152-S155 PolarHBondContact O-OG 3.35Å; L152-C156 PolarHBondContact O-N 2.8Å; L152-C156 PolarHBondContact O-SG 3.35Å
153	A	98.1	Very high	97.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.6	-35.1	178.5	0	0	0	0	0	113.1	F98 A139 I141 G149 L150 C156 R159	F98-A153 HydrophobicContact CE1-CB 4.47Å; A139-A153 HydrophobicContact CB-CB 4.07Å; I141-A153 HydrophobicContact CD1-CB 3.96Å; G149-A153 PolarHBondContact O-N 3.08Å; L150-A153 PolarHBondContact O-N 2.87Å; L150-A153 VanDerWaalsContact O-N 3.11Å; A153-C156 WeakPolarHBondContact O-CB 3.39Å; A153-C156 PolarHBondContact O-N 3.28Å; A153-R159 HydrophobicContact CB-CG 4.42Å; A153-R159 VanDerWaalsContact O-CD 3.28Å; A153-R159 WeakPolarHBondContact O-CD 3.22Å; A153-R159 WeakPolarHBondContact O-CG 3.35Å; A153-R159 PolarHBondContact O-NH1 2.84Å
154	I	97.5	Very high	97.2	Very high	8 Å²	8	15.2 Å²	15.2	4%	0.041	8%	0.076	C	C	.	.	H	α-helix	trans	-78.7	-17.2	177.3	66.5	-174.3	0	0	0	113.6	L150 E151 R159 R187 L188 M191 L217	L150-I154 HydrophobicContact CD1-CG2 3.89Å; L150-I154 HydrophobicContact CG-CG2 4.18Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 WeakPolarHBondContact O-CG2 3.38Å; L150-I154 PolarHBondContact O-N 3.29Å; E151-I154 VanDerWaalsContact O-CG1 3.25Å; E151-I154 WeakPolarHBondContact O-CG1 3.25Å; E151-I154 PolarHBondContact O-N 2.86Å; I154-R159 PolarHBondContact O-NH1 2.95Å; I154-R187 HydrophobicContact CD1-CB 3.64Å; I154-R187 HydrophobicContact CG1-CB 3.89Å; I154-L188 HydrophobicContact CD1-CD2 3.71Å; I154-L188 HydrophobicContact CD1-CG 3.74Å; I154-L188 HydrophobicContact CG2-CD2 4.22Å; I154-M191 HydrophobicContact CB-CE 3.68Å; I154-M191 HydrophobicContact CB-SD 4.16Å; I154-M191 HydrophobicContact CG2-CE 3.97Å; I154-M191 HydrophobicContact CG2-SD 3.77Å; I154-L217 HydrophobicContact CG2-CD1 3.99Å
155	S	97.6	Very high	96.9	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.007	9%	0.091	C	C	.	.	H	α-helix	trans	-79.3	-16.3	164.8	44.5	0	0	0	0	114.7	L127 E131 E151 L152	L127-S155 VanDerWaalsContact O-CB 3.25Å; L127-S155 WeakPolarHBondContact O-CB 3.46Å; E131-S155 WeakPolarHBondContact CA-O 3.45Å; E131-S155 PolarHBondContact N-O 2.7Å; E151-S155 PolarHBondContact O-N 3.17Å; E151-S155 PolarHBondContact O-OG 3.38Å; L152-S155 WeakPolarHBondContact CA-OG 3.44Å; L152-S155 PolarHBondContact O-N 2.78Å; L152-S155 PolarHBondContact O-OG 3.35Å
156	C	97.8	Very high	96.7	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.027	11%	0.111	C	C	.	.	S	Bend	trans	-70.6	154.2	173.7	-64.7	0	0	0	0	111.3	A139 L152 A153 Y158 R159	A139-C156 HydrophobicContact CB-CB 3.98Å; L152-C156 PolarHBondContact O-N 2.8Å; L152-C156 PolarHBondContact O-SG 3.35Å; A153-C156 WeakPolarHBondContact O-CB 3.39Å; A153-C156 PolarHBondContact O-N 3.28Å; C156-Y158 VanDerWaalsContact C-N 3.29Å; C156-Y158 PolarHBondContact O-N 3.3Å; C156-R159 PolarHBondContact O-NH1 2.75Å
157	Q	96.6	Very high	96.6	Very high	44 Å²	44	23.9 Å²	23.9	21%	0.206	11%	0.105	C	C	.	.	S	Bend	trans	-69.6	-26.7	180	-72.7	69.4	33.1	0	0	112.6	L130 E131 V137	L130-Q157 PolarHBondContact O-NE2 3.03Å; E131-Q157 PolarHBondContact O-NE2 2.86Å; V137-Q157 PolarHBondContact O-N 3.45Å; V137-Q157 PolarHBondContact O-OE1 3.28Å
158	Y	97.6	Very high	96.7	Very high	23 Å²	23	24.3 Å²	24.3	9%	0.09	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	142.4	-179.8	-148.7	-103.8	0	0	0	111.8	V137 V138 A139 C156 I160 D219 Q220 F247 L251 I256 P258	V137-Y158 PolarHBondContact O-N 3.38Å; V138-Y158 CarbonylContact C-O 3.55Å; V138-Y158 WeakPolarHBondContact CA-O 3.38Å; A139-Y158 PolarHBondContact N-O 3.24Å; C156-Y158 VanDerWaalsContact C-N 3.29Å; C156-Y158 PolarHBondContact O-N 3.3Å; Y158-I160 HydrophobicContact CD1-CD1 4.23Å; Y158-I160 HydrophobicContact CD1-CG1 3.83Å; Y158-I160 HydrophobicContact CE1-CD1 4.38Å; Y158-I160 HydrophobicContact CE1-CG1 4.1Å; Y158-D219 HydrophobicContact CD1-CB 4.01Å; Y158-D219 HydrophobicContact CD2-CB 3.81Å; Y158-D219 HydrophobicContact CE1-CB 3.73Å; Y158-D219 HydrophobicContact CE2-CB 3.54Å; Y158-D219 HydrophobicContact CG-CB 4.04Å; Y158-D219 VanDerWaalsContact CZ-CB 3.49Å; Y158-Q220 HydrophobicContact CE1-CB 3.99Å; Y158-F247 AromaticContact CD1-CD1 3.95Å; Y158-F247 HydrophobicContact CD1-CD1 3.95Å; Y158-F247 AromaticContact CE1-CD1 3.34Å; Y158-F247 HydrophobicContact CE1-CD1 3.34Å; Y158-F247 AromaticContact CE1-CE1 3.59Å; Y158-F247 HydrophobicContact CE1-CE1 3.59Å; Y158-F247 HydrophobicContact CE1-CG 4.32Å; Y158-F247 AromaticContact CZ-CD1 3.87Å; Y158-F247 AromaticContact CZ-CE1 3.86Å; Y158-L251 HydrophobicContact CD2-CD1 4.44Å; Y158-L251 HydrophobicContact CD2-CD2 4.39Å; Y158-L251 HydrophobicContact CG-CD1 4.08Å; Y158-I256 HydrophobicContact CE2-CG2 4.4Å; Y158-P258 HydrophobicContact CD2-CB 4.39Å
159	R	98.1	Very high	96.9	Very high	17 Å²	17	24 Å²	24	6%	0.064	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.7	-180	-65.4	141.2	-71.4	-88.4	-7.5	110.7	A139 I141 A153 I154 C156 L217 D219 Q220	A139-R159 HydrophobicContact CB-CG 4.22Å; I141-R159 HydrophobicContact CD1-CB 4.21Å; I141-R159 HydrophobicContact CD1-CG 4.44Å; A153-R159 HydrophobicContact CB-CG 4.42Å; A153-R159 VanDerWaalsContact O-CD 3.28Å; A153-R159 WeakPolarHBondContact O-CD 3.22Å; A153-R159 WeakPolarHBondContact O-CG 3.35Å; A153-R159 PolarHBondContact O-NH1 2.84Å; I154-R159 PolarHBondContact O-NH1 2.95Å; C156-R159 PolarHBondContact O-NH1 2.75Å; R159-L217 WeakPolarHBondContact CD-O 3.32Å; R159-D219 WeakPolarHBondContact CB-OD2 3.23Å; R159-D219 IonicContact CZ-OD2 2.8Å; R159-D219 PolarHBondContact N-OD2 2.95Å; R159-D219 IonicContact NE-OD2 3.85Å; R159-D219 PolarHBondContact NE-OD2 2.9Å; R159-D219 IonicContact NH2-OD1 2.69Å; R159-D219 PolarHBondContact NH2-OD1 3.35Å; R159-D219 IonicContact NH2-OD2 3.77Å; R159-D219 PolarHBondContact NH2-OD2 3.41Å; R159-D219 PolarHBondContact O-N 2.77Å; R159-Q220 PolarHBondContact O-N 3.24Å
160	I	98.3	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.5	175	-50.7	-173	0	0	0	107.9	V138 A139 I141 Y158 Q220 V222 L240 V243 F247	V138-I160 HydrophobicContact CG1-CD1 3.89Å; V138-I160 HydrophobicContact CG1-CG1 3.92Å; A139-I160 PolarHBondContact O-N 2.89Å; I141-I160 PolarHBondContact N-O 2.99Å; Y158-I160 HydrophobicContact CD1-CD1 4.23Å; Y158-I160 HydrophobicContact CD1-CG1 3.83Å; Y158-I160 HydrophobicContact CE1-CD1 4.38Å; Y158-I160 HydrophobicContact CE1-CG1 4.1Å; I160-Q220 WeakPolarHBondContact CA-O 3.44Å; I160-Q220 HydrophobicContact CG1-CB 4.33Å; I160-Q220 HydrophobicContact CG2-CB 4.47Å; I160-V222 HydrophobicContact CG2-CG2 3.73Å; I160-L240 HydrophobicContact CG2-CD1 3.95Å; I160-V243 HydrophobicContact CD1-CG1 4.24Å; I160-F247 HydrophobicContact CD1-CB 3.81Å; I160-F247 HydrophobicContact CD1-CD1 4.21Å; I160-F247 HydrophobicContact CD1-CD2 3.84Å; I160-F247 HydrophobicContact CD1-CE2 4.48Å; I160-F247 HydrophobicContact CD1-CG 3.67Å
161	A	98.4	Very high	96.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.2	-178.3	0	0	0	0	0	113.4	I141 T167 V218 Q220 L221 V222	I141-A161 HydrophobicContact CB-CB 3.97Å; I141-A161 HydrophobicContact CG2-CB 4.4Å; I141-A161 VanDerWaalsContact O-CA 3.32Å; I141-A161 WeakPolarHBondContact O-CA 3.34Å; A161-T167 HydrophobicContact CB-CG2 4.3Å; A161-V218 HydrophobicContact CB-CG1 3.85Å; A161-V218 HydrophobicContact CB-CG2 4.17Å; A161-Q220 PolarHBondContact N-O 2.76Å; A161-L221 HydrophobicContact CB-CD2 4.01Å; A161-L221 VanDerWaalsContact O-CA 3.32Å; A161-L221 WeakPolarHBondContact O-CA 3.27Å; A161-L221 WeakPolarHBondContact O-CD2 3.33Å; A161-V222 PolarHBondContact O-N 2.83Å
162	T	97.9	Very high	96.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.3	172.2	44.7	0	0	0	0	111.7	I141 N142 D164 T167 A209 V222 T236 L240	I141-T162 PolarHBondContact O-N 2.77Å; I141-T162 PolarHBondContact O-OG1 3.16Å; N142-T162 PolarHBondContact OD1-OG1 3.11Å; T162-D164 PolarHBondContact O-N 3.41Å; T162-T167 WeakPolarHBondContact O-CB 3.32Å; T162-T167 VanDerWaalsContact O-CG2 3.23Å; T162-T167 WeakPolarHBondContact O-CG2 3.31Å; T162-T167 PolarHBondContact O-OG1 2.94Å; T162-T167 PolarHBondContact OG1-OG1 3.36Å; T162-A209 WeakPolarHBondContact O-CB 3.45Å; T162-V222 CarbonylContact C-O 3.57Å; T162-V222 WeakPolarHBondContact CA-O 3.21Å; T162-T236 HydrophobicContact CG2-CG2 3.91Å; T162-L240 HydrophobicContact CG2-CD1 4.25Å; T162-L240 HydrophobicContact CG2-CD2 4.06Å
163	K	96.5	Very high	96.8	Very high	94 Å²	94	26 Å²	26	41%	0.409	12%	0.117	S	C	.	.			trans	-79	46.1	179.7	-167.3	-160.6	165	-166.5	0	112.2	V222 E223	K163-V222 PolarHBondContact N-O 3.49Å; K163-E223 HydrophobicContact CB-CG 4.44Å; K163-E223 HydrophobicContact CD-CG 3.74Å; K163-E223 VanDerWaalsContact CD-OE1 3.24Å; K163-E223 WeakPolarHBondContact CD-OE1 3.47Å; K163-E223 WeakPolarHBondContact CE-OE1 3.41Å; K163-E223 IonicContact NZ-OE1 2.84Å; K163-E223 PolarHBondContact NZ-OE1 3.38Å; K163-E223 IonicContact NZ-OE2 3.61Å; K163-E223 PolarHBondContact NZ-OE2 3.32Å
164	D	93.9	Very high	96.8	Very high	51 Å²	51	26.6 Å²	26.6	27%	0.273	12%	0.12	S	C	.	.			trans	-105.7	157.1	-172.5	-174.8	-94.9	0	0	0	113.4	T162 K166 T167	T162-D164 PolarHBondContact O-N 3.41Å; D164-K166 VanDerWaalsContact C-N 3.34Å; D164-K166 PolarHBondContact O-N 3.18Å; D164-K166 WeakPolarHBondContact OD1-CA 3.44Å; D164-K166 WeakPolarHBondContact OD1-CB 3.32Å; D164-K166 VanDerWaalsContact OD1-CG 3.29Å; D164-K166 WeakPolarHBondContact OD1-CG 3.35Å; D164-K166 PolarHBondContact OD1-N 3.44Å; D164-T167 WeakPolarHBondContact O-CB 3.29Å; D164-T167 PolarHBondContact O-N 3.27Å
165	R	90.3	Very high	96.7	Very high	141 Å²	141	31.1 Å²	31.1	53%	0.532	14%	0.144	S	C	.	.	S	Bend	trans	-74	-17.9	179.2	-172.6	171.2	173.1	152.2	-4.4	113.7	R208 E421	R165-R208 PolarHBondContact O-NH1 2.89Å; R165-E421 IonicContact NH1-OE1 2.7Å
166	K	92.6	Very high	96.6	Very high	101 Å²	101	32.2 Å²	32.2	44%	0.439	15%	0.149	S	C	.	.	S	Bend	trans	-77.9	-24.8	163.8	-54.5	177.4	-167.4	178.4	0	111.8	G143 D164 V168 E233	G143-K166 CarbonylContact C-O 3.58Å; D164-K166 VanDerWaalsContact C-N 3.34Å; D164-K166 PolarHBondContact O-N 3.18Å; D164-K166 WeakPolarHBondContact OD1-CA 3.44Å; D164-K166 WeakPolarHBondContact OD1-CB 3.32Å; D164-K166 VanDerWaalsContact OD1-CG 3.29Å; D164-K166 WeakPolarHBondContact OD1-CG 3.35Å; D164-K166 PolarHBondContact OD1-N 3.44Å; K166-V168 PolarHBondContact O-N 3.36Å; K166-E233 IonicContact NZ-OE1 2.73Å; K166-E233 PolarHBondContact NZ-OE1 3.48Å; K166-E233 IonicContact NZ-OE2 2.73Å; K166-E233 PolarHBondContact NZ-OE2 3.36Å
167	T	96.9	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.			trans	-78.1	109.1	-175.6	-53.7	0	0	0	0	111.1	G143 A161 T162 D164 A209	G143-T167 PolarHBondContact N-OG1 2.92Å; G143-T167 VanDerWaalsContact N-OG1 3.08Å; G143-T167 WeakPolarHBondContact O-CA 3.14Å; A161-T167 HydrophobicContact CB-CG2 4.3Å; T162-T167 WeakPolarHBondContact O-CB 3.32Å; T162-T167 VanDerWaalsContact O-CG2 3.23Å; T162-T167 WeakPolarHBondContact O-CG2 3.31Å; T162-T167 PolarHBondContact O-OG1 2.94Å; T162-T167 PolarHBondContact OG1-OG1 3.36Å; D164-T167 WeakPolarHBondContact O-CB 3.29Å; D164-T167 PolarHBondContact O-N 3.27Å; T167-A209 HydrophobicContact CG2-CB 4.22Å
168	V	97.6	Very high	96.6	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.055	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139	-177.5	-70	0	0	0	0	110.8	G143 C145 L146 K166 N206 I207	G143-V168 PolarHBondContact O-N 3.32Å; C145-V168 PolarHBondContact N-O 2.86Å; L146-V168 HydrophobicContact CD2-CG2 4.2Å; K166-V168 PolarHBondContact O-N 3.36Å; V168-N206 HydrophobicContact CB-CB 4Å; V168-N206 HydrophobicContact CG1-CB 4.11Å; V168-I207 WeakPolarHBondContact CA-O 3.16Å
169	L	98.5	Very high	96.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.7	178.7	-57.8	92.5	0	0	0	109.2	I141 C145 L150 I207 A212 L217 V218	I141-L169 HydrophobicContact CD1-CD2 3.91Å; C145-L169 HydrophobicContact CB-CG 4.27Å; C145-L169 WeakPolarHBondContact O-CA 3.29Å; L150-L169 HydrophobicContact CD1-CB 4.19Å; L150-L169 HydrophobicContact CD1-CD2 3.87Å; L169-I207 PolarHBondContact N-O 2.98Å; L169-I207 WeakPolarHBondContact O-CA 3.25Å; L169-I207 VanDerWaalsContact O-CB 3.27Å; L169-I207 WeakPolarHBondContact O-CB 3.48Å; L169-I207 WeakPolarHBondContact O-CG1 3.45Å; L169-I207 PolarHBondContact O-N 3.25Å; L169-A212 HydrophobicContact CD1-CB 3.9Å; L169-L217 HydrophobicContact CB-CD2 3.84Å; L169-L217 HydrophobicContact CD2-CD2 4.36Å; L169-V218 HydrophobicContact CD1-CG2 4.2Å; L169-V218 HydrophobicContact CD2-CG2 3.5Å
170	G	97.8	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	171.8	178.6	0	0	0	0	0	113.2	C145 L146 G147	C145-G170 PolarHBondContact O-N 3.04Å; L146-G170 CarbonylContact C-O 3.55Å; L146-G170 WeakPolarHBondContact CA-O 3.29Å; G147-G170 PolarHBondContact N-O 3.46Å
171	V	97.3	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.			trans	-124.3	84.7	-179.3	-94.1	0	0	0	0	108.7	L150 E173 P180 L188 M200 M201 G204	L150-V171 HydrophobicContact CD2-CG1 4.4Å; V171-E173 VanDerWaalsContact C-N 3.29Å; V171-E173 WeakPolarHBondContact CA-OE2 3.29Å; V171-E173 VanDerWaalsContact CB-OE2 3.26Å; V171-E173 WeakPolarHBondContact CB-OE2 3.16Å; V171-E173 PolarHBondContact O-N 3.45Å; V171-P180 HydrophobicContact CB-CG 3.92Å; V171-P180 HydrophobicContact CG1-CB 4.15Å; V171-P180 HydrophobicContact CG1-CG 3.78Å; V171-L188 HydrophobicContact CG1-CD1 4.05Å; V171-L188 HydrophobicContact CG2-CD1 3.71Å; V171-M200 HydrophobicContact CG2-CB 4.27Å; V171-M200 HydrophobicContact CG2-CG 3.72Å; V171-M200 HydrophobicContact CG2-SD 3.91Å; V171-M201 HydrophobicContact CB-CG 4.48Å; V171-M201 HydrophobicContact CG2-CB 4.44Å; V171-M201 HydrophobicContact CG2-CG 3.7Å; V171-G204 WeakPolarHBondContact O-CA 3.4Å
172	P	96.7	Very high	96.4	Very high	32 Å²	32	29 Å²	29	21%	0.208	14%	0.14	C	C	.	.			trans	-82.5	5.3	-170.8	35.8	-36.2	0	0	0	114.3	L146 V174 L175	L146-P172 HydrophobicContact CB-CG 4.39Å; P172-V174 PolarHBondContact O-N 3.18Å; P172-V174 VanDerWaalsContact O-N 3.1Å; P172-L175 HydrophobicContact CB-CD1 4.14Å; P172-L175 VanDerWaalsContact O-CB 3.24Å; P172-L175 WeakPolarHBondContact O-CB 3.14Å; P172-L175 WeakPolarHBondContact O-CG 3.48Å; P172-L175 PolarHBondContact O-N 2.83Å
173	E	97.1	Very high	96.3	Very high	21 Å²	21	29 Å²	29	10%	0.098	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-54.4	-34.1	-172.8	-70.3	79.4	-174.3	0	0	113.5	G147 G148 V171 L175 L176 G177 A178 L179	G147-E173 WeakPolarHBondContact CA-OE1 3.37Å; G148-E173 PolarHBondContact N-OE1 2.76Å; V171-E173 VanDerWaalsContact C-N 3.29Å; V171-E173 WeakPolarHBondContact CA-OE2 3.29Å; V171-E173 VanDerWaalsContact CB-OE2 3.26Å; V171-E173 WeakPolarHBondContact CB-OE2 3.16Å; V171-E173 PolarHBondContact O-N 3.45Å; E173-L175 PolarHBondContact O-N 3.47Å; E173-L176 CarbonylContact O-C 3.59Å; E173-L176 WeakPolarHBondContact O-CA 3.4Å; E173-L176 WeakPolarHBondContact O-CB 3.44Å; E173-L176 PolarHBondContact O-N 3.34Å; E173-G177 PolarHBondContact O-N 3.35Å; E173-A178 CarbonylContact C-O 3.57Å; E173-A178 HydrophobicContact CB-CB 4.25Å; E173-A178 CarbonylContact O-C 3.39Å; E173-A178 PolarHBondContact O-N 3.48Å; E173-L179 VanDerWaalsContact CB-C 3.48Å
174	V	97.6	Very high	96.4	Very high	13 Å²	13	24.5 Å²	24.5	8%	0.079	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-59.6	-28.1	176.4	72.5	0	0	0	0	113	P172 L176 G177 A178 M201 A300 P301 I304	P172-V174 PolarHBondContact O-N 3.18Å; P172-V174 VanDerWaalsContact O-N 3.1Å; V174-L176 PolarHBondContact O-N 3.37Å; V174-G177 PolarHBondContact O-N 2.8Å; V174-G177 VanDerWaalsContact O-N 3.14Å; V174-A178 WeakPolarHBondContact CA-O 3.42Å; V174-A178 PolarHBondContact N-O 3.4Å; V174-M201 VanDerWaalsContact CB-O 3.3Å; V174-M201 WeakPolarHBondContact CB-O 3.43Å; V174-M201 WeakPolarHBondContact CG1-O 3.35Å; V174-A300 HydrophobicContact CG2-CB 4.46Å; V174-P301 HydrophobicContact CG2-CG 3.7Å; V174-I304 HydrophobicContact CB-CD1 3.94Å; V174-I304 HydrophobicContact CG2-CD1 3.86Å
175	L	95.9	Very high	96.6	Very high	102 Å²	102	22.1 Å²	22.1	53%	0.534	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-74.6	-15.5	177.3	-51.9	177.7	0	0	0	112.4	P172 E173	P172-L175 HydrophobicContact CB-CD1 4.14Å; P172-L175 VanDerWaalsContact O-CB 3.24Å; P172-L175 WeakPolarHBondContact O-CB 3.14Å; P172-L175 WeakPolarHBondContact O-CG 3.48Å; P172-L175 PolarHBondContact O-N 2.83Å; E173-L175 PolarHBondContact O-N 3.47Å
176	L	95.8	Very high	97	Very high	24 Å²	24	15.6 Å²	15.6	13%	0.126	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-101.1	9	171.4	-55.9	177.1	0	0	0	111.8	I104 E173 V174 A178 S336 M340 Y343	I104-L176 HydrophobicContact CD1-CD1 3.66Å; I104-L176 HydrophobicContact CD1-CD2 4.21Å; I104-L176 HydrophobicContact CG1-CD1 3.95Å; E173-L176 CarbonylContact O-C 3.59Å; E173-L176 WeakPolarHBondContact O-CA 3.4Å; E173-L176 WeakPolarHBondContact O-CB 3.44Å; E173-L176 PolarHBondContact O-N 3.34Å; V174-L176 PolarHBondContact O-N 3.37Å; L176-A178 VanDerWaalsContact C-N 3.26Å; L176-A178 PolarHBondContact O-N 3.42Å; L176-S336 VanDerWaalsContact O-CA 3.29Å; L176-S336 WeakPolarHBondContact O-CA 3.23Å; L176-S336 WeakPolarHBondContact O-CB 3.17Å; L176-S336 PolarHBondContact O-OG 2.77Å; L176-M340 HydrophobicContact CB-CE 4.45Å; L176-M340 HydrophobicContact CB-CG 4.24Å; L176-M340 HydrophobicContact CD2-CG 4.45Å; L176-Y343 HydrophobicContact CD2-CD2 3.89Å; L176-Y343 HydrophobicContact CD2-CG 3.82Å
177	G	96.6	Very high	97.2	Very high	4 Å²	4	11 Å²	11	4%	0.041	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	21.2	-173.8	0	0	0	0	0	114.2	E173 V174 A300	E173-G177 PolarHBondContact O-N 3.35Å; V174-G177 PolarHBondContact O-N 2.8Å; V174-G177 VanDerWaalsContact O-N 3.14Å; G177-A300 WeakPolarHBondContact O-CB 3.48Å
178	A	96.4	Very high	97.2	Very high	3 Å²	3	11 Å²	11	3%	0.025	6%	0.064	C	C	.	.			trans	-115.8	-170.4	178.7	0	0	0	0	0	111.7	E173 V174 L176 A300 F327 V331	E173-A178 CarbonylContact C-O 3.57Å; E173-A178 HydrophobicContact CB-CB 4.25Å; E173-A178 CarbonylContact O-C 3.39Å; E173-A178 PolarHBondContact O-N 3.48Å; V174-A178 WeakPolarHBondContact CA-O 3.42Å; V174-A178 PolarHBondContact N-O 3.4Å; L176-A178 VanDerWaalsContact C-N 3.26Å; L176-A178 PolarHBondContact O-N 3.42Å; A178-A300 WeakPolarHBondContact O-CB 3.34Å; A178-F327 HydrophobicContact CB-CE2 4.27Å; A178-V331 HydrophobicContact CB-CG2 4.37Å
179	L	97.8	Very high	97.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.064	C	C	.	.			trans	-136.3	164.7	173.1	58.1	74.1	0	0	0	110.3	E173 G181 T185 K303 I304 V307 E323 K326 F327 L330	E173-L179 VanDerWaalsContact CB-C 3.48Å; L179-G181 PolarHBondContact O-N 3.15Å; L179-T185 HydrophobicContact CD1-CG2 4.39Å; L179-K303 HydrophobicContact CD2-CB 4.34Å; L179-I304 HydrophobicContact CB-CD1 4.05Å; L179-I304 HydrophobicContact CB-CG1 3.51Å; L179-I304 HydrophobicContact CD2-CG1 4.3Å; L179-V307 HydrophobicContact CD2-CG2 4.07Å; L179-E323 HydrophobicContact CD1-CG 3.86Å; L179-K326 HydrophobicContact CD2-CB 4.09Å; L179-F327 HydrophobicContact CD1-CB 3.85Å; L179-F327 HydrophobicContact CD1-CD2 4.22Å; L179-F327 WeakPolarHBondContact O-CD2 3.32Å; L179-F327 WeakPolarHBondContact O-CE2 3.32Å; L179-L330 HydrophobicContact CB-CD1 4.24Å; L179-L330 HydrophobicContact CD2-CD1 3.63Å; L179-L330 HydrophobicContact CG-CD1 3.78Å
180	P	97.9	Very high	96.9	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	9%	0.088	C	C	.	.			trans	-58.7	128.4	176.2	-23.3	35.1	0	0	0	110.7	E151 V171 T185 M201 E323	E151-P180 HydrophobicContact CG-CB 4.45Å; E151-P180 VanDerWaalsContact OE1-C 3.31Å; E151-P180 WeakPolarHBondContact OE1-CB 3.2Å; V171-P180 HydrophobicContact CB-CG 3.92Å; V171-P180 HydrophobicContact CG1-CB 4.15Å; V171-P180 HydrophobicContact CG1-CG 3.78Å; P180-T185 HydrophobicContact CB-CG2 4.45Å; P180-T185 HydrophobicContact CG-CG2 4.49Å; P180-M201 HydrophobicContact CG-CG 3.92Å; P180-M201 HydrophobicContact CG-SD 3.96Å; P180-E323 WeakPolarHBondContact O-CG 3.5Å
181	G	96.4	Very high	96.6	Very high	7 Å²	7	18.7 Å²	18.7	7%	0.072	10%	0.098	C	C	.	.			trans	-116	6.7	-163.5	0	0	0	0	0	115.1	S120 E151 L179	S120-G181 WeakPolarHBondContact CA-O 3.33Å; S120-G181 WeakPolarHBondContact CB-O 3.08Å; S120-G181 PolarHBondContact OG-O 2.85Å; E151-G181 PolarHBondContact OE1-N 3.5Å; E151-G181 VanDerWaalsContact OE1-N 3.16Å; E151-G181 PolarHBondContact OE2-N 3.34Å; L179-G181 PolarHBondContact O-N 3.15Å
182	A	96.6	Very high	96.4	Very high	6 Å²	6	19.7 Å²	19.7	5%	0.05	10%	0.104	C	C	.	.	S	Bend	trans	-130.3	26.9	-179	0	0	0	0	0	112.3	A123 L127 E151 R187 E323	A123-A182 HydrophobicContact CB-CB 3.79Å; L127-A182 HydrophobicContact CD1-CB 3.77Å; E151-A182 HydrophobicContact CB-CB 4.09Å; E151-A182 VanDerWaalsContact CD-N 3.32Å; E151-A182 WeakPolarHBondContact OE1-CA 3.33Å; E151-A182 PolarHBondContact OE1-N 3.31Å; E151-A182 PolarHBondContact OE2-N 3.34Å; A182-R187 PolarHBondContact O-NH1 3.3Å; A182-E323 PolarHBondContact N-OE1 3.18Å
183	G	96.8	Very high	96.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	107.7	4.7	174.9	0	0	0	0	0	115.8	E151 T185 Q186 R187 E323	E151-G183 PolarHBondContact OE1-N 2.92Å; G183-T185 VanDerWaalsContact C-N 3.28Å; G183-T185 PolarHBondContact O-N 3.47Å; G183-Q186 PolarHBondContact O-N 2.61Å; G183-R187 WeakPolarHBondContact O-CB 3.45Å; G183-R187 PolarHBondContact O-N 3.5Å; G183-E323 VanDerWaalsContact C-OE2 3.25Å; G183-E323 VanDerWaalsContact CA-OE1 3.26Å; G183-E323 WeakPolarHBondContact CA-OE1 3.5Å; G183-E323 VanDerWaalsContact CA-OE2 3.28Å; G183-E323 WeakPolarHBondContact CA-OE2 3.48Å; G183-E323 PolarHBondContact N-OE1 2.97Å; G183-E323 PolarHBondContact N-OE2 3.36Å
184	G	97.6	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.2	-36	179.8	0	0	0	0	0	113.2	E151 Q186 L188 E323	E151-G184 WeakPolarHBondContact OE1-CA 3.25Å; E151-G184 PolarHBondContact OE1-N 2.79Å; G184-Q186 PolarHBondContact O-N 3.36Å; G184-L188 VanDerWaalsContact O-CB 3.27Å; G184-L188 WeakPolarHBondContact O-CB 3.38Å; G184-L188 WeakPolarHBondContact O-CG 3.34Å; G184-L188 PolarHBondContact O-N 3.5Å; G184-E323 PolarHBondContact N-OE2 2.84Å
185	T	98.4	Very high	95.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.4	-19.6	176.6	69.5	0	0	0	0	112.9	L179 P180 G183 P189 M201 V307 E323	L179-T185 HydrophobicContact CD1-CG2 4.39Å; P180-T185 HydrophobicContact CB-CG2 4.45Å; P180-T185 HydrophobicContact CG-CG2 4.49Å; G183-T185 VanDerWaalsContact C-N 3.28Å; G183-T185 PolarHBondContact O-N 3.47Å; T185-P189 WeakPolarHBondContact O-CD 3.34Å; T185-P189 WeakPolarHBondContact O-CG 3.48Å; T185-M201 HydrophobicContact CG2-SD 3.99Å; T185-V307 HydrophobicContact CG2-CG1 3.9Å; T185-V307 WeakPolarHBondContact OG1-CG1 3.38Å; T185-E323 VanDerWaalsContact CB-OE2 3.29Å; T185-E323 WeakPolarHBondContact CB-OE2 3.35Å; T185-E323 HydrophobicContact CG2-CG 3.93Å; T185-E323 WeakPolarHBondContact CG2-OE2 3.48Å; T185-E323 PolarHBondContact N-OE2 3.37Å; T185-E323 VanDerWaalsContact OG1-CD 3.3Å; T185-E323 WeakPolarHBondContact OG1-CG 3.46Å; T185-E323 PolarHBondContact OG1-OE2 2.68Å
186	Q	98.4	Very high	95.7	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-103.7	-39	-176	-54.7	-51.4	-42.4	0	0	112.7	G183 G184 K190 V307 G311 G319 Y320	G183-Q186 PolarHBondContact O-N 2.61Å; G184-Q186 PolarHBondContact O-N 3.36Å; Q186-K190 WeakPolarHBondContact O-CD 3.5Å; Q186-K190 WeakPolarHBondContact O-CG 3.43Å; Q186-V307 PolarHBondContact NE2-O 3.38Å; Q186-G311 VanDerWaalsContact OE1-CA 3.28Å; Q186-G319 PolarHBondContact NE2-O 3.47Å; Q186-Y320 HydrophobicContact CB-CD1 4.02Å; Q186-Y320 HydrophobicContact CB-CE1 3.54Å; Q186-Y320 HydrophobicContact CB-CE2 4.48Å; Q186-Y320 HydrophobicContact CG-CD1 3.58Å; Q186-Y320 HydrophobicContact CG-CE1 3.67Å; Q186-Y320 HydrophobicContact CG-CG 4.04Å
187	R	97.6	Very high	95.8	Very high	6 Å²	6	17.1 Å²	17.1	2%	0.023	10%	0.104	C	C	.	.	H	α-helix	trans	-81.4	-40.5	-178.3	-66.8	-178.8	-177.9	110.3	9	112.4	L127 E131 I154 A182 G183 K190 M191 Y320	L127-R187 PolarHBondContact O-NH2 2.83Å; E131-R187 IonicContact OE2-CZ 3.79Å; E131-R187 IonicContact OE2-NE 3.2Å; E131-R187 PolarHBondContact OE2-NE 3.37Å; E131-R187 IonicContact OE2-NH2 2.79Å; E131-R187 PolarHBondContact OE2-NH2 2.98Å; I154-R187 HydrophobicContact CD1-CB 3.64Å; I154-R187 HydrophobicContact CG1-CB 3.89Å; A182-R187 PolarHBondContact O-NH1 3.3Å; G183-R187 WeakPolarHBondContact O-CB 3.45Å; G183-R187 PolarHBondContact O-N 3.5Å; R187-K190 PolarHBondContact O-N 3.04Å; R187-M191 VanDerWaalsContact O-CB 3.3Å; R187-M191 WeakPolarHBondContact O-CB 2.81Å; R187-M191 PolarHBondContact O-N 3.09Å; R187-Y320 PolarHBondContact NE-OH 3.36Å; R187-Y320 PolarHBondContact NH2-OH 3.36Å
188	L	97.6	Very high	95.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-46.2	-179.1	-65.8	172.8	0	0	0	113	L150 I154 V171 G184 K190 M191 V192 A197 M200 M201 L217	L150-L188 HydrophobicContact CD2-CD2 4.44Å; I154-L188 HydrophobicContact CD1-CD2 3.71Å; I154-L188 HydrophobicContact CD1-CG 3.74Å; I154-L188 HydrophobicContact CG2-CD2 4.22Å; V171-L188 HydrophobicContact CG1-CD1 4.05Å; V171-L188 HydrophobicContact CG2-CD1 3.71Å; G184-L188 VanDerWaalsContact O-CB 3.27Å; G184-L188 WeakPolarHBondContact O-CB 3.38Å; G184-L188 WeakPolarHBondContact O-CG 3.34Å; G184-L188 PolarHBondContact O-N 3.5Å; L188-K190 VanDerWaalsContact C-N 3.31Å; L188-K190 PolarHBondContact O-N 3.5Å; L188-M191 PolarHBondContact O-N 3.05Å; L188-V192 WeakPolarHBondContact O-CG2 3.33Å; L188-V192 PolarHBondContact O-N 3.09Å; L188-A197 VanDerWaalsContact C-CB 3.5Å; L188-A197 HydrophobicContact CB-CB 3.8Å; L188-M200 HydrophobicContact CD1-SD 4.26Å; L188-M200 HydrophobicContact CD2-CE 4.49Å; L188-M200 HydrophobicContact CD2-SD 4.39Å; L188-M201 HydrophobicContact CD1-CG 4.08Å; L188-M201 HydrophobicContact CD1-SD 4.33Å; L188-L217 HydrophobicContact CD2-CD1 3.59Å
189	P	95.4	Very high	95.8	Very high	10 Å²	10	19.5 Å²	19.5	7%	0.065	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-33.5	179.7	-23.9	35.7	0	0	0	113.8	T185 G193 V194 A197 M201 V308 I312	T185-P189 WeakPolarHBondContact O-CD 3.34Å; T185-P189 WeakPolarHBondContact O-CG 3.48Å; P189-G193 CarbonylContact O-C 3.53Å; P189-G193 WeakPolarHBondContact O-CA 3.31Å; P189-G193 PolarHBondContact O-N 2.93Å; P189-G193 VanDerWaalsContact O-N 3.16Å; P189-V194 HydrophobicContact CB-CG2 4.32Å; P189-A197 HydrophobicContact CB-CB 4.11Å; P189-A197 HydrophobicContact CG-CB 3.8Å; P189-M201 HydrophobicContact CG-CE 4.22Å; P189-V308 HydrophobicContact CB-CG1 4.48Å; P189-V308 HydrophobicContact CG-CG1 3.88Å; P189-V308 HydrophobicContact CG-CG2 4.32Å; P189-I312 HydrophobicContact CB-CD1 3.88Å; P189-I312 HydrophobicContact CG-CD1 4.46Å
190	K	92.8	Very high	95.8	Very high	117 Å²	117	19.5 Å²	19.5	51%	0.509	12%	0.116	S	C	.	.	H	α-helix	trans	-68.4	-41.7	173.6	-65.5	173.4	-174.6	174.4	0	111.9	Q186 R187 L188 S316	Q186-K190 WeakPolarHBondContact O-CD 3.5Å; Q186-K190 WeakPolarHBondContact O-CG 3.43Å; R187-K190 PolarHBondContact O-N 3.04Å; L188-K190 VanDerWaalsContact C-N 3.31Å; L188-K190 PolarHBondContact O-N 3.5Å; K190-S316 WeakPolarHBondContact CE-OG 3.36Å; K190-S316 PolarHBondContact NZ-OG 3.21Å
191	M	92.6	Very high	95.8	Very high	43 Å²	43	19.5 Å²	19.5	21%	0.212	12%	0.116	C	C	.	.	H	α-helix	trans	-76.9	-57.1	-174	-174.2	176.3	-69.8	0	0	113.1	I154 R187 L188 G216 L217	I154-M191 HydrophobicContact CB-CE 3.68Å; I154-M191 HydrophobicContact CB-SD 4.16Å; I154-M191 HydrophobicContact CG2-CE 3.97Å; I154-M191 HydrophobicContact CG2-SD 3.77Å; R187-M191 VanDerWaalsContact O-CB 3.3Å; R187-M191 WeakPolarHBondContact O-CB 2.81Å; R187-M191 PolarHBondContact O-N 3.09Å; L188-M191 PolarHBondContact O-N 3.05Å; M191-G216 WeakPolarHBondContact CG-O 3.45Å; M191-L217 HydrophobicContact SD-CD1 4.15Å
192	V	93.3	Very high	95.9	Very high	20 Å²	20	20.6 Å²	20.6	12%	0.121	12%	0.119	C	C	.	.	H	α-helix	trans	-104.2	-0.5	-173.5	-57	0	0	0	0	114	L188 A196 A197 M200 M215 L217	L188-V192 WeakPolarHBondContact O-CG2 3.33Å; L188-V192 PolarHBondContact O-N 3.09Å; V192-A196 HydrophobicContact CB-CB 4.41Å; V192-A196 HydrophobicContact CG2-CB 4.1Å; V192-A197 HydrophobicContact CG2-CB 4.02Å; V192-M200 HydrophobicContact CG2-CE 4.3Å; V192-M215 HydrophobicContact CB-CE 4.02Å; V192-M215 HydrophobicContact CG1-CE 4.12Å; V192-M215 HydrophobicContact CG1-CG 4.35Å; V192-M215 HydrophobicContact CG2-CE 4.1Å; V192-L217 HydrophobicContact CG1-CB 3.88Å; V192-L217 HydrophobicContact CG1-CD1 4.08Å
193	G	92.4	Very high	95.9	Very high	26 Å²	26	23.3 Å²	23.3	27%	0.268	14%	0.136	S	C	.	.			trans	84.8	142.9	-177.1	0	0	0	0	0	113.1	P189 P195 A196 A197	P189-G193 CarbonylContact O-C 3.53Å; P189-G193 WeakPolarHBondContact O-CA 3.31Å; P189-G193 PolarHBondContact O-N 2.93Å; P189-G193 VanDerWaalsContact O-N 3.16Å; G193-P195 VanDerWaalsContact C-CD 3.46Å; G193-A196 PolarHBondContact O-N 3.42Å; G193-A196 VanDerWaalsContact O-N 3.11Å; G193-A197 WeakPolarHBondContact O-CB 3.38Å; G193-A197 PolarHBondContact O-N 2.78Å
194	V	92.3	Very high	95.9	Very high	13 Å²	13	23.5 Å²	23.5	8%	0.079	14%	0.138	C	C	.	.	H	α-helix	trans	-46.7	-47	-174.7	-166.2	0	0	0	0	114.2	P189 A196 A197 L198 M273 Y283 V308 I312	P189-V194 HydrophobicContact CB-CG2 4.32Å; V194-A196 PolarHBondContact O-N 2.85Å; V194-A197 PolarHBondContact O-N 3.37Å; V194-L198 HydrophobicContact CG1-CD1 3.8Å; V194-L198 HydrophobicContact CG1-CG 4.21Å; V194-L198 WeakPolarHBondContact O-CB 3.36Å; V194-L198 WeakPolarHBondContact O-CG 3.5Å; V194-L198 PolarHBondContact O-N 3.38Å; V194-M273 HydrophobicContact CB-CE 3.96Å; V194-M273 HydrophobicContact CG1-CE 4.46Å; V194-M273 HydrophobicContact CG2-CE 4.1Å; V194-Y283 HydrophobicContact CG1-CE1 4.06Å; V194-V308 HydrophobicContact CG1-CG1 4.26Å; V194-I312 HydrophobicContact CG1-CD1 4.04Å; V194-I312 HydrophobicContact CG2-CD1 3.71Å
195	P	92.7	Very high	95.8	Very high	71 Å²	71	26.9 Å²	26.9	46%	0.461	15%	0.15	S	C	.	.	H	α-helix	trans	-66.5	-36.6	-176.6	-20.8	34.5	0	0	0	113.3	G193 D199	G193-P195 VanDerWaalsContact C-CD 3.46Å; P195-D199 VanDerWaalsContact O-CB 3.23Å; P195-D199 WeakPolarHBondContact O-CB 3.48Å; P195-D199 PolarHBondContact O-N 2.71Å; P195-D199 VanDerWaalsContact O-N 3.14Å
196	A	94.7	Very high	95.7	Very high	29 Å²	29	31.1 Å²	31.1	24%	0.24	17%	0.173	C	C	.	.	H	α-helix	trans	-80	-32.1	179.4	0	0	0	0	0	112.2	V192 G193 V194 M200 M215	V192-A196 HydrophobicContact CB-CB 4.41Å; V192-A196 HydrophobicContact CG2-CB 4.1Å; G193-A196 PolarHBondContact O-N 3.42Å; G193-A196 VanDerWaalsContact O-N 3.11Å; V194-A196 PolarHBondContact O-N 2.85Å; A196-M200 WeakPolarHBondContact O-CB 3.28Å; A196-M200 PolarHBondContact O-N 2.91Å; A196-M215 HydrophobicContact CB-CE 3.98Å
197	A	97	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.2	-48.8	174	0	0	0	0	0	111.5	L188 P189 V192 G193 V194 M200 M201	L188-A197 VanDerWaalsContact C-CB 3.5Å; L188-A197 HydrophobicContact CB-CB 3.8Å; P189-A197 HydrophobicContact CB-CB 4.11Å; P189-A197 HydrophobicContact CG-CB 3.8Å; V192-A197 HydrophobicContact CG2-CB 4.02Å; G193-A197 WeakPolarHBondContact O-CB 3.38Å; G193-A197 PolarHBondContact O-N 2.78Å; V194-A197 PolarHBondContact O-N 3.37Å; A197-M200 PolarHBondContact O-N 2.8Å; A197-M201 HydrophobicContact CB-CE 3.94Å; A197-M201 VanDerWaalsContact O-CE 3.31Å; A197-M201 WeakPolarHBondContact O-CE 3.32Å; A197-M201 WeakPolarHBondContact O-CG 3.42Å; A197-M201 PolarHBondContact O-N 2.89Å
198	L	97.3	Very high	95.6	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-48.5	174.5	-75.9	174.7	0	0	0	111.2	V194 M200 M201 L202 V286 I304 I305 V308	V194-L198 HydrophobicContact CG1-CD1 3.8Å; V194-L198 HydrophobicContact CG1-CG 4.21Å; V194-L198 WeakPolarHBondContact O-CB 3.36Å; V194-L198 WeakPolarHBondContact O-CG 3.5Å; V194-L198 PolarHBondContact O-N 3.38Å; L198-M200 VanDerWaalsContact C-N 3.27Å; L198-M200 PolarHBondContact O-N 3.03Å; L198-M201 PolarHBondContact O-N 3.29Å; L198-L202 HydrophobicContact CB-CD1 4.03Å; L198-L202 HydrophobicContact CD2-CD1 4.33Å; L198-L202 WeakPolarHBondContact O-CB 3.46Å; L198-L202 WeakPolarHBondContact O-CD1 3.34Å; L198-L202 WeakPolarHBondContact O-CG 3.21Å; L198-L202 PolarHBondContact O-N 3.04Å; L198-V286 HydrophobicContact CD1-CG1 4.38Å; L198-V286 HydrophobicContact CD1-CG2 4.35Å; L198-I304 HydrophobicContact CD2-CG2 4.4Å; L198-I305 HydrophobicContact CD2-CG1 4.43Å; L198-V308 HydrophobicContact CD2-CB 4.01Å; L198-V308 HydrophobicContact CD2-CG1 3.93Å; L198-V308 HydrophobicContact CD2-CG2 4Å; L198-V308 HydrophobicContact CG-CG1 4.28Å
199	D	96.5	Very high	95.5	Very high	55 Å²	55	36 Å²	36	29%	0.294	19%	0.192	S	C	.	.	H	α-helix	trans	-59.4	-34.7	176.4	156.9	-80.8	0	0	0	112.9	P195 T203 R205	P195-D199 VanDerWaalsContact O-CB 3.23Å; P195-D199 WeakPolarHBondContact O-CB 3.48Å; P195-D199 PolarHBondContact O-N 2.71Å; P195-D199 VanDerWaalsContact O-N 3.14Å; D199-T203 WeakPolarHBondContact O-CB 3.34Å; D199-T203 WeakPolarHBondContact O-CG2 3.2Å; D199-T203 PolarHBondContact O-N 3.07Å; D199-T203 PolarHBondContact O-OG1 3.4Å; D199-R205 IonicContact OD1-CZ 2.78Å; D199-R205 IonicContact OD1-NE 3.95Å; D199-R205 IonicContact OD1-NH1 3.31Å; D199-R205 PolarHBondContact OD1-NH1 3.48Å; D199-R205 IonicContact OD1-NH2 2.79Å; D199-R205 PolarHBondContact OD1-NH2 3.02Å; D199-R205 IonicContact OD2-CZ 2.93Å; D199-R205 IonicContact OD2-NH1 2.76Å; D199-R205 PolarHBondContact OD2-NH1 3.25Å; D199-R205 IonicContact OD2-NH2 3.12Å
200	M	97.9	Very high	95.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.2	-50.5	175	-162.1	-172.7	-49.1	0	0	111.9	L150 V171 L188 V192 A196 A197 L198 G204 I207 M215 L217	L150-M200 HydrophobicContact CD2-SD 4.12Å; V171-M200 HydrophobicContact CG2-CB 4.27Å; V171-M200 HydrophobicContact CG2-CG 3.72Å; V171-M200 HydrophobicContact CG2-SD 3.91Å; L188-M200 HydrophobicContact CD1-SD 4.26Å; L188-M200 HydrophobicContact CD2-CE 4.49Å; L188-M200 HydrophobicContact CD2-SD 4.39Å; V192-M200 HydrophobicContact CG2-CE 4.3Å; A196-M200 WeakPolarHBondContact O-CB 3.28Å; A196-M200 PolarHBondContact O-N 2.91Å; A197-M200 PolarHBondContact O-N 2.8Å; L198-M200 VanDerWaalsContact C-N 3.27Å; L198-M200 PolarHBondContact O-N 3.03Å; M200-G204 PolarHBondContact O-N 3.03Å; M200-I207 HydrophobicContact CE-CG1 4.41Å; M200-I207 HydrophobicContact CG-CG1 4.42Å; M200-I207 HydrophobicContact SD-CG1 4.46Å; M200-M215 HydrophobicContact CE-CE 3.53Å; M200-M215 HydrophobicContact CE-SD 4.41Å; M200-L217 HydrophobicContact CE-CD1 4.32Å; M200-L217 HydrophobicContact CE-CD2 3.89Å; M200-L217 HydrophobicContact SD-CD2 4.24Å
201	M	98.3	Very high	95.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-68.8	-36	-178.8	-70.4	-178.7	-79	0	0	113.3	V171 V174 P180 T185 L188 P189 A197 L198 I304 V308	V171-M201 HydrophobicContact CB-CG 4.48Å; V171-M201 HydrophobicContact CG2-CB 4.44Å; V171-M201 HydrophobicContact CG2-CG 3.7Å; V174-M201 VanDerWaalsContact CB-O 3.3Å; V174-M201 WeakPolarHBondContact CB-O 3.43Å; V174-M201 WeakPolarHBondContact CG1-O 3.35Å; P180-M201 HydrophobicContact CG-CG 3.92Å; P180-M201 HydrophobicContact CG-SD 3.96Å; T185-M201 HydrophobicContact CG2-SD 3.99Å; L188-M201 HydrophobicContact CD1-CG 4.08Å; L188-M201 HydrophobicContact CD1-SD 4.33Å; P189-M201 HydrophobicContact CG-CE 4.22Å; A197-M201 HydrophobicContact CB-CE 3.94Å; A197-M201 VanDerWaalsContact O-CE 3.31Å; A197-M201 WeakPolarHBondContact O-CE 3.32Å; A197-M201 WeakPolarHBondContact O-CG 3.42Å; A197-M201 PolarHBondContact O-N 2.89Å; L198-M201 PolarHBondContact O-N 3.29Å; M201-I304 HydrophobicContact CB-CG2 3.75Å; M201-I304 HydrophobicContact SD-CG2 4.48Å; M201-V308 HydrophobicContact CE-CG2 3.56Å; M201-V308 HydrophobicContact SD-CG2 4.33Å
202	L	97.9	Very high	95.7	Very high	29 Å²	29	36.7 Å²	36.7	15%	0.152	19%	0.193	C	C	.	.	H	α-helix	trans	-82	-17.5	-177.4	-64.1	170.9	0	0	0	113.6	L198 V286 V290 P301 I304 I305	L198-L202 HydrophobicContact CB-CD1 4.03Å; L198-L202 HydrophobicContact CD2-CD1 4.33Å; L198-L202 WeakPolarHBondContact O-CB 3.46Å; L198-L202 WeakPolarHBondContact O-CD1 3.34Å; L198-L202 WeakPolarHBondContact O-CG 3.21Å; L198-L202 PolarHBondContact O-N 3.04Å; L202-V286 HydrophobicContact CD1-CG1 3.44Å; L202-V286 VanDerWaalsContact CD1-CG1 3.44Å; L202-V290 HydrophobicContact CD1-CG2 4.03Å; L202-V290 HydrophobicContact CD2-CG2 4.47Å; L202-P301 HydrophobicContact CD2-CB 4.1Å; L202-P301 WeakPolarHBondContact CD2-O 3.26Å; L202-I304 HydrophobicContact CD2-CB 3.79Å; L202-I304 HydrophobicContact CD2-CD1 4.33Å; L202-I304 HydrophobicContact CD2-CG2 3.57Å; L202-I304 HydrophobicContact CG-CG2 4.03Å; L202-I305 HydrophobicContact CD1-CG1 4.19Å; L202-I305 HydrophobicContact CD2-CG1 4.22Å
203	T	97.1	Very high	95.8	Very high	64 Å²	64	39 Å²	39	39%	0.393	20%	0.201	S	C	.	.	H	α-helix	trans	-109.2	-12.7	177.6	66.3	0	0	0	0	113.9	D199 R205	D199-T203 WeakPolarHBondContact O-CB 3.34Å; D199-T203 WeakPolarHBondContact O-CG2 3.2Å; D199-T203 PolarHBondContact O-N 3.07Å; D199-T203 PolarHBondContact O-OG1 3.4Å; T203-R205 PolarHBondContact O-N 3.21Å; T203-R205 VanDerWaalsContact O-N 3.09Å; T203-R205 WeakPolarHBondContact OG1-CG 3.33Å
204	G	96.6	Very high	95.8	Very high	4 Å²	4	44.3 Å²	44.3	4%	0.041	22%	0.217	C	C	.	.			trans	61.7	14.1	-176.9	0	0	0	0	0	114.8	V171 M200	V171-G204 WeakPolarHBondContact O-CA 3.4Å; M200-G204 PolarHBondContact O-N 3.03Å
205	R	95.6	Very high	95.9	Very high	70 Å²	70	45.4 Å²	45.4	26%	0.264	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-80.3	143.4	-163.1	81	179.2	-168.2	-130.4	-20.4	113.3	D199 T203 I207	D199-R205 IonicContact OD1-CZ 2.78Å; D199-R205 IonicContact OD1-NE 3.95Å; D199-R205 IonicContact OD1-NH1 3.31Å; D199-R205 PolarHBondContact OD1-NH1 3.48Å; D199-R205 IonicContact OD1-NH2 2.79Å; D199-R205 PolarHBondContact OD1-NH2 3.02Å; D199-R205 IonicContact OD2-CZ 2.93Å; D199-R205 IonicContact OD2-NH1 2.76Å; D199-R205 PolarHBondContact OD2-NH1 3.25Å; D199-R205 IonicContact OD2-NH2 3.12Å; T203-R205 PolarHBondContact O-N 3.21Å; T203-R205 VanDerWaalsContact O-N 3.09Å; T203-R205 WeakPolarHBondContact OG1-CG 3.33Å; R205-I207 HydrophobicContact CG-CD1 4.03Å; R205-I207 PolarHBondContact O-N 3.24Å
206	N	96.5	Very high	95.9	Very high	90 Å²	90	42.8 Å²	42.8	48%	0.481	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-70	127.5	172.4	-71.2	-9.3	0	0	0	111.9	L146 V168	L146-N206 WeakPolarHBondContact CD2-OD1 3.31Å; V168-N206 HydrophobicContact CB-CB 4Å; V168-N206 HydrophobicContact CG1-CB 4.11Å
207	I	97.2	Very high	96	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.1	173.6	-51.6	-58.8	0	0	0	109	V168 L169 M200 R205 R211 A212 M215	V168-I207 WeakPolarHBondContact CA-O 3.16Å; L169-I207 PolarHBondContact N-O 2.98Å; L169-I207 WeakPolarHBondContact O-CA 3.25Å; L169-I207 VanDerWaalsContact O-CB 3.27Å; L169-I207 WeakPolarHBondContact O-CB 3.48Å; L169-I207 WeakPolarHBondContact O-CG1 3.45Å; L169-I207 PolarHBondContact O-N 3.25Å; M200-I207 HydrophobicContact CE-CG1 4.41Å; M200-I207 HydrophobicContact CG-CG1 4.42Å; M200-I207 HydrophobicContact SD-CG1 4.46Å; R205-I207 HydrophobicContact CG-CD1 4.03Å; R205-I207 PolarHBondContact O-N 3.24Å; I207-R211 HydrophobicContact CG2-CB 3.91Å; I207-R211 HydrophobicContact CG2-CG 3.95Å; I207-A212 HydrophobicContact CG2-CB 3.97Å; I207-M215 HydrophobicContact CG1-SD 4.49Å; I207-M215 HydrophobicContact CG2-SD 3.84Å
208	R	95.8	Very high	96	Very high	109 Å²	109	41.5 Å²	41.5	41%	0.411	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	147.9	173	-67.5	-61.4	-175.3	-161.2	6.4	111.5	R165 D210 R211 A212	R165-R208 PolarHBondContact O-NH1 2.89Å; R208-D210 VanDerWaalsContact C-N 3.29Å; R208-D210 WeakPolarHBondContact CB-OD1 3.35Å; R208-D210 PolarHBondContact O-N 2.79Å; R208-R211 CarbonylContact O-C 3.54Å; R208-R211 PolarHBondContact O-N 2.93Å; R208-A212 WeakPolarHBondContact O-CB 3.38Å; R208-A212 PolarHBondContact O-N 3.06Å
209	A	95.8	Very high	95.9	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-50.9	-43.4	179.6	0	0	0	0	0	113.7	T162 T167 R211 A212 K213 L221	T162-A209 WeakPolarHBondContact O-CB 3.45Å; T167-A209 HydrophobicContact CG2-CB 4.22Å; A209-R211 PolarHBondContact O-N 3.47Å; A209-A212 PolarHBondContact O-N 3.34Å; A209-K213 PolarHBondContact O-N 3.06Å; A209-L221 HydrophobicContact CB-CD2 3.92Å
210	D	93.9	Very high	95.9	Very high	65 Å²	65	43.3 Å²	43.3	35%	0.348	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-41.6	177.6	89.2	-64.1	0	0	0	112.5	R208 K214	R208-D210 VanDerWaalsContact C-N 3.29Å; R208-D210 WeakPolarHBondContact CB-OD1 3.35Å; R208-D210 PolarHBondContact O-N 2.79Å; D210-K214 WeakPolarHBondContact O-CB 3.41Å; D210-K214 VanDerWaalsContact O-CD 3.31Å; D210-K214 WeakPolarHBondContact O-CD 3.29Å; D210-K214 WeakPolarHBondContact O-CG 3.36Å; D210-K214 PolarHBondContact O-N 2.76Å; D210-K214 VanDerWaalsContact O-N 3.08Å; D210-K214 IonicContact OD2-NZ 2.7Å; D210-K214 PolarHBondContact OD2-NZ 3.48Å
211	R	94.9	Very high	95.9	Very high	120 Å²	120	45.2 Å²	45.2	45%	0.453	21%	0.214	S	C	.	.	H	α-helix	trans	-71	-39.2	176.8	-173.8	175.5	-177.6	-174.2	1.1	111.2	I207 R208 A209 K214 M215	I207-R211 HydrophobicContact CG2-CB 3.91Å; I207-R211 HydrophobicContact CG2-CG 3.95Å; R208-R211 CarbonylContact O-C 3.54Å; R208-R211 PolarHBondContact O-N 2.93Å; A209-R211 PolarHBondContact O-N 3.47Å; R211-K214 PolarHBondContact O-N 3.31Å; R211-M215 VanDerWaalsContact O-CG 3.29Å; R211-M215 WeakPolarHBondContact O-CG 3.39Å; R211-M215 PolarHBondContact O-N 3.18Å
212	A	96.6	Very high	95.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-46.2	176.9	0	0	0	0	0	111.2	L169 I207 R208 A209 M215 G216 L217 V218	L169-A212 HydrophobicContact CD1-CB 3.9Å; I207-A212 HydrophobicContact CG2-CB 3.97Å; R208-A212 WeakPolarHBondContact O-CB 3.38Å; R208-A212 PolarHBondContact O-N 3.06Å; A209-A212 PolarHBondContact O-N 3.34Å; A212-M215 WeakPolarHBondContact O-CG 3.3Å; A212-M215 PolarHBondContact O-N 2.75Å; A212-G216 PolarHBondContact O-N 2.96Å; A212-G216 VanDerWaalsContact O-N 3.1Å; A212-L217 HydrophobicContact CB-CB 4.16Å; A212-L217 HydrophobicContact CB-CD2 4.22Å; A212-L217 PolarHBondContact O-N 3.46Å; A212-V218 HydrophobicContact CB-CB 4.22Å; A212-V218 HydrophobicContact CB-CG2 3.75Å; A212-V218 PolarHBondContact O-N 3.1Å
213	K	95.4	Very high	95.7	Very high	68 Å²	68	50 Å²	50	30%	0.296	24%	0.236	S	C	.	.	H	α-helix	trans	-60.4	-46.7	171.7	172	69.9	-178.8	-170	0	112.2	A209 M215 G216 V218 D219 L221 R260	A209-K213 PolarHBondContact O-N 3.06Å; K213-M215 VanDerWaalsContact C-N 3.34Å; K213-M215 PolarHBondContact O-N 3.31Å; K213-G216 PolarHBondContact O-N 2.86Å; K213-V218 WeakPolarHBondContact CA-O 3.43Å; K213-D219 PolarHBondContact NZ-O 3.23Å; K213-L221 HydrophobicContact CB-CD1 3.61Å; K213-L221 HydrophobicContact CB-CD2 4.23Å; K213-L221 HydrophobicContact CB-CG 3.73Å; K213-L221 HydrophobicContact CD-CG 4.41Å; K213-L221 HydrophobicContact CG-CD1 3.93Å; K213-L221 HydrophobicContact CG-CG 3.97Å; K213-R260 PolarHBondContact O-NH1 3.38Å
214	K	92.7	Very high	95.6	Very high	138 Å²	138	49.5 Å²	49.5	60%	0.6	23%	0.234	S	C	*	.	H	α-helix	trans	-63.3	-35.4	179.3	-72.4	162.8	-169.1	166.3	0	113	D210 R211 R260	D210-K214 WeakPolarHBondContact O-CB 3.41Å; D210-K214 VanDerWaalsContact O-CD 3.31Å; D210-K214 WeakPolarHBondContact O-CD 3.29Å; D210-K214 WeakPolarHBondContact O-CG 3.36Å; D210-K214 PolarHBondContact O-N 2.76Å; D210-K214 VanDerWaalsContact O-N 3.08Å; D210-K214 IonicContact OD2-NZ 2.7Å; D210-K214 PolarHBondContact OD2-NZ 3.48Å; R211-K214 PolarHBondContact O-N 3.31Å; K214-R260 PolarHBondContact O-NH1 3.41Å; K214-R260 PolarHBondContact O-NH2 3.38Å
215	M	92.6	Very high	95.5	Very high	36 Å²	36	52.1 Å²	52.1	18%	0.177	25%	0.247	C	C	.	.	H	α-helix	trans	-87.7	-1.9	176.9	74.9	-169.6	-75.3	0	0	115.1	V192 A196 M200 I207 R211 A212 K213 L217	V192-M215 HydrophobicContact CB-CE 4.02Å; V192-M215 HydrophobicContact CG1-CE 4.12Å; V192-M215 HydrophobicContact CG1-CG 4.35Å; V192-M215 HydrophobicContact CG2-CE 4.1Å; A196-M215 HydrophobicContact CB-CE 3.98Å; M200-M215 HydrophobicContact CE-CE 3.53Å; M200-M215 HydrophobicContact CE-SD 4.41Å; I207-M215 HydrophobicContact CG1-SD 4.49Å; I207-M215 HydrophobicContact CG2-SD 3.84Å; R211-M215 VanDerWaalsContact O-CG 3.29Å; R211-M215 WeakPolarHBondContact O-CG 3.39Å; R211-M215 PolarHBondContact O-N 3.18Å; A212-M215 WeakPolarHBondContact O-CG 3.3Å; A212-M215 PolarHBondContact O-N 2.75Å; K213-M215 VanDerWaalsContact C-N 3.34Å; K213-M215 PolarHBondContact O-N 3.31Å; M215-L217 HydrophobicContact CG-CB 4.03Å
216	G	92.8	Very high	95.4	Very high	15 Å²	15	51 Å²	51	16%	0.155	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	15.9	178.8	0	0	0	0	0	115.1	M191 A212 K213 V218	M191-G216 WeakPolarHBondContact CG-O 3.45Å; A212-G216 PolarHBondContact O-N 2.96Å; A212-G216 VanDerWaalsContact O-N 3.1Å; K213-G216 PolarHBondContact O-N 2.86Å; G216-V218 VanDerWaalsContact C-N 3.34Å
217	L	96.4	Very high	95.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-78.7	-21.7	170.7	-172.2	65.4	0	0	0	112	L150 I154 R159 L169 L188 M191 V192 M200 A212 M215	L150-L217 HydrophobicContact CD1-CD1 4.22Å; L150-L217 HydrophobicContact CD1-CD2 4.39Å; L150-L217 HydrophobicContact CD1-CG 4.36Å; L150-L217 HydrophobicContact CD2-CD1 4.41Å; L150-L217 HydrophobicContact CD2-CD2 4.28Å; I154-L217 HydrophobicContact CG2-CD1 3.99Å; R159-L217 WeakPolarHBondContact CD-O 3.32Å; L169-L217 HydrophobicContact CB-CD2 3.84Å; L169-L217 HydrophobicContact CD2-CD2 4.36Å; L188-L217 HydrophobicContact CD2-CD1 3.59Å; M191-L217 HydrophobicContact SD-CD1 4.15Å; V192-L217 HydrophobicContact CG1-CB 3.88Å; V192-L217 HydrophobicContact CG1-CD1 4.08Å; M200-L217 HydrophobicContact CE-CD1 4.32Å; M200-L217 HydrophobicContact CE-CD2 3.89Å; M200-L217 HydrophobicContact SD-CD2 4.24Å; A212-L217 HydrophobicContact CB-CB 4.16Å; A212-L217 HydrophobicContact CB-CD2 4.22Å; A212-L217 PolarHBondContact O-N 3.46Å; M215-L217 HydrophobicContact CG-CB 4.03Å
218	V	97.1	Very high	95	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	30%	0.3	C	S	.	.			trans	-131.6	131.2	179.4	168.7	0	0	0	0	108.3	A161 L169 A212 K213 G216 Q220 L221	A161-V218 HydrophobicContact CB-CG1 3.85Å; A161-V218 HydrophobicContact CB-CG2 4.17Å; L169-V218 HydrophobicContact CD1-CG2 4.2Å; L169-V218 HydrophobicContact CD2-CG2 3.5Å; A212-V218 HydrophobicContact CB-CB 4.22Å; A212-V218 HydrophobicContact CB-CG2 3.75Å; A212-V218 PolarHBondContact O-N 3.1Å; K213-V218 WeakPolarHBondContact CA-O 3.43Å; G216-V218 VanDerWaalsContact C-N 3.34Å; V218-Q220 WeakPolarHBondContact CG1-O 3.24Å; V218-L221 HydrophobicContact CG1-CD2 3.91Å
219	D	95.9	Very high	95	Very high	29 Å²	29	59.1 Å²	59.1	16%	0.155	33%	0.328	C	S	.	.	S	Bend	trans	-83.1	-32.8	-173.5	-52.4	-80.8	0	0	0	112	Y158 R159 K213	Y158-D219 HydrophobicContact CD1-CB 4.01Å; Y158-D219 HydrophobicContact CD2-CB 3.81Å; Y158-D219 HydrophobicContact CE1-CB 3.73Å; Y158-D219 HydrophobicContact CE2-CB 3.54Å; Y158-D219 HydrophobicContact CG-CB 4.04Å; Y158-D219 VanDerWaalsContact CZ-CB 3.49Å; R159-D219 WeakPolarHBondContact CB-OD2 3.23Å; R159-D219 IonicContact CZ-OD2 2.8Å; R159-D219 PolarHBondContact N-OD2 2.95Å; R159-D219 IonicContact NE-OD2 3.85Å; R159-D219 PolarHBondContact NE-OD2 2.9Å; R159-D219 IonicContact NH2-OD1 2.69Å; R159-D219 PolarHBondContact NH2-OD1 3.35Å; R159-D219 IonicContact NH2-OD2 3.77Å; R159-D219 PolarHBondContact NH2-OD2 3.41Å; R159-D219 PolarHBondContact O-N 2.77Å; K213-D219 PolarHBondContact NZ-O 3.23Å
220	Q	96.3	Very high	94.9	Very high	67 Å²	67	62.6 Å²	62.6	31%	0.313	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.1	175.4	-170.8	61.6	-23.7	0	0	113.9	Y158 R159 I160 A161 V218 F247	Y158-Q220 HydrophobicContact CE1-CB 3.99Å; R159-Q220 PolarHBondContact O-N 3.24Å; I160-Q220 WeakPolarHBondContact CA-O 3.44Å; I160-Q220 HydrophobicContact CG1-CB 4.33Å; I160-Q220 HydrophobicContact CG2-CB 4.47Å; A161-Q220 PolarHBondContact N-O 2.76Å; V218-Q220 WeakPolarHBondContact CG1-O 3.24Å; Q220-F247 HydrophobicContact CG-CE1 4.43Å; Q220-F247 HydrophobicContact CG-CZ 3.99Å
221	L	97.3	Very high	95	Very high	40 Å²	40	63.2 Å²	63.2	21%	0.209	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.6	174.1	-65.9	178.9	0	0	0	111.9	A161 A209 K213 V218	A161-L221 HydrophobicContact CB-CD2 4.01Å; A161-L221 VanDerWaalsContact O-CA 3.32Å; A161-L221 WeakPolarHBondContact O-CA 3.27Å; A161-L221 WeakPolarHBondContact O-CD2 3.33Å; A209-L221 HydrophobicContact CB-CD2 3.92Å; K213-L221 HydrophobicContact CB-CD1 3.61Å; K213-L221 HydrophobicContact CB-CD2 4.23Å; K213-L221 HydrophobicContact CB-CG 3.73Å; K213-L221 HydrophobicContact CD-CG 4.41Å; K213-L221 HydrophobicContact CG-CD1 3.93Å; K213-L221 HydrophobicContact CG-CG 3.97Å; V218-L221 HydrophobicContact CG1-CD2 3.91Å
222	V	97.4	Very high	94.9	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.067	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.4	169.9	177.5	0	0	0	0	107.7	I160 A161 T162 K163 Y239 L240 V243	I160-V222 HydrophobicContact CG2-CG2 3.73Å; A161-V222 PolarHBondContact O-N 2.83Å; T162-V222 CarbonylContact C-O 3.57Å; T162-V222 WeakPolarHBondContact CA-O 3.21Å; K163-V222 PolarHBondContact N-O 3.49Å; V222-Y239 HydrophobicContact CG1-CD1 3.71Å; V222-Y239 HydrophobicContact CG1-CE1 3.62Å; V222-L240 HydrophobicContact CB-CD1 4.41Å; V222-L240 HydrophobicContact CG2-CD1 4.25Å; V222-V243 HydrophobicContact CG2-CB 4.28Å; V222-V243 HydrophobicContact CG2-CG1 3.86Å; V222-V243 HydrophobicContact CG2-CG2 4.38Å
223	E	96.3	Very high	94.7	Very high	119 Å²	119	63.5 Å²	63.5	56%	0.556	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-83.4	141.3	174.6	-50.8	-142.3	176.9	0	0	109.9	K163	K163-E223 HydrophobicContact CB-CG 4.44Å; K163-E223 HydrophobicContact CD-CG 3.74Å; K163-E223 VanDerWaalsContact CD-OE1 3.24Å; K163-E223 WeakPolarHBondContact CD-OE1 3.47Å; K163-E223 WeakPolarHBondContact CE-OE1 3.41Å; K163-E223 IonicContact NZ-OE1 2.84Å; K163-E223 PolarHBondContact NZ-OE1 3.38Å; K163-E223 IonicContact NZ-OE2 3.61Å; K163-E223 PolarHBondContact NZ-OE2 3.32Å
224	P	94.6	Very high	94.6	Very high	54 Å²	54	64 Å²	64	35%	0.351	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-63.4	144.4	177.3	27.9	-34.4	0	0	0	110.8	T236	P224-T236 HydrophobicContact CB-CG2 4.05Å
225	L	94.9	Very high	94.8	Very high	59 Å²	59	60.3 Å²	60.3	31%	0.309	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-85.7	152.5	-178	-62.9	-177	0	0	0	111.8	R235 T236 Y239	L225-R235 HydrophobicContact CD1-CG 3.99Å; L225-T236 PolarHBondContact N-OG1 2.85Å; L225-Y239 HydrophobicContact CD1-CD1 3.69Å; L225-Y239 HydrophobicContact CD1-CD2 4.46Å; L225-Y239 HydrophobicContact CD1-CG 3.66Å; L225-Y239 HydrophobicContact CD2-CD1 3.93Å; L225-Y239 HydrophobicContact CD2-CE1 4.08Å; L225-Y239 HydrophobicContact CG-CD1 3.84Å; L225-Y239 HydrophobicContact CG-CE1 4.49Å; L225-Y239 HydrophobicContact CG-CG 4.33Å
226	G	93.9	Very high	95	Very high	47 Å²	47	59 Å²	59	49%	0.485	34%	0.34	S	S	.	.			trans	-76	-173.4	171.5	0	0	0	0	0	113.4
227	P	93.1	Very high	95.1	Very high	123 Å²	123	59.7 Å²	59.7	80%	0.799	34%	0.34	S	S	*	.	S	Bend	trans	-58.6	148.1	174.2	-22.9	34.4	0	0	0	113.3	P232	P227-P232 HydrophobicContact CB-CG 4.48Å; P227-P232 HydrophobicContact CG-CG 4.18Å
228	G	92	Very high	95.1	Very high	56 Å²	56	62.3 Å²	62.3	58%	0.577	35%	0.353	S	S	*	.	S	Bend	trans	-162.8	-150.6	175.7	0	0	0	0	0	110.7	K230	G228-K230 PolarHBondContact O-N 3.16Å; G228-K230 VanDerWaalsContact O-N 3.08Å
229	L	94.1	Very high	95.1	Very high	190 Å²	190	66.4 Å²	66.4	100%	0.995	37%	0.368	S	S	*	.	S	Bend	trans	-60.6	-17.7	177.9	-61.4	178.5	0	0	0	114.2
230	K	95.3	Very high	95.2	Very high	76 Å²	76	65 Å²	65	33%	0.33	36%	0.361	S	S	.	.	S	Bend	trans	-130.2	158.3	177.5	-76.6	-177.3	163.8	-150.1	0	110.1	G228 E234 R235 E238	G228-K230 PolarHBondContact O-N 3.16Å; G228-K230 VanDerWaalsContact O-N 3.08Å; K230-E234 HydrophobicContact CD-CG 4.34Å; K230-E234 WeakPolarHBondContact CD-OE1 3.44Å; K230-E234 VanDerWaalsContact CE-OE1 3.3Å; K230-E234 WeakPolarHBondContact CE-OE1 3.34Å; K230-E234 IonicContact NZ-OE1 2.76Å; K230-E234 PolarHBondContact NZ-OE1 3.35Å; K230-R235 HydrophobicContact CB-CB 4.18Å; K230-E238 WeakPolarHBondContact CD-OE1 3.46Å; K230-E238 WeakPolarHBondContact CE-OE1 3.44Å; K230-E238 IonicContact NZ-OE1 2.74Å; K230-E238 PolarHBondContact NZ-OE1 2.74Å
231	P	94.8	Very high	95.3	Very high	77 Å²	77	62.6 Å²	62.6	50%	0.5	35%	0.35	S	S	.	.			trans	-52.2	143.9	174.5	-26.6	35	0	0	0	112.5	E233 E234 R235	P231-E233 VanDerWaalsContact C-N 3.3Å; P231-E233 PolarHBondContact O-N 2.85Å; P231-E233 VanDerWaalsContact O-N 3.17Å; P231-E234 HydrophobicContact CB-CB 4.39Å; P231-E234 WeakPolarHBondContact CD-OE2 3.35Å; P231-E234 PolarHBondContact O-N 3.2Å; P231-R235 PolarHBondContact O-N 3.29Å
232	P	93.8	Very high	95.3	Very high	58 Å²	58	64.4 Å²	64.4	38%	0.377	36%	0.357	S	S	.	.	H	α-helix	trans	-53.2	-41.3	-174.6	-28.4	33.1	0	0	0	114.5	P227 T236	P227-P232 HydrophobicContact CB-CG 4.48Å; P227-P232 HydrophobicContact CG-CG 4.18Å; P232-T236 WeakPolarHBondContact O-CB 3.49Å; P232-T236 PolarHBondContact O-N 3.04Å; P232-T236 PolarHBondContact O-OG1 3.35Å
233	E	91.8	Very high	95.3	Very high	68 Å²	68	64.9 Å²	64.9	32%	0.318	36%	0.36	S	S	.	.	H	α-helix	trans	-71.8	-34.8	-179.3	-171.3	155	-150.9	0	0	112.1	P95 G96 K166 P231 M237	P95-E233 HydrophobicContact CB-CG 3.93Å; G96-E233 PolarHBondContact N-OE1 3.43Å; G96-E233 VanDerWaalsContact N-OE1 3.13Å; K166-E233 IonicContact NZ-OE1 2.73Å; K166-E233 PolarHBondContact NZ-OE1 3.48Å; K166-E233 IonicContact NZ-OE2 2.73Å; K166-E233 PolarHBondContact NZ-OE2 3.36Å; P231-E233 VanDerWaalsContact C-N 3.3Å; P231-E233 PolarHBondContact O-N 2.85Å; P231-E233 VanDerWaalsContact O-N 3.17Å; E233-M237 WeakPolarHBondContact O-CG 3.47Å; E233-M237 PolarHBondContact O-N 2.88Å
234	E	94.4	Very high	95.4	Very high	78 Å²	78	59.2 Å²	59.2	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-69.2	-51.7	174	-171.5	-175.5	161.6	0	0	110.9	K230 P231 T236 M237 E238	K230-E234 HydrophobicContact CD-CG 4.34Å; K230-E234 WeakPolarHBondContact CD-OE1 3.44Å; K230-E234 VanDerWaalsContact CE-OE1 3.3Å; K230-E234 WeakPolarHBondContact CE-OE1 3.34Å; K230-E234 IonicContact NZ-OE1 2.76Å; K230-E234 PolarHBondContact NZ-OE1 3.35Å; P231-E234 HydrophobicContact CB-CB 4.39Å; P231-E234 WeakPolarHBondContact CD-OE2 3.35Å; P231-E234 PolarHBondContact O-N 3.2Å; E234-T236 VanDerWaalsContact C-N 3.25Å; E234-T236 PolarHBondContact O-N 2.76Å; E234-M237 PolarHBondContact O-N 3.36Å; E234-E238 PolarHBondContact O-N 3.16Å
235	R	96	Very high	95.6	Very high	62 Å²	62	57.6 Å²	57.6	23%	0.234	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-30.9	179.9	-176.8	59.4	-149.1	142.2	7.2	112.5	L225 K230 P231 E238 Y239 E242	L225-R235 HydrophobicContact CD1-CG 3.99Å; K230-R235 HydrophobicContact CB-CB 4.18Å; P231-R235 PolarHBondContact O-N 3.29Å; R235-E238 WeakPolarHBondContact CD-OE2 3.44Å; R235-E238 IonicContact CZ-OE2 3.73Å; R235-E238 VanDerWaalsContact NH1-CB 3.26Å; R235-E238 IonicContact NH1-OE2 3.05Å; R235-E238 PolarHBondContact NH1-OE2 3.04Å; R235-Y239 WeakPolarHBondContact O-CB 3.32Å; R235-Y239 PolarHBondContact O-N 2.73Å; R235-E242 IonicContact CZ-OE1 3.24Å; R235-E242 IonicContact CZ-OE2 2.82Å; R235-E242 IonicContact NH1-OE1 3.82Å; R235-E242 PolarHBondContact NH1-OE1 3.47Å; R235-E242 IonicContact NH1-OE2 2.86Å; R235-E242 VanDerWaalsContact NH2-CD 3.33Å; R235-E242 IonicContact NH2-OE1 3.01Å; R235-E242 PolarHBondContact NH2-OE1 2.81Å; R235-E242 VanDerWaalsContact NH2-OE1 3.15Å; R235-E242 IonicContact NH2-OE2 3.81Å; R235-E242 PolarHBondContact NH2-OE2 2.63Å
236	T	96	Very high	95.7	Very high	7 Å²	7	59 Å²	59	4%	0.043	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-39.8	171.4	-64.7	0	0	0	0	112	T162 P224 L225 P232 E234 L240	T162-T236 HydrophobicContact CG2-CG2 3.91Å; P224-T236 HydrophobicContact CB-CG2 4.05Å; L225-T236 PolarHBondContact N-OG1 2.85Å; P232-T236 WeakPolarHBondContact O-CB 3.49Å; P232-T236 PolarHBondContact O-N 3.04Å; P232-T236 PolarHBondContact O-OG1 3.35Å; E234-T236 VanDerWaalsContact C-N 3.25Å; E234-T236 PolarHBondContact O-N 2.76Å; T236-L240 VanDerWaalsContact O-CB 3.32Å; T236-L240 WeakPolarHBondContact O-CB 3.49Å; T236-L240 PolarHBondContact O-N 3.27Å
237	M	95.3	Very high	95.8	Very high	30 Å²	30	58.7 Å²	58.7	15%	0.148	32%	0.318	C	S	.	.	H	α-helix	trans	-68.4	-40.1	176.3	-72.2	-174.5	-61.5	0	0	112.1	P95 N142 E233 E234 L240 E241	P95-M237 HydrophobicContact CB-CE 4.35Å; N142-M237 WeakPolarHBondContact ND2-CG 3.38Å; N142-M237 PolarHBondContact ND2-SD 3.41Å; N142-M237 VanDerWaalsContact ND2-SD 3.4Å; E233-M237 WeakPolarHBondContact O-CG 3.47Å; E233-M237 PolarHBondContact O-N 2.88Å; E234-M237 PolarHBondContact O-N 3.36Å; M237-L240 PolarHBondContact O-N 2.96Å; M237-E241 PolarHBondContact O-N 2.98Å
238	E	96	Very high	96	Very high	56 Å²	56	52.8 Å²	52.8	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-47.8	172.3	-66.9	-177	150.5	0	0	112	K230 E234 R235 L240 E241 E242	K230-E238 WeakPolarHBondContact CD-OE1 3.46Å; K230-E238 WeakPolarHBondContact CE-OE1 3.44Å; K230-E238 IonicContact NZ-OE1 2.74Å; K230-E238 PolarHBondContact NZ-OE1 2.74Å; E234-E238 PolarHBondContact O-N 3.16Å; R235-E238 WeakPolarHBondContact CD-OE2 3.44Å; R235-E238 IonicContact CZ-OE2 3.73Å; R235-E238 VanDerWaalsContact NH1-CB 3.26Å; R235-E238 IonicContact NH1-OE2 3.05Å; R235-E238 PolarHBondContact NH1-OE2 3.04Å; E238-L240 VanDerWaalsContact C-N 3.32Å; E238-L240 PolarHBondContact O-N 2.78Å; E238-E241 WeakPolarHBondContact O-CA 3.17Å; E238-E241 WeakPolarHBondContact O-CB 3.43Å; E238-E241 PolarHBondContact O-N 3.45Å; E238-E242 WeakPolarHBondContact O-CG 3.22Å; E238-E242 PolarHBondContact O-N 3.46Å
239	Y	97.7	Very high	96.2	Very high	88 Å²	88	53.6 Å²	53.6	35%	0.345	27%	0.268	S	S	.	.	H	α-helix	trans	-65.3	-34.9	179.1	-177.3	-124	0	0	0	112.4	V222 L225 R235 E241 E242 V243	V222-Y239 HydrophobicContact CG1-CD1 3.71Å; V222-Y239 HydrophobicContact CG1-CE1 3.62Å; L225-Y239 HydrophobicContact CD1-CD1 3.69Å; L225-Y239 HydrophobicContact CD1-CD2 4.46Å; L225-Y239 HydrophobicContact CD1-CG 3.66Å; L225-Y239 HydrophobicContact CD2-CD1 3.93Å; L225-Y239 HydrophobicContact CD2-CE1 4.08Å; L225-Y239 HydrophobicContact CG-CD1 3.84Å; L225-Y239 HydrophobicContact CG-CE1 4.49Å; L225-Y239 HydrophobicContact CG-CG 4.33Å; R235-Y239 WeakPolarHBondContact O-CB 3.32Å; R235-Y239 PolarHBondContact O-N 2.73Å; Y239-E241 VanDerWaalsContact C-N 3.33Å; Y239-E242 PolarHBondContact O-N 2.85Å; Y239-V243 HydrophobicContact CD2-CG2 4.2Å; Y239-V243 HydrophobicContact CE1-CG2 4.28Å; Y239-V243 HydrophobicContact CE2-CG2 3.82Å; Y239-V243 WeakPolarHBondContact O-CB 3.41Å; Y239-V243 VanDerWaalsContact O-CG2 3.29Å; Y239-V243 WeakPolarHBondContact O-CG2 3.17Å; Y239-V243 PolarHBondContact O-N 3.47Å
240	L	97.9	Very high	96.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-39.4	170.5	-176.8	69.1	0	0	0	111.6	I91 A140 N142 I160 T162 V222 T236 M237 E238 A244	I91-L240 HydrophobicContact CD1-CB 4.43Å; I91-L240 HydrophobicContact CD1-CD2 4.21Å; I91-L240 HydrophobicContact CD1-CG 4.33Å; A140-L240 HydrophobicContact CB-CD2 4.17Å; A140-L240 HydrophobicContact CB-CG 4.08Å; N142-L240 HydrophobicContact CB-CD2 3.94Å; I160-L240 HydrophobicContact CG2-CD1 3.95Å; T162-L240 HydrophobicContact CG2-CD1 4.25Å; T162-L240 HydrophobicContact CG2-CD2 4.06Å; V222-L240 HydrophobicContact CB-CD1 4.41Å; V222-L240 HydrophobicContact CG2-CD1 4.25Å; T236-L240 VanDerWaalsContact O-CB 3.32Å; T236-L240 WeakPolarHBondContact O-CB 3.49Å; T236-L240 PolarHBondContact O-N 3.27Å; M237-L240 PolarHBondContact O-N 2.96Å; E238-L240 VanDerWaalsContact C-N 3.32Å; E238-L240 PolarHBondContact O-N 2.78Å; L240-A244 WeakPolarHBondContact O-CB 3.46Å; L240-A244 PolarHBondContact O-N 3.5Å
241	E	98	Very high	96.3	Very high	16 Å²	16	42.2 Å²	42.2	8%	0.075	21%	0.213	C	C	.	.	H	α-helix	trans	-64.7	-47.2	174.4	-159.8	-170	103.3	0	0	111.4	K46 V51 R53 I91 M237 E238 Y239 V243 A244 I245	K46-E241 WeakPolarHBondContact CE-OE1 3.3Å; K46-E241 IonicContact NZ-OE1 3.96Å; K46-E241 PolarHBondContact NZ-OE1 3.35Å; V51-E241 HydrophobicContact CG1-CG 3.86Å; R53-E241 IonicContact CZ-OE1 2.69Å; R53-E241 IonicContact CZ-OE2 3.65Å; R53-E241 VanDerWaalsContact CZ-OE2 3.22Å; R53-E241 IonicContact NE-OE2 3.4Å; R53-E241 PolarHBondContact NE-OE2 2.99Å; R53-E241 IonicContact NH2-OE1 3.22Å; R53-E241 PolarHBondContact NH2-OE1 2.86Å; R53-E241 IonicContact NH2-OE2 2.69Å; R53-E241 PolarHBondContact NH2-OE2 3.3Å; I91-E241 HydrophobicContact CD1-CB 3.78Å; I91-E241 HydrophobicContact CD1-CG 4.23Å; M237-E241 PolarHBondContact O-N 2.98Å; E238-E241 WeakPolarHBondContact O-CA 3.17Å; E238-E241 WeakPolarHBondContact O-CB 3.43Å; E238-E241 PolarHBondContact O-N 3.45Å; Y239-E241 VanDerWaalsContact C-N 3.33Å; E241-V243 PolarHBondContact O-N 2.82Å; E241-A244 PolarHBondContact O-N 3.3Å; E241-I245 HydrophobicContact CG-CD1 4.07Å; E241-I245 WeakPolarHBondContact O-CB 3.36Å; E241-I245 WeakPolarHBondContact O-CD1 3.49Å; E241-I245 VanDerWaalsContact O-CG1 3.22Å; E241-I245 WeakPolarHBondContact O-CG1 3.36Å; E241-I245 PolarHBondContact O-N 3.41Å
242	E	97.8	Very high	96.3	Very high	78 Å²	78	39.4 Å²	39.4	36%	0.364	20%	0.197	S	C	.	.	H	α-helix	trans	-57.5	-49.1	176.6	-70.6	158.9	-159.2	0	0	111.7	R235 E238 Y239 I245 T246	R235-E242 IonicContact CZ-OE1 3.24Å; R235-E242 IonicContact CZ-OE2 2.82Å; R235-E242 IonicContact NH1-OE1 3.82Å; R235-E242 PolarHBondContact NH1-OE1 3.47Å; R235-E242 IonicContact NH1-OE2 2.86Å; R235-E242 VanDerWaalsContact NH2-CD 3.33Å; R235-E242 IonicContact NH2-OE1 3.01Å; R235-E242 PolarHBondContact NH2-OE1 2.81Å; R235-E242 VanDerWaalsContact NH2-OE1 3.15Å; R235-E242 IonicContact NH2-OE2 3.81Å; R235-E242 PolarHBondContact NH2-OE2 2.63Å; E238-E242 WeakPolarHBondContact O-CG 3.22Å; E238-E242 PolarHBondContact O-N 3.46Å; Y239-E242 PolarHBondContact O-N 2.85Å; E242-I245 PolarHBondContact O-N 3.02Å; E242-T246 PolarHBondContact O-N 3.25Å; E242-T246 VanDerWaalsContact O-N 3.11Å
243	V	98	Very high	96.3	Very high	21 Å²	21	39.6 Å²	39.6	13%	0.127	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-46.1	175.5	172.9	0	0	0	0	110.4	I160 V222 Y239 E241 I245 T246 F247	I160-V243 HydrophobicContact CD1-CG1 4.24Å; V222-V243 HydrophobicContact CG2-CB 4.28Å; V222-V243 HydrophobicContact CG2-CG1 3.86Å; V222-V243 HydrophobicContact CG2-CG2 4.38Å; Y239-V243 HydrophobicContact CD2-CG2 4.2Å; Y239-V243 HydrophobicContact CE1-CG2 4.28Å; Y239-V243 HydrophobicContact CE2-CG2 3.82Å; Y239-V243 WeakPolarHBondContact O-CB 3.41Å; Y239-V243 VanDerWaalsContact O-CG2 3.29Å; Y239-V243 WeakPolarHBondContact O-CG2 3.17Å; Y239-V243 PolarHBondContact O-N 3.47Å; E241-V243 PolarHBondContact O-N 2.82Å; V243-I245 VanDerWaalsContact C-N 3.31Å; V243-I245 PolarHBondContact O-N 3.31Å; V243-T246 PolarHBondContact O-N 3Å; V243-T246 PolarHBondContact O-OG1 3.41Å; V243-F247 HydrophobicContact CG1-CD2 3.92Å; V243-F247 HydrophobicContact CG1-CE2 3.97Å; V243-F247 WeakPolarHBondContact O-CD2 3.33Å; V243-F247 PolarHBondContact O-N 3.4Å
244	A	97.9	Very high	96.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-37.4	178.4	0	0	0	0	0	113.1	V89 V138 A140 L240 E241 F247 A248	V89-A244 HydrophobicContact CB-CB 4.44Å; V89-A244 HydrophobicContact CG1-CB 3.61Å; V89-A244 HydrophobicContact CG2-CB 3.91Å; V138-A244 HydrophobicContact CG1-CB 4.04Å; A140-A244 HydrophobicContact CB-CB 3.92Å; L240-A244 WeakPolarHBondContact O-CB 3.46Å; L240-A244 PolarHBondContact O-N 3.5Å; E241-A244 PolarHBondContact O-N 3.3Å; A244-F247 PolarHBondContact O-N 3.12Å; A244-A248 WeakPolarHBondContact O-CB 3.34Å; A244-A248 PolarHBondContact O-N 2.94Å
245	I	98.2	Very high	96	Very high	19 Å²	19	49.1 Å²	49.1	10%	0.097	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-44.3	174.9	-70.2	162.2	0	0	0	111.1	K46 V49 V51 V89 E241 E242 V243 F247 A248 K249	K46-I245 HydrophobicContact CB-CD1 4.36Å; K46-I245 HydrophobicContact CD-CD1 3.56Å; V49-I245 HydrophobicContact CB-CG2 4.46Å; V49-I245 HydrophobicContact CG1-CG1 4.3Å; V49-I245 HydrophobicContact CG1-CG2 4.48Å; V49-I245 HydrophobicContact CG2-CG2 4.27Å; V51-I245 HydrophobicContact CG2-CD1 3.99Å; V51-I245 HydrophobicContact CG2-CG1 4.16Å; V89-I245 HydrophobicContact CG2-CG1 4.06Å; E241-I245 HydrophobicContact CG-CD1 4.07Å; E241-I245 WeakPolarHBondContact O-CB 3.36Å; E241-I245 WeakPolarHBondContact O-CD1 3.49Å; E241-I245 VanDerWaalsContact O-CG1 3.22Å; E241-I245 WeakPolarHBondContact O-CG1 3.36Å; E241-I245 PolarHBondContact O-N 3.41Å; E242-I245 PolarHBondContact O-N 3.02Å; V243-I245 VanDerWaalsContact C-N 3.31Å; V243-I245 PolarHBondContact O-N 3.31Å; I245-F247 VanDerWaalsContact C-N 3.34Å; I245-F247 PolarHBondContact O-N 2.97Å; I245-A248 PolarHBondContact O-N 3.11Å; I245-K249 WeakPolarHBondContact O-CG 3.42Å; I245-K249 PolarHBondContact O-N 3.43Å
246	T	97.4	Very high	95.4	Very high	89 Å²	89	48.4 Å²	48.4	55%	0.546	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-39.2	177.5	59.1	0	0	0	0	112.5	E242 V243 G250	E242-T246 PolarHBondContact O-N 3.25Å; E242-T246 VanDerWaalsContact O-N 3.11Å; V243-T246 PolarHBondContact O-N 3Å; V243-T246 PolarHBondContact O-OG1 3.41Å; T246-G250 PolarHBondContact O-N 2.95Å
247	F	97	Very high	94.3	Very high	40 Å²	40	51.9 Å²	51.9	18%	0.175	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-40	173.2	-85.9	-101.7	0	0	0	112.4	Y158 I160 Q220 V243 A244 I245 K249 G250 L251 I256	Y158-F247 AromaticContact CD1-CD1 3.95Å; Y158-F247 HydrophobicContact CD1-CD1 3.95Å; Y158-F247 AromaticContact CE1-CD1 3.34Å; Y158-F247 HydrophobicContact CE1-CD1 3.34Å; Y158-F247 AromaticContact CE1-CE1 3.59Å; Y158-F247 HydrophobicContact CE1-CE1 3.59Å; Y158-F247 HydrophobicContact CE1-CG 4.32Å; Y158-F247 AromaticContact CZ-CD1 3.87Å; Y158-F247 AromaticContact CZ-CE1 3.86Å; I160-F247 HydrophobicContact CD1-CB 3.81Å; I160-F247 HydrophobicContact CD1-CD1 4.21Å; I160-F247 HydrophobicContact CD1-CD2 3.84Å; I160-F247 HydrophobicContact CD1-CE2 4.48Å; I160-F247 HydrophobicContact CD1-CG 3.67Å; Q220-F247 HydrophobicContact CG-CE1 4.43Å; Q220-F247 HydrophobicContact CG-CZ 3.99Å; V243-F247 HydrophobicContact CG1-CD2 3.92Å; V243-F247 HydrophobicContact CG1-CE2 3.97Å; V243-F247 WeakPolarHBondContact O-CD2 3.33Å; V243-F247 PolarHBondContact O-N 3.4Å; A244-F247 PolarHBondContact O-N 3.12Å; I245-F247 VanDerWaalsContact C-N 3.34Å; I245-F247 PolarHBondContact O-N 2.97Å; F247-K249 PolarHBondContact O-N 3.4Å; F247-G250 PolarHBondContact O-N 2.66Å; F247-L251 WeakPolarHBondContact O-CD1 3.42Å; F247-L251 VanDerWaalsContact O-CG 3.27Å; F247-L251 WeakPolarHBondContact O-CG 3.07Å; F247-L251 PolarHBondContact O-N 2.8Å; F247-I256 HydrophobicContact CB-CD1 4.4Å; F247-I256 HydrophobicContact CD1-CD1 3.69Å; F247-I256 HydrophobicContact CD1-CG2 4.46Å; F247-I256 HydrophobicContact CE1-CD1 4.14Å; F247-I256 HydrophobicContact CG-CD1 4.09Å
248	A	97	Very high	93	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-46.3	177.1	0	0	0	0	0	111.9	V49 S87 V89 V138 A244 I245 L251 A252	V49-A248 HydrophobicContact CG1-CB 4.03Å; S87-A248 PolarHBondContact OG-O 2.86Å; V89-A248 HydrophobicContact CG2-CB 4.01Å; V138-A248 HydrophobicContact CG2-CB 3.81Å; A244-A248 WeakPolarHBondContact O-CB 3.34Å; A244-A248 PolarHBondContact O-N 2.94Å; I245-A248 PolarHBondContact O-N 3.11Å; A248-L251 PolarHBondContact O-N 3.32Å; A248-A252 PolarHBondContact O-N 3.48Å
249	K	96.8	Very high	91.7	Very high	73 Å²	73	60 Å²	60	32%	0.317	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-44.9	173.1	-65.6	-171.4	-179.4	-152.1	0	112.4	D48 V49 I245 F247 L251 A252 D253	D48-K249 WeakPolarHBondContact OD1-CE 3.43Å; D48-K249 IonicContact OD1-NZ 2.82Å; D48-K249 PolarHBondContact OD1-NZ 2.73Å; D48-K249 VanDerWaalsContact OD1-NZ 3.07Å; V49-K249 HydrophobicContact CG2-CD 4.12Å; V49-K249 HydrophobicContact CG2-CG 3.5Å; V49-K249 VanDerWaalsContact CG2-CG 3.5Å; I245-K249 WeakPolarHBondContact O-CG 3.42Å; I245-K249 PolarHBondContact O-N 3.43Å; F247-K249 PolarHBondContact O-N 3.4Å; K249-L251 PolarHBondContact O-N 2.63Å; K249-A252 PolarHBondContact O-N 3.26Å; K249-D253 PolarHBondContact O-N 3.36Å
250	G	95.8	Very high	90.4	Very high	10 Å²	10	60.9 Å²	60.9	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-61.5	-29.5	177.2	0	0	0	0	0	113.9	T246 F247 K254 K255 I256	T246-G250 PolarHBondContact O-N 2.95Å; F247-G250 PolarHBondContact O-N 2.66Å; G250-K254 PolarHBondContact O-N 3.02Å; G250-K255 PolarHBondContact O-N 2.86Å; G250-I256 PolarHBondContact O-N 2.62Å
251	L	94.9	Very high	89	Confident	16 Å²	16	68.4 Å²	68.4	8%	0.084	34%	0.343	C	S	.	.	H	α-helix	trans	-77.7	-42.4	173.4	-69.1	160.6	0	0	0	112	P136 V138 Y158 F247 A248 K249 D253 K254 I256	P136-L251 HydrophobicContact CB-CB 3.74Å; P136-L251 HydrophobicContact CG-CB 4.12Å; V138-L251 HydrophobicContact CG2-CD1 3.73Å; Y158-L251 HydrophobicContact CD2-CD1 4.44Å; Y158-L251 HydrophobicContact CD2-CD2 4.39Å; Y158-L251 HydrophobicContact CG-CD1 4.08Å; F247-L251 WeakPolarHBondContact O-CD1 3.42Å; F247-L251 VanDerWaalsContact O-CG 3.27Å; F247-L251 WeakPolarHBondContact O-CG 3.07Å; F247-L251 PolarHBondContact O-N 2.8Å; A248-L251 PolarHBondContact O-N 3.32Å; K249-L251 PolarHBondContact O-N 2.63Å; L251-D253 VanDerWaalsContact C-N 3.32Å; L251-D253 PolarHBondContact O-N 3.01Å; L251-K254 WeakPolarHBondContact O-CA 3.49Å; L251-K254 PolarHBondContact O-N 2.98Å; L251-I256 HydrophobicContact CD2-CB 4.14Å; L251-I256 HydrophobicContact CD2-CG2 4.06Å; L251-I256 HydrophobicContact CG-CB 4.33Å; L251-I256 HydrophobicContact CG-CG2 4.49Å
252	A	94.4	Very high	88	Confident	18 Å²	18	71.4 Å²	71.4	15%	0.149	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-41.1	175.9	0	0	0	0	0	112.3	R86 A248 K249 K254	R86-A252 HydrophobicContact CB-CB 4.22Å; A248-A252 PolarHBondContact O-N 3.48Å; K249-A252 PolarHBondContact O-N 3.26Å; A252-K254 PolarHBondContact O-N 3.38Å
253	D	94.6	Very high	87	Confident	63 Å²	63	69.6 Å²	69.6	34%	0.337	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	2.3	175	-73.5	-3.7	0	0	0	113.7	R86 K249 L251 K255	R86-D253 IonicContact CZ-OD1 2.88Å; R86-D253 IonicContact NH1-OD1 3.07Å; R86-D253 PolarHBondContact NH1-OD1 2.99Å; R86-D253 IonicContact NH2-OD1 3.41Å; R86-D253 PolarHBondContact NH2-OD1 3.27Å; K249-D253 PolarHBondContact O-N 3.36Å; L251-D253 VanDerWaalsContact C-N 3.32Å; L251-D253 PolarHBondContact O-N 3.01Å; D253-K255 HydrophobicContact CB-CD 3.69Å; D253-K255 HydrophobicContact CB-CG 3.95Å; D253-K255 PolarHBondContact O-N 3.25Å; D253-K255 IonicContact OD2-NZ 3.71Å; D253-K255 PolarHBondContact OD2-NZ 3.18Å
254	K	91.4	Very high	86.2	Confident	186 Å²	186	75.3 Å²	75.3	81%	0.809	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	17	-177.6	-55.3	176.7	-177	173.8	0	114.8	G250 L251 A252	G250-K254 PolarHBondContact O-N 3.02Å; L251-K254 WeakPolarHBondContact O-CA 3.49Å; L251-K254 PolarHBondContact O-N 2.98Å; A252-K254 PolarHBondContact O-N 3.38Å
255	K	88.9	Confident	85.5	Confident	160 Å²	160	80.6 Å²	80.6	70%	0.696	42%	0.419	S	S	*	.			trans	-73.6	-27.3	177.1	-67.6	164.8	-177.7	160.4	0	112.2	G250 D253	G250-K255 PolarHBondContact O-N 2.86Å; D253-K255 HydrophobicContact CB-CD 3.69Å; D253-K255 HydrophobicContact CB-CG 3.95Å; D253-K255 PolarHBondContact O-N 3.25Å; D253-K255 IonicContact OD2-NZ 3.71Å; D253-K255 PolarHBondContact OD2-NZ 3.18Å
256	I	82.4	Confident	84.7	Confident	46 Å²	46	82 Å²	82	24%	0.236	43%	0.425	C	S	.	.	S	Bend	trans	-105.8	125.3	176.9	-59.7	178.5	0	0	0	109.2	Y158 F247 G250 L251	Y158-I256 HydrophobicContact CE2-CG2 4.4Å; F247-I256 HydrophobicContact CB-CD1 4.4Å; F247-I256 HydrophobicContact CD1-CD1 3.69Å; F247-I256 HydrophobicContact CD1-CG2 4.46Å; F247-I256 HydrophobicContact CE1-CD1 4.14Å; F247-I256 HydrophobicContact CG-CD1 4.09Å; G250-I256 PolarHBondContact O-N 2.62Å; L251-I256 HydrophobicContact CD2-CB 4.14Å; L251-I256 HydrophobicContact CD2-CG2 4.06Å; L251-I256 HydrophobicContact CG-CB 4.33Å; L251-I256 HydrophobicContact CG-CG2 4.49Å
257	S	73.9	Confident	84	Confident	80 Å²	80	83.6 Å²	83.6	56%	0.559	43%	0.425	S	S	*	.			trans	-91.1	131.4	171.9	179.8	0	0	0	0	110.7	K259	S257-K259 PolarHBondContact O-N 2.87Å; S257-K259 PolarHBondContact OG-N 3.43Å
258	P	67.9	Low	83.5	Confident	73 Å²	73	87.4 Å²	87.4	47%	0.474	45%	0.446	S	S	.	.			trans	-74.5	-3.2	171.4	31.4	-35.2	0	0	0	113.1	Y158 R260	Y158-P258 HydrophobicContact CD2-CB 4.39Å; P258-R260 PolarHBondContact O-N 3.12Å
259	K	68.8	Low	82.8	Confident	183 Å²	183	91.2 Å²	91.2	80%	0.796	47%	0.47	S	S	*	.			trans	-81.1	109.3	-179	-66	-175.5	179.1	178.2	0	111.6	S257	S257-K259 PolarHBondContact O-N 2.87Å; S257-K259 PolarHBondContact OG-N 3.43Å
260	R	70.5	Confident	82.2	Confident	108 Å²	108	90 Å²	90	41%	0.408	47%	0.473	S	S	.	.			trans	-71.9	136.4	168.9	165.2	176.7	153.8	164.8	-9.3	112	K213 K214 P258 K262 E266	K213-R260 PolarHBondContact O-NH1 3.38Å; K214-R260 PolarHBondContact O-NH1 3.41Å; K214-R260 PolarHBondContact O-NH2 3.38Å; P258-R260 PolarHBondContact O-N 3.12Å; R260-K262 PolarHBondContact O-N 2.89Å; R260-E266 IonicContact CZ-OE2 3.84Å; R260-E266 IonicContact NE-OE2 3.65Å; R260-E266 IonicContact NH2-OE1 3.2Å; R260-E266 IonicContact NH2-OE2 2.66Å; R260-E266 PolarHBondContact NH2-OE2 2.9Å
261	N	68.3	Low	81.7	Confident	158 Å²	158	97.2 Å²	97.2	85%	0.845	50%	0.498	S	S	*	.			trans	-67.9	112.9	164.5	-80.8	-24.4	0	0	0	110.8
262	K	75.4	Confident	81.5	Confident	78 Å²	78	98.2 Å²	98.2	34%	0.339	51%	0.509	S	S	.	.			trans	-82.7	137.7	175.1	-62.3	-162.1	165.2	-154.5	0	111.1	R260 E266 K267	R260-K262 PolarHBondContact O-N 2.89Å; K262-E266 HydrophobicContact CB-CB 4.17Å; K262-E266 HydrophobicContact CB-CG 4.16Å; K262-E266 HydrophobicContact CD-CG 4.07Å; K262-E266 WeakPolarHBondContact CD-OE1 3.33Å; K262-E266 WeakPolarHBondContact CE-OE1 3.4Å; K262-E266 HydrophobicContact CG-CG 4.35Å; K262-E266 VanDerWaalsContact CG-OE1 3.25Å; K262-E266 WeakPolarHBondContact CG-OE1 3.37Å; K262-E266 IonicContact NZ-OE1 2.82Å; K262-E266 PolarHBondContact NZ-OE1 3.48Å; K262-K267 HydrophobicContact CB-CG 3.98Å; K262-K267 VanDerWaalsContact O-CE 3.23Å; K262-K267 WeakPolarHBondContact O-CE 3.37Å
263	G	77.6	Confident	81.2	Confident	41 Å²	41	98.9 Å²	98.9	42%	0.423	51%	0.509	S	S	.	.			trans	-69.3	165.7	176.6	0	0	0	0	0	112.8	V265 E266 K267	G263-V265 PolarHBondContact O-N 3.41Å; G263-E266 CarbonylContact O-C 3.58Å; G263-E266 WeakPolarHBondContact O-CA 3.36Å; G263-E266 WeakPolarHBondContact O-CB 3.35Å; G263-E266 PolarHBondContact O-N 2.96Å; G263-K267 PolarHBondContact O-N 2.78Å
264	L	81.6	Confident	80.9	Confident	141 Å²	141	99.7 Å²	99.7	74%	0.738	52%	0.516	S	S	*	.	H	α-helix	trans	-55.3	-48.2	-176.7	-68.6	173	0	0	0	113	E266 K267 L268	L264-E266 VanDerWaalsContact C-N 3.31Å; L264-E266 PolarHBondContact O-N 3.38Å; L264-K267 PolarHBondContact O-N 3.19Å; L264-L268 WeakPolarHBondContact O-CG 3.48Å; L264-L268 PolarHBondContact O-N 3.02Å
265	V	82.9	Confident	81	Confident	111 Å²	111	94.2 Å²	94.2	67%	0.673	50%	0.495	S	S	*	.	H	α-helix	trans	-63.5	-36.6	176.8	-177.8	0	0	0	0	111.8	G263 T269	G263-V265 PolarHBondContact O-N 3.41Å; V265-T269 HydrophobicContact CG1-CG2 4.42Å; V265-T269 WeakPolarHBondContact O-CB 3.16Å; V265-T269 WeakPolarHBondContact O-CG2 3.24Å; V265-T269 PolarHBondContact O-N 3.03Å; V265-T269 PolarHBondContact O-OG1 2.95Å
266	E	80.3	Confident	81	Confident	49 Å²	49	90.1 Å²	90.1	23%	0.229	49%	0.485	C	S	.	.	H	α-helix	trans	-69.3	-35.9	177.6	-162.3	-169	154.4	0	0	111.5	R260 K262 G263 L264 T269 A270	R260-E266 IonicContact CZ-OE2 3.84Å; R260-E266 IonicContact NE-OE2 3.65Å; R260-E266 IonicContact NH2-OE1 3.2Å; R260-E266 IonicContact NH2-OE2 2.66Å; R260-E266 PolarHBondContact NH2-OE2 2.9Å; K262-E266 HydrophobicContact CB-CB 4.17Å; K262-E266 HydrophobicContact CB-CG 4.16Å; K262-E266 HydrophobicContact CD-CG 4.07Å; K262-E266 WeakPolarHBondContact CD-OE1 3.33Å; K262-E266 WeakPolarHBondContact CE-OE1 3.4Å; K262-E266 HydrophobicContact CG-CG 4.35Å; K262-E266 VanDerWaalsContact CG-OE1 3.25Å; K262-E266 WeakPolarHBondContact CG-OE1 3.37Å; K262-E266 IonicContact NZ-OE1 2.82Å; K262-E266 PolarHBondContact NZ-OE1 3.48Å; G263-E266 CarbonylContact O-C 3.58Å; G263-E266 WeakPolarHBondContact O-CA 3.36Å; G263-E266 WeakPolarHBondContact O-CB 3.35Å; G263-E266 PolarHBondContact O-N 2.96Å; L264-E266 VanDerWaalsContact C-N 3.31Å; L264-E266 PolarHBondContact O-N 3.38Å; E266-T269 PolarHBondContact O-OG1 2.99Å; E266-A270 WeakPolarHBondContact O-CB 3.4Å; E266-A270 PolarHBondContact O-N 3.49Å
267	K	83.3	Confident	81.5	Confident	121 Å²	121	94.6 Å²	94.6	53%	0.526	50%	0.503	S	S	.	.	H	α-helix	trans	-67.9	-47.8	172.2	-72.1	176.3	173.4	177.3	0	111.9	K262 G263 L264 A270 Y271	K262-K267 HydrophobicContact CB-CG 3.98Å; K262-K267 VanDerWaalsContact O-CE 3.23Å; K262-K267 WeakPolarHBondContact O-CE 3.37Å; G263-K267 PolarHBondContact O-N 2.78Å; L264-K267 PolarHBondContact O-N 3.19Å; K267-A270 PolarHBondContact O-N 2.69Å; K267-Y271 WeakPolarHBondContact O-CB 3.26Å; K267-Y271 PolarHBondContact O-N 3.29Å
268	L	86.6	Confident	82.4	Confident	121 Å²	121	92.7 Å²	92.7	63%	0.634	49%	0.488	S	S	*	.	H	α-helix	trans	-62.9	-43.7	179.6	-72.8	169.2	0	0	0	112.1	L264 Y271 A272	L264-L268 WeakPolarHBondContact O-CG 3.48Å; L264-L268 PolarHBondContact O-N 3.02Å; L268-Y271 PolarHBondContact O-N 2.98Å; L268-A272 WeakPolarHBondContact O-CB 3.37Å; L268-A272 PolarHBondContact O-N 2.65Å
269	T	83.3	Confident	83.5	Confident	80 Å²	80	90.9 Å²	90.9	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-69.5	-38.1	176.7	49.3	0	0	0	0	112.3	V265 E266 Y271 A272 M273	V265-T269 HydrophobicContact CG1-CG2 4.42Å; V265-T269 WeakPolarHBondContact O-CB 3.16Å; V265-T269 WeakPolarHBondContact O-CG2 3.24Å; V265-T269 PolarHBondContact O-N 3.03Å; V265-T269 PolarHBondContact O-OG1 2.95Å; E266-T269 PolarHBondContact O-OG1 2.99Å; T269-Y271 VanDerWaalsContact C-N 3.35Å; T269-A272 PolarHBondContact O-N 3.49Å; T269-M273 WeakPolarHBondContact O-CG 3.43Å; T269-M273 PolarHBondContact O-N 3.39Å; T269-M273 VanDerWaalsContact O-N 3.13Å
270	A	82.9	Confident	84.6	Confident	47 Å²	47	85.7 Å²	85.7	39%	0.388	45%	0.45	S	S	.	.	H	α-helix	trans	-63.3	-39.5	171.8	0	0	0	0	0	112.3	E266 K267 M273 T274	E266-A270 WeakPolarHBondContact O-CB 3.4Å; E266-A270 PolarHBondContact O-N 3.49Å; K267-A270 PolarHBondContact O-N 2.69Å; A270-M273 PolarHBondContact O-N 3.22Å; A270-T274 PolarHBondContact O-N 3.44Å
271	Y	86.7	Confident	85.7	Confident	162 Å²	162	85.8 Å²	85.8	64%	0.635	46%	0.455	S	S	*	.	H	α-helix	trans	-65.8	-46	175.2	-178.8	-99.8	0	0	0	112	K267 L268 T269 M273 T274	K267-Y271 WeakPolarHBondContact O-CB 3.26Å; K267-Y271 PolarHBondContact O-N 3.29Å; L268-Y271 PolarHBondContact O-N 2.98Å; T269-Y271 VanDerWaalsContact C-N 3.35Å; Y271-M273 PolarHBondContact O-N 2.84Å; Y271-T274 PolarHBondContact O-N 3.01Å; Y271-T274 PolarHBondContact O-OG1 2.83Å
272	A	89.5	Confident	86.9	Confident	36 Å²	36	79.9 Å²	79.9	30%	0.298	43%	0.425	S	S	.	.	H	α-helix	trans	-57.4	-32.8	175	0	0	0	0	0	112.6	L268 T269 T274 I275 V278	L268-A272 WeakPolarHBondContact O-CB 3.37Å; L268-A272 PolarHBondContact O-N 2.65Å; T269-A272 PolarHBondContact O-N 3.49Å; A272-T274 VanDerWaalsContact C-N 3.31Å; A272-T274 PolarHBondContact O-N 2.98Å; A272-I275 WeakPolarHBondContact O-CB 3.32Å; A272-I275 PolarHBondContact O-N 3.32Å; A272-V278 WeakPolarHBondContact O-CB 3.45Å
273	M	88.7	Confident	87.7	Confident	32 Å²	32	76.4 Å²	76.4	16%	0.158	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.6	175.9	-66.9	-54.3	-68.2	0	0	114.8	V194 T269 A270 Y271 I275 V278 R279 V282	V194-M273 HydrophobicContact CB-CE 3.96Å; V194-M273 HydrophobicContact CG1-CE 4.46Å; V194-M273 HydrophobicContact CG2-CE 4.1Å; T269-M273 WeakPolarHBondContact O-CG 3.43Å; T269-M273 PolarHBondContact O-N 3.39Å; T269-M273 VanDerWaalsContact O-N 3.13Å; A270-M273 PolarHBondContact O-N 3.22Å; Y271-M273 PolarHBondContact O-N 2.84Å; M273-I275 VanDerWaalsContact C-N 3.33Å; M273-V278 HydrophobicContact SD-CG1 4.03Å; M273-R279 HydrophobicContact CE-CG 3.85Å; M273-R279 WeakPolarHBondContact O-CD 3.3Å; M273-R279 VanDerWaalsContact O-CG 3.25Å; M273-R279 WeakPolarHBondContact O-CG 3.27Å; M273-R279 PolarHBondContact O-NE 3.1Å; M273-R279 VanDerWaalsContact O-NE 3.09Å; M273-V282 HydrophobicContact CE-CB 4.17Å; M273-V282 HydrophobicContact CE-CG1 4.18Å; M273-V282 HydrophobicContact CE-CG2 4.03Å; M273-V282 HydrophobicContact SD-CG2 3.97Å
274	T	88.8	Confident	88.5	Confident	80 Å²	80	81.7 Å²	81.7	49%	0.491	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-29.3	167.4	72.1	0	0	0	0	111.1	A270 Y271 A272 P276 R279	A270-T274 PolarHBondContact O-N 3.44Å; Y271-T274 PolarHBondContact O-N 3.01Å; Y271-T274 PolarHBondContact O-OG1 2.83Å; A272-T274 VanDerWaalsContact C-N 3.31Å; A272-T274 PolarHBondContact O-N 2.98Å; T274-P276 WeakPolarHBondContact O-CD 3.33Å; T274-R279 PolarHBondContact O-NE 3.25Å; T274-R279 PolarHBondContact O-NH2 3.4Å
275	I	92.4	Very high	89.2	Confident	72 Å²	72	82.5 Å²	82.5	37%	0.369	42%	0.419	S	S	.	.	S	Bend	trans	-68.8	118.5	-176.4	-53.7	175.4	0	0	0	109.7	A272 M273 F277 V278 R279	A272-I275 WeakPolarHBondContact O-CB 3.32Å; A272-I275 PolarHBondContact O-N 3.32Å; M273-I275 VanDerWaalsContact C-N 3.33Å; I275-F277 VanDerWaalsContact C-N 3.33Å; I275-F277 HydrophobicContact CG2-CB 4.39Å; I275-F277 PolarHBondContact O-N 3.23Å; I275-V278 HydrophobicContact CB-CB 4.26Å; I275-V278 HydrophobicContact CB-CG2 3.89Å; I275-V278 HydrophobicContact CD1-CG2 4.37Å; I275-V278 HydrophobicContact CG2-CG2 4.01Å; I275-V278 PolarHBondContact O-N 3.1Å; I275-V278 VanDerWaalsContact O-N 3.17Å; I275-R279 PolarHBondContact O-N 3.42Å
276	P	90.2	Very high	89.8	Confident	74 Å²	74	78.8 Å²	78.8	48%	0.481	40%	0.396	S	S	.	.	H	α-helix	trans	-58.7	-39.8	-175.3	-25.5	33.7	0	0	0	113.7	T274 V278 R279 Q280	T274-P276 WeakPolarHBondContact O-CD 3.33Å; P276-V278 VanDerWaalsContact C-N 3.35Å; P276-V278 PolarHBondContact O-N 3.4Å; P276-R279 WeakPolarHBondContact O-CB 3.36Å; P276-R279 PolarHBondContact O-N 2.89Å; P276-Q280 WeakPolarHBondContact O-CG 3.2Å; P276-Q280 PolarHBondContact O-N 2.73Å
277	F	92.6	Very high	90.6	Very high	140 Å²	140	80.6 Å²	80.6	61%	0.614	40%	0.404	S	S	*	.	H	α-helix	trans	-59.7	-42.1	178	178.4	-106	0	0	0	112.8	I275 Q280 Q281	I275-F277 VanDerWaalsContact C-N 3.33Å; I275-F277 HydrophobicContact CG2-CB 4.39Å; I275-F277 PolarHBondContact O-N 3.23Å; F277-Q280 PolarHBondContact O-N 2.77Å; F277-Q281 HydrophobicContact CE1-CG 4.39Å; F277-Q281 HydrophobicContact CZ-CG 4.42Å; F277-Q281 PolarHBondContact O-N 2.96Å
278	V	92.3	Very high	91.2	Very high	39 Å²	39	80.7 Å²	80.7	24%	0.236	41%	0.407	C	S	.	.	H	α-helix	trans	-65.2	-41.5	176.6	179.7	0	0	0	0	110.3	A272 M273 I275 P276 Q281 V282	A272-V278 WeakPolarHBondContact O-CB 3.45Å; M273-V278 HydrophobicContact SD-CG1 4.03Å; I275-V278 HydrophobicContact CB-CB 4.26Å; I275-V278 HydrophobicContact CB-CG2 3.89Å; I275-V278 HydrophobicContact CD1-CG2 4.37Å; I275-V278 HydrophobicContact CG2-CG2 4.01Å; I275-V278 PolarHBondContact O-N 3.1Å; I275-V278 VanDerWaalsContact O-N 3.17Å; P276-V278 VanDerWaalsContact C-N 3.35Å; P276-V278 PolarHBondContact O-N 3.4Å; V278-Q281 PolarHBondContact O-N 3.06Å; V278-V282 WeakPolarHBondContact O-CG2 3.39Å; V278-V282 PolarHBondContact O-N 2.88Å
279	R	91.1	Very high	91.6	Very high	36 Å²	36	81 Å²	81	14%	0.136	40%	0.403	C	S	.	.	H	α-helix	trans	-58.1	-48.5	173.4	-76.5	-176.2	-85	145	-10.1	112	M273 T274 I275 P276 Q281 V282 Y283 E313	M273-R279 HydrophobicContact CE-CG 3.85Å; M273-R279 WeakPolarHBondContact O-CD 3.3Å; M273-R279 VanDerWaalsContact O-CG 3.25Å; M273-R279 WeakPolarHBondContact O-CG 3.27Å; M273-R279 PolarHBondContact O-NE 3.1Å; M273-R279 VanDerWaalsContact O-NE 3.09Å; T274-R279 PolarHBondContact O-NE 3.25Å; T274-R279 PolarHBondContact O-NH2 3.4Å; I275-R279 PolarHBondContact O-N 3.42Å; P276-R279 WeakPolarHBondContact O-CB 3.36Å; P276-R279 PolarHBondContact O-N 2.89Å; R279-Q281 PolarHBondContact O-N 3.17Å; R279-V282 PolarHBondContact O-N 3.41Å; R279-V282 VanDerWaalsContact O-N 3.13Å; R279-Y283 HydrophobicContact CB-CE2 3.81Å; R279-Y283 WeakPolarHBondContact O-CD2 3.29Å; R279-Y283 VanDerWaalsContact O-CG 3.23Å; R279-Y283 PolarHBondContact O-N 3.18Å; R279-E313 WeakPolarHBondContact CD-OE1 3.21Å; R279-E313 IonicContact CZ-OE1 3.27Å; R279-E313 IonicContact CZ-OE2 2.66Å; R279-E313 IonicContact NE-OE1 3.45Å; R279-E313 IonicContact NH1-OE1 2.9Å; R279-E313 PolarHBondContact NH1-OE1 2.94Å; R279-E313 IonicContact NH1-OE2 2.63Å; R279-E313 PolarHBondContact NH1-OE2 3.33Å
280	Q	92.5	Very high	92.2	Very high	74 Å²	74	77.9 Å²	77.9	35%	0.346	38%	0.384	S	S	.	.	H	α-helix	trans	-62.9	-37.8	177.6	-59.8	-54.7	-34.7	0	0	113	P276 F277 Y283 K284 K309	P276-Q280 WeakPolarHBondContact O-CG 3.2Å; P276-Q280 PolarHBondContact O-N 2.73Å; F277-Q280 PolarHBondContact O-N 2.77Å; Q280-Y283 PolarHBondContact O-N 2.91Å; Q280-K284 WeakPolarHBondContact O-CB 3.48Å; Q280-K284 PolarHBondContact O-N 3.1Å; Q280-K309 VanDerWaalsContact OE1-CE 3.27Å
281	Q	93.8	Very high	92.8	Very high	109 Å²	109	82 Å²	82	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-63.2	-40.8	172.3	-73.3	-168.1	-11.2	0	0	112.5	F277 V278 R279 K285	F277-Q281 HydrophobicContact CE1-CG 4.39Å; F277-Q281 HydrophobicContact CZ-CG 4.42Å; F277-Q281 PolarHBondContact O-N 2.96Å; V278-Q281 PolarHBondContact O-N 3.06Å; R279-Q281 PolarHBondContact O-N 3.17Å; Q281-K285 VanDerWaalsContact O-CB 3.28Å; Q281-K285 WeakPolarHBondContact O-CB 3.48Å; Q281-K285 PolarHBondContact O-N 3.37Å
282	V	92.5	Very high	93.1	Very high	35 Å²	35	82 Å²	82	21%	0.212	39%	0.393	C	S	.	.	H	α-helix	trans	-63.9	-48.3	175.6	169.1	0	0	0	0	110.9	M273 V278 R279 K284 K285 V286	M273-V282 HydrophobicContact CE-CB 4.17Å; M273-V282 HydrophobicContact CE-CG1 4.18Å; M273-V282 HydrophobicContact CE-CG2 4.03Å; M273-V282 HydrophobicContact SD-CG2 3.97Å; V278-V282 WeakPolarHBondContact O-CG2 3.39Å; V278-V282 PolarHBondContact O-N 2.88Å; R279-V282 PolarHBondContact O-N 3.41Å; R279-V282 VanDerWaalsContact O-N 3.13Å; V282-K284 PolarHBondContact O-N 2.96Å; V282-K285 PolarHBondContact O-N 3.21Å; V282-V286 HydrophobicContact CG1-CG2 4.37Å; V282-V286 WeakPolarHBondContact O-CB 3.36Å; V282-V286 VanDerWaalsContact O-CG2 3.29Å; V282-V286 WeakPolarHBondContact O-CG2 3.14Å; V282-V286 PolarHBondContact O-N 3.31Å
283	Y	92.8	Very high	93.1	Very high	4 Å²	4	87 Å²	87	2%	0.016	41%	0.41	C	S	.	.	H	α-helix	trans	-57.7	-52	177.4	-55	-41.3	0	0	0	111	V194 R279 Q280 K285 V286 E287 K309 E313	V194-Y283 HydrophobicContact CG1-CE1 4.06Å; R279-Y283 HydrophobicContact CB-CE2 3.81Å; R279-Y283 WeakPolarHBondContact O-CD2 3.29Å; R279-Y283 VanDerWaalsContact O-CG 3.23Å; R279-Y283 PolarHBondContact O-N 3.18Å; Q280-Y283 PolarHBondContact O-N 2.91Å; Y283-K285 VanDerWaalsContact C-N 3.33Å; Y283-K285 PolarHBondContact O-N 3.44Å; Y283-V286 PolarHBondContact O-N 3.26Å; Y283-E287 WeakPolarHBondContact O-CB 3.18Å; Y283-E287 PolarHBondContact O-N 2.93Å; Y283-K309 HydrophobicContact CD2-CB 4.43Å; Y283-K309 HydrophobicContact CD2-CD 3.91Å; Y283-K309 HydrophobicContact CD2-CG 3.88Å; Y283-K309 HydrophobicContact CE1-CB 4.44Å; Y283-K309 HydrophobicContact CE2-CB 4.28Å; Y283-K309 HydrophobicContact CE2-CD 4.32Å; Y283-K309 HydrophobicContact CE2-CG 3.77Å; Y283-K309 HydrophobicContact CG-CD 4.37Å; Y283-K309 HydrophobicContact CG-CG 4.48Å; Y283-E313 HydrophobicContact CE2-CG 4.21Å; Y283-E313 VanDerWaalsContact CE2-OE1 3.31Å; Y283-E313 WeakPolarHBondContact CE2-OE1 3.5Å; Y283-E313 PolarHBondContact OH-OE1 2.83Å
284	K	94.9	Very high	93.3	Very high	152 Å²	152	86.4 Å²	86.4	66%	0.661	41%	0.408	S	S	*	.	H	α-helix	trans	-57.1	-42.7	179.5	-176.9	174.4	-178.7	175.8	0	112.6	Q280 V282 E287 E288	Q280-K284 WeakPolarHBondContact O-CB 3.48Å; Q280-K284 PolarHBondContact O-N 3.1Å; V282-K284 PolarHBondContact O-N 2.96Å; K284-E287 PolarHBondContact O-N 3.32Å; K284-E288 WeakPolarHBondContact O-CB 3.35Å; K284-E288 PolarHBondContact O-N 2.99Å
285	K	95.8	Very high	93.6	Very high	159 Å²	159	87.5 Å²	87.5	69%	0.691	41%	0.406	S	S	*	.	H	α-helix	trans	-73.6	-30	-179.3	-169.9	168.6	-173.8	168.5	0	113.2	Q281 V282 Y283 K289	Q281-K285 VanDerWaalsContact O-CB 3.28Å; Q281-K285 WeakPolarHBondContact O-CB 3.48Å; Q281-K285 PolarHBondContact O-N 3.37Å; V282-K285 PolarHBondContact O-N 3.21Å; Y283-K285 VanDerWaalsContact C-N 3.33Å; Y283-K285 PolarHBondContact O-N 3.44Å; K285-K289 WeakPolarHBondContact O-CB 3.36Å; K285-K289 PolarHBondContact O-N 3.47Å
286	V	95.4	Very high	93.6	Very high	32 Å²	32	85.1 Å²	85.1	19%	0.194	40%	0.4	C	S	.	.	H	α-helix	trans	-72.1	-44.8	170.9	172.4	0	0	0	0	110.1	L198 L202 V282 Y283 K289 V290 I305	L198-V286 HydrophobicContact CD1-CG1 4.38Å; L198-V286 HydrophobicContact CD1-CG2 4.35Å; L202-V286 HydrophobicContact CD1-CG1 3.44Å; L202-V286 VanDerWaalsContact CD1-CG1 3.44Å; V282-V286 HydrophobicContact CG1-CG2 4.37Å; V282-V286 WeakPolarHBondContact O-CB 3.36Å; V282-V286 VanDerWaalsContact O-CG2 3.29Å; V282-V286 WeakPolarHBondContact O-CG2 3.14Å; V282-V286 PolarHBondContact O-N 3.31Å; Y283-V286 PolarHBondContact O-N 3.26Å; V286-K289 PolarHBondContact O-N 3.46Å; V286-V290 HydrophobicContact CG1-CG2 4.32Å; V286-V290 WeakPolarHBondContact O-CB 3.48Å; V286-V290 WeakPolarHBondContact O-CG2 3.42Å; V286-V290 PolarHBondContact O-N 3.4Å; V286-I305 HydrophobicContact CG1-CD1 3.89Å; V286-I305 HydrophobicContact CG1-CG1 4.12Å
287	E	96	Very high	93.9	Very high	87 Å²	87	84.1 Å²	84.1	41%	0.407	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-48.8	178.7	-167	-165.6	156	0	0	112.1	Y283 K284 K289 V290 R291 L302 I305	Y283-E287 WeakPolarHBondContact O-CB 3.18Å; Y283-E287 PolarHBondContact O-N 2.93Å; K284-E287 PolarHBondContact O-N 3.32Å; E287-K289 VanDerWaalsContact C-N 3.31Å; E287-K289 PolarHBondContact O-N 3.1Å; E287-V290 PolarHBondContact O-N 3.1Å; E287-R291 WeakPolarHBondContact O-CB 3.22Å; E287-R291 PolarHBondContact O-N 3Å; E287-L302 HydrophobicContact CG-CD2 4.2Å; E287-I305 HydrophobicContact CB-CD1 4.06Å; E287-I305 HydrophobicContact CG-CD1 4.37Å
288	E	96.2	Very high	94.2	Very high	123 Å²	123	79.7 Å²	79.7	58%	0.575	37%	0.369	S	S	*	.	H	α-helix	trans	-54.8	-47.5	175.3	-173.9	-155.5	141.6	0	0	111.1	K284 K292	K284-E288 WeakPolarHBondContact O-CB 3.35Å; K284-E288 PolarHBondContact O-N 2.99Å; E288-K292 VanDerWaalsContact O-CB 3.26Å; E288-K292 WeakPolarHBondContact O-CB 3.27Å; E288-K292 PolarHBondContact O-N 3.35Å
289	K	95.7	Very high	94.4	Very high	128 Å²	128	79.3 Å²	79.3	56%	0.557	37%	0.368	S	S	*	.	H	α-helix	trans	-63.3	-46.3	177.9	-179	-174.4	171.6	-166.9	0	111.4	K285 V286 E287 K292 Q293	K285-K289 WeakPolarHBondContact O-CB 3.36Å; K285-K289 PolarHBondContact O-N 3.47Å; V286-K289 PolarHBondContact O-N 3.46Å; E287-K289 VanDerWaalsContact C-N 3.31Å; E287-K289 PolarHBondContact O-N 3.1Å; K289-K292 PolarHBondContact O-N 2.91Å; K289-Q293 WeakPolarHBondContact O-CB 3.39Å; K289-Q293 VanDerWaalsContact O-CG 3.31Å; K289-Q293 WeakPolarHBondContact O-CG 3.39Å; K289-Q293 PolarHBondContact O-N 3.18Å
290	V	95.3	Very high	94.8	Very high	14 Å²	14	77.7 Å²	77.7	9%	0.085	36%	0.362	C	S	.	.	H	α-helix	trans	-60.5	-53.3	177	164.6	0	0	0	0	110	L202 V286 E287 K292 Q293 T294 P301 L302 I305	L202-V290 HydrophobicContact CD1-CG2 4.03Å; L202-V290 HydrophobicContact CD2-CG2 4.47Å; V286-V290 HydrophobicContact CG1-CG2 4.32Å; V286-V290 WeakPolarHBondContact O-CB 3.48Å; V286-V290 WeakPolarHBondContact O-CG2 3.42Å; V286-V290 PolarHBondContact O-N 3.4Å; E287-V290 PolarHBondContact O-N 3.1Å; V290-K292 PolarHBondContact O-N 2.89Å; V290-Q293 PolarHBondContact O-N 2.93Å; V290-T294 HydrophobicContact CG1-CG2 3.97Å; V290-T294 WeakPolarHBondContact O-CB 3.27Å; V290-T294 WeakPolarHBondContact O-CG2 3.23Å; V290-T294 PolarHBondContact O-N 3.4Å; V290-T294 PolarHBondContact O-OG1 3.19Å; V290-P301 HydrophobicContact CG1-CB 3.5Å; V290-P301 VanDerWaalsContact CG1-CB 3.5Å; V290-L302 HydrophobicContact CG1-CD2 3.89Å; V290-L302 HydrophobicContact CG1-CG 4.47Å; V290-I305 HydrophobicContact CB-CD1 4.35Å; V290-I305 HydrophobicContact CG2-CD1 4.22Å
291	R	95.1	Very high	95	Very high	134 Å²	134	74.7 Å²	74.7	51%	0.506	35%	0.349	S	S	.	.	H	α-helix	trans	-56.1	-39	179.6	-159.7	79.5	-173.8	-151.1	5.8	112.1	E287 K295 G296	E287-R291 WeakPolarHBondContact O-CB 3.22Å; E287-R291 PolarHBondContact O-N 3Å; R291-K295 CarbonylContact O-C 3.46Å; R291-K295 WeakPolarHBondContact O-CA 3.3Å; R291-K295 PolarHBondContact O-N 2.58Å; R291-G296 PolarHBondContact O-N 3.02Å
292	K	93.5	Very high	95.2	Very high	162 Å²	162	70.7 Å²	70.7	70%	0.704	33%	0.331	S	S	*	.	H	α-helix	trans	-70.6	-34.1	176.4	-171.3	170.2	-174.3	166	0	113.6	E288 K289 V290	E288-K292 VanDerWaalsContact O-CB 3.26Å; E288-K292 WeakPolarHBondContact O-CB 3.27Å; E288-K292 PolarHBondContact O-N 3.35Å; K289-K292 PolarHBondContact O-N 2.91Å; V290-K292 PolarHBondContact O-N 2.89Å
293	Q	90.3	Very high	95.5	Very high	140 Å²	140	70.2 Å²	70.2	65%	0.654	33%	0.326	S	S	*	.	H	α-helix	trans	-86.3	-34.5	-179.8	-69.4	-170	-74	0	0	113.5	K289 V290	K289-Q293 WeakPolarHBondContact O-CB 3.39Å; K289-Q293 VanDerWaalsContact O-CG 3.31Å; K289-Q293 WeakPolarHBondContact O-CG 3.39Å; K289-Q293 PolarHBondContact O-N 3.18Å; V290-Q293 PolarHBondContact O-N 2.93Å
294	T	92	Very high	95.8	Very high	21 Å²	21	70 Å²	70	13%	0.129	33%	0.325	C	S	.	.	H	α-helix	trans	-91.2	-7.5	177.8	66.9	0	0	0	0	113.2	V290 G296 L297 P301	V290-T294 HydrophobicContact CG1-CG2 3.97Å; V290-T294 WeakPolarHBondContact O-CB 3.27Å; V290-T294 WeakPolarHBondContact O-CG2 3.23Å; V290-T294 PolarHBondContact O-N 3.4Å; V290-T294 PolarHBondContact O-OG1 3.19Å; T294-G296 PolarHBondContact O-N 3.41Å; T294-G296 PolarHBondContact OG1-N 3.41Å; T294-L297 PolarHBondContact O-N 3.26Å; T294-P301 HydrophobicContact CG2-CB 4.18Å; T294-P301 HydrophobicContact CG2-CG 4.08Å
295	K	94.4	Very high	95.9	Very high	102 Å²	102	63 Å²	63	44%	0.443	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	9.9	-172.3	-58.1	-89	-178.6	158.7	0	113.9	R291 L297 T576	R291-K295 CarbonylContact O-C 3.46Å; R291-K295 WeakPolarHBondContact O-CA 3.3Å; R291-K295 PolarHBondContact O-N 2.58Å; K295-L297 VanDerWaalsContact C-N 3.32Å; K295-L297 HydrophobicContact CB-CD1 4.2Å; K295-L297 HydrophobicContact CB-CG 4.2Å; K295-T576 WeakPolarHBondContact CD-O 3.45Å; K295-T576 VanDerWaalsContact CG-O 3.27Å; K295-T576 WeakPolarHBondContact CG-O 3.39Å; K295-T576 PolarHBondContact NZ-OG1 3.01Å
296	G	93.9	Very high	96	Very high	23 Å²	23	59.2 Å²	59.2	24%	0.237	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	-0.2	-171.8	0	0	0	0	0	115.1	R291 T294 Y298	R291-G296 PolarHBondContact O-N 3.02Å; T294-G296 PolarHBondContact O-N 3.41Å; T294-G296 PolarHBondContact OG1-N 3.41Å; G296-Y298 VanDerWaalsContact C-N 3.3Å; G296-Y298 PolarHBondContact O-N 3.07Å
297	L	96.6	Very high	96.2	Very high	53 Å²	53	57.7 Å²	57.7	28%	0.277	27%	0.273	S	S	.	.			trans	-80.3	-5.5	-174.9	-59.2	172.2	0	0	0	114.6	T294 K295	T294-L297 PolarHBondContact O-N 3.26Å; K295-L297 VanDerWaalsContact C-N 3.32Å; K295-L297 HydrophobicContact CB-CD1 4.2Å; K295-L297 HydrophobicContact CB-CG 4.2Å
298	Y	97.6	Very high	96.3	Very high	47 Å²	47	53.6 Å²	53.6	18%	0.184	25%	0.254	C	S	.	.			trans	-121.1	109.8	-175.9	-64.5	-98.1	0	0	0	108.7	G296 L339 P712 C713	G296-Y298 VanDerWaalsContact C-N 3.3Å; G296-Y298 PolarHBondContact O-N 3.07Å; Y298-L339 HydrophobicContact CD1-CD1 4.32Å; Y298-L339 HydrophobicContact CE1-CD1 4.35Å; Y298-P712 WeakPolarHBondContact OH-CB 3.49Å; Y298-P712 VanDerWaalsContact OH-CD 3.3Å; Y298-P712 WeakPolarHBondContact OH-CD 3.31Å; Y298-C713 HydrophobicContact CD1-CB 4.35Å; Y298-C713 HydrophobicContact CE1-CB 3.78Å; Y298-C713 HydrophobicContact CE2-CB 4.25Å; Y298-C713 PolarHBondContact OH-N 2.77Å
299	P	97.9	Very high	96.3	Very high	31 Å²	31	51 Å²	51	20%	0.201	24%	0.241	C	C	.	.	H	α-helix	trans	-74.3	-30.7	-173.4	26.7	-33.6	0	0	0	113.3	L302 K303 L330 T333 E335	P299-L302 PolarHBondContact O-N 3.42Å; P299-K303 PolarHBondContact O-N 2.84Å; P299-K303 VanDerWaalsContact O-N 3.12Å; P299-L330 HydrophobicContact CB-CD2 3.96Å; P299-L330 HydrophobicContact CG-CD2 3.87Å; P299-T333 HydrophobicContact CG-CG2 4.26Å; P299-E335 HydrophobicContact CG-CB 4.45Å; P299-E335 HydrophobicContact CG-CG 4.48Å
300	A	98.1	Very high	96.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-49.2	-176.4	0	0	0	0	0	114.2	V174 G177 A178 L302 K303 I304 L330	V174-A300 HydrophobicContact CG2-CB 4.46Å; G177-A300 WeakPolarHBondContact O-CB 3.48Å; A178-A300 WeakPolarHBondContact O-CB 3.34Å; A300-L302 PolarHBondContact O-N 3.41Å; A300-L302 VanDerWaalsContact O-N 3.11Å; A300-K303 PolarHBondContact O-N 2.95Å; A300-I304 WeakPolarHBondContact O-CB 3.12Å; A300-I304 VanDerWaalsContact O-CG1 3.26Å; A300-I304 WeakPolarHBondContact O-CG1 3.22Å; A300-I304 PolarHBondContact O-N 2.7Å; A300-L330 HydrophobicContact CB-CD1 3.81Å; A300-L330 HydrophobicContact CB-CD2 3.86Å; A300-L330 HydrophobicContact CB-CG 4.46Å
301	P	98.1	Very high	96.4	Very high	12 Å²	12	45.8 Å²	45.8	8%	0.078	22%	0.22	C	C	.	.	H	α-helix	trans	-53.7	-30	174.8	-30.3	35.8	0	0	0	115.4	V174 L202 V290 T294 I305	V174-P301 HydrophobicContact CG2-CG 3.7Å; L202-P301 HydrophobicContact CD2-CB 4.1Å; L202-P301 WeakPolarHBondContact CD2-O 3.26Å; V290-P301 HydrophobicContact CG1-CB 3.5Å; V290-P301 VanDerWaalsContact CG1-CB 3.5Å; T294-P301 HydrophobicContact CG2-CB 4.18Å; T294-P301 HydrophobicContact CG2-CG 4.08Å; P301-I305 WeakPolarHBondContact O-CG1 3.36Å
302	L	97.9	Very high	96.2	Very high	24 Å²	24	42 Å²	42	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-79.5	-51.4	177.4	-62.7	172.5	0	0	0	110.5	E287 V290 P299 A300 I304 I305 D306	E287-L302 HydrophobicContact CG-CD2 4.2Å; V290-L302 HydrophobicContact CG1-CD2 3.89Å; V290-L302 HydrophobicContact CG1-CG 4.47Å; P299-L302 PolarHBondContact O-N 3.42Å; A300-L302 PolarHBondContact O-N 3.41Å; A300-L302 VanDerWaalsContact O-N 3.11Å; L302-I304 PolarHBondContact O-N 2.87Å; L302-I305 WeakPolarHBondContact O-CA 3.39Å; L302-I305 WeakPolarHBondContact O-CB 3.46Å; L302-I305 PolarHBondContact O-N 2.94Å; L302-D306 PolarHBondContact O-N 2.95Å; L302-D306 VanDerWaalsContact O-N 3.15Å
303	K	98.4	Very high	96.2	Very high	26 Å²	26	37.2 Å²	37.2	11%	0.113	19%	0.189	C	C	.	.	H	α-helix	trans	-59.8	-29.9	177.8	-72.2	174.5	179.3	174.5	0	113.6	L179 P299 A300 I305 D306 V307 K326 E329 L330	L179-K303 HydrophobicContact CD2-CB 4.34Å; P299-K303 PolarHBondContact O-N 2.84Å; P299-K303 VanDerWaalsContact O-N 3.12Å; A300-K303 PolarHBondContact O-N 2.95Å; K303-I305 VanDerWaalsContact C-N 3.32Å; K303-I305 PolarHBondContact O-N 3.4Å; K303-D306 PolarHBondContact O-N 3.27Å; K303-V307 WeakPolarHBondContact O-CB 3.29Å; K303-V307 VanDerWaalsContact O-CG2 3.31Å; K303-V307 WeakPolarHBondContact O-CG2 3.39Å; K303-V307 PolarHBondContact O-N 2.93Å; K303-K326 HydrophobicContact CD-CD 4.23Å; K303-K326 HydrophobicContact CG-CD 4.42Å; K303-E329 WeakPolarHBondContact CE-OE1 3.46Å; K303-E329 IonicContact NZ-OE1 2.76Å; K303-E329 PolarHBondContact NZ-OE1 3.16Å; K303-L330 HydrophobicContact CB-CD1 4.14Å; K303-L330 HydrophobicContact CD-CD1 3.91Å; K303-L330 HydrophobicContact CD-CD2 3.74Å; K303-L330 HydrophobicContact CD-CG 3.62Å
304	I	98.6	Very high	96.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-40.9	172	-74.1	164.9	0	0	0	111.1	V174 L179 L198 M201 L202 A300 L302 V308	V174-I304 HydrophobicContact CB-CD1 3.94Å; V174-I304 HydrophobicContact CG2-CD1 3.86Å; L179-I304 HydrophobicContact CB-CD1 4.05Å; L179-I304 HydrophobicContact CB-CG1 3.51Å; L179-I304 HydrophobicContact CD2-CG1 4.3Å; L198-I304 HydrophobicContact CD2-CG2 4.4Å; M201-I304 HydrophobicContact CB-CG2 3.75Å; M201-I304 HydrophobicContact SD-CG2 4.48Å; L202-I304 HydrophobicContact CD2-CB 3.79Å; L202-I304 HydrophobicContact CD2-CD1 4.33Å; L202-I304 HydrophobicContact CD2-CG2 3.57Å; L202-I304 HydrophobicContact CG-CG2 4.03Å; A300-I304 WeakPolarHBondContact O-CB 3.12Å; A300-I304 VanDerWaalsContact O-CG1 3.26Å; A300-I304 WeakPolarHBondContact O-CG1 3.22Å; A300-I304 PolarHBondContact O-N 2.7Å; L302-I304 PolarHBondContact O-N 2.87Å; I304-V308 WeakPolarHBondContact O-CB 3.44Å; I304-V308 WeakPolarHBondContact O-CG2 3.38Å; I304-V308 PolarHBondContact O-N 3.33Å
305	I	98	Very high	96.6	Very high	4 Å²	4	38 Å²	38	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-66.7	-44.6	176.1	-57.7	164.5	0	0	0	109.4	L198 L202 V286 E287 V290 P301 L302 K303 V308 K309	L198-I305 HydrophobicContact CD2-CG1 4.43Å; L202-I305 HydrophobicContact CD1-CG1 4.19Å; L202-I305 HydrophobicContact CD2-CG1 4.22Å; V286-I305 HydrophobicContact CG1-CD1 3.89Å; V286-I305 HydrophobicContact CG1-CG1 4.12Å; E287-I305 HydrophobicContact CB-CD1 4.06Å; E287-I305 HydrophobicContact CG-CD1 4.37Å; V290-I305 HydrophobicContact CB-CD1 4.35Å; V290-I305 HydrophobicContact CG2-CD1 4.22Å; P301-I305 WeakPolarHBondContact O-CG1 3.36Å; L302-I305 WeakPolarHBondContact O-CA 3.39Å; L302-I305 WeakPolarHBondContact O-CB 3.46Å; L302-I305 PolarHBondContact O-N 2.94Å; K303-I305 VanDerWaalsContact C-N 3.32Å; K303-I305 PolarHBondContact O-N 3.4Å; I305-V308 PolarHBondContact O-N 3.38Å; I305-K309 WeakPolarHBondContact O-CB 3.49Å; I305-K309 PolarHBondContact O-N 3.04Å
306	D	97.8	Very high	96.5	Very high	80 Å²	80	34.8 Å²	34.8	43%	0.428	19%	0.191	S	C	.	.	H	α-helix	trans	-61.6	-48.8	-179.9	-64.6	-38.9	0	0	0	112.5	L302 K303 V308 K309 T310	L302-D306 PolarHBondContact O-N 2.95Å; L302-D306 VanDerWaalsContact O-N 3.15Å; K303-D306 PolarHBondContact O-N 3.27Å; D306-V308 PolarHBondContact O-N 3.48Å; D306-K309 WeakPolarHBondContact O-CB 3.36Å; D306-K309 PolarHBondContact O-N 2.54Å; D306-T310 WeakPolarHBondContact O-CB 3.35Å; D306-T310 PolarHBondContact O-N 3.1Å; D306-T310 PolarHBondContact O-OG1 3Å; D306-T310 VanDerWaalsContact O-OG1 3.06Å
307	V	98.4	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-42.1	-179.6	172.3	0	0	0	0	111.7	L179 T185 Q186 K303 T310 G311 E323 K326	L179-V307 HydrophobicContact CD2-CG2 4.07Å; T185-V307 HydrophobicContact CG2-CG1 3.9Å; T185-V307 WeakPolarHBondContact OG1-CG1 3.38Å; Q186-V307 PolarHBondContact NE2-O 3.38Å; K303-V307 WeakPolarHBondContact O-CB 3.29Å; K303-V307 VanDerWaalsContact O-CG2 3.31Å; K303-V307 WeakPolarHBondContact O-CG2 3.39Å; K303-V307 PolarHBondContact O-N 2.93Å; V307-T310 PolarHBondContact O-N 3.41Å; V307-G311 PolarHBondContact O-N 2.88Å; V307-E323 HydrophobicContact CG1-CB 3.64Å; V307-E323 HydrophobicContact CG1-CG 4.2Å; V307-K326 HydrophobicContact CG2-CB 3.7Å; V307-K326 HydrophobicContact CG2-CG 3.76Å
308	V	97.9	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-43.5	175.5	169	0	0	0	0	110.6	P189 V194 L198 M201 I304 I305 D306 I312	P189-V308 HydrophobicContact CB-CG1 4.48Å; P189-V308 HydrophobicContact CG-CG1 3.88Å; P189-V308 HydrophobicContact CG-CG2 4.32Å; V194-V308 HydrophobicContact CG1-CG1 4.26Å; L198-V308 HydrophobicContact CD2-CB 4.01Å; L198-V308 HydrophobicContact CD2-CG1 3.93Å; L198-V308 HydrophobicContact CD2-CG2 4Å; L198-V308 HydrophobicContact CG-CG1 4.28Å; M201-V308 HydrophobicContact CE-CG2 3.56Å; M201-V308 HydrophobicContact SD-CG2 4.33Å; I304-V308 WeakPolarHBondContact O-CB 3.44Å; I304-V308 WeakPolarHBondContact O-CG2 3.38Å; I304-V308 PolarHBondContact O-N 3.33Å; I305-V308 PolarHBondContact O-N 3.38Å; D306-V308 PolarHBondContact O-N 3.48Å; V308-I312 HydrophobicContact CG1-CD1 3.63Å; V308-I312 WeakPolarHBondContact O-CB 3.11Å; V308-I312 WeakPolarHBondContact O-CD1 3.47Å; V308-I312 WeakPolarHBondContact O-CG1 3.47Å; V308-I312 PolarHBondContact O-N 3.37Å; V308-I312 VanDerWaalsContact O-N 3.15Å
309	K	96.9	Very high	96.7	Very high	70 Å²	70	36 Å²	36	30%	0.304	20%	0.201	S	C	.	.	H	α-helix	trans	-61.9	-50.7	175	179.4	179.4	-178.9	-177.3	0	111	Q280 Y283 I305 D306 G311 I312 E313	Q280-K309 VanDerWaalsContact OE1-CE 3.27Å; Y283-K309 HydrophobicContact CD2-CB 4.43Å; Y283-K309 HydrophobicContact CD2-CD 3.91Å; Y283-K309 HydrophobicContact CD2-CG 3.88Å; Y283-K309 HydrophobicContact CE1-CB 4.44Å; Y283-K309 HydrophobicContact CE2-CB 4.28Å; Y283-K309 HydrophobicContact CE2-CD 4.32Å; Y283-K309 HydrophobicContact CE2-CG 3.77Å; Y283-K309 HydrophobicContact CG-CD 4.37Å; Y283-K309 HydrophobicContact CG-CG 4.48Å; I305-K309 WeakPolarHBondContact O-CB 3.49Å; I305-K309 PolarHBondContact O-N 3.04Å; D306-K309 WeakPolarHBondContact O-CB 3.36Å; D306-K309 PolarHBondContact O-N 2.54Å; K309-G311 VanDerWaalsContact C-N 3.35Å; K309-G311 PolarHBondContact O-N 3.32Å; K309-I312 PolarHBondContact O-N 3.45Å; K309-E313 HydrophobicContact CG-CG 3.96Å; K309-E313 WeakPolarHBondContact O-CB 3.31Å; K309-E313 VanDerWaalsContact O-CG 3.26Å; K309-E313 WeakPolarHBondContact O-CG 3.39Å; K309-E313 PolarHBondContact O-N 3.39Å
310	T	97.1	Very high	96.7	Very high	28 Å²	28	35.5 Å²	35.5	17%	0.172	20%	0.195	C	C	.	.	H	α-helix	trans	-52.8	-50.9	177.4	-67.6	0	0	0	0	111.4	D306 V307 I312 Q314 A318	D306-T310 WeakPolarHBondContact O-CB 3.35Å; D306-T310 PolarHBondContact O-N 3.1Å; D306-T310 PolarHBondContact O-OG1 3Å; D306-T310 VanDerWaalsContact O-OG1 3.06Å; V307-T310 PolarHBondContact O-N 3.41Å; T310-I312 VanDerWaalsContact C-N 3.34Å; T310-I312 PolarHBondContact O-N 2.83Å; T310-Q314 WeakPolarHBondContact O-CA 3.21Å; T310-Q314 VanDerWaalsContact O-CB 3.25Å; T310-Q314 WeakPolarHBondContact O-CB 3.31Å; T310-Q314 PolarHBondContact O-N 3.31Å; T310-A318 HydrophobicContact CG2-CB 4.34Å
311	G	95.8	Very high	96.7	Very high	4 Å²	4	40.5 Å²	40.5	4%	0.041	22%	0.221	C	C	.	.	H	α-helix	trans	-68.7	-26.1	-177.8	0	0	0	0	0	116	Q186 V307 K309 G315 G319	Q186-G311 VanDerWaalsContact OE1-CA 3.28Å; V307-G311 PolarHBondContact O-N 2.88Å; K309-G311 VanDerWaalsContact C-N 3.35Å; K309-G311 PolarHBondContact O-N 3.32Å; G311-G315 WeakPolarHBondContact CA-O 3.26Å; G311-G315 CarbonylContact O-C 3.51Å; G311-G315 VanDerWaalsContact O-C 3.27Å; G311-G319 VanDerWaalsContact CA-CA 3.42Å
312	I	92	Very high	96.7	Very high	53 Å²	53	40.9 Å²	40.9	27%	0.272	22%	0.224	S	C	.	.	H	α-helix	trans	-86.1	-39	176.8	-65.4	168	0	0	0	111.7	P189 V194 V308 K309 T310	P189-I312 HydrophobicContact CB-CD1 3.88Å; P189-I312 HydrophobicContact CG-CD1 4.46Å; V194-I312 HydrophobicContact CG1-CD1 4.04Å; V194-I312 HydrophobicContact CG2-CD1 3.71Å; V308-I312 HydrophobicContact CG1-CD1 3.63Å; V308-I312 WeakPolarHBondContact O-CB 3.11Å; V308-I312 WeakPolarHBondContact O-CD1 3.47Å; V308-I312 WeakPolarHBondContact O-CG1 3.47Å; V308-I312 PolarHBondContact O-N 3.37Å; V308-I312 VanDerWaalsContact O-N 3.15Å; K309-I312 PolarHBondContact O-N 3.45Å; T310-I312 VanDerWaalsContact C-N 3.34Å; T310-I312 PolarHBondContact O-N 2.83Å
313	E	93.4	Very high	96.8	Very high	62 Å²	62	39.7 Å²	39.7	29%	0.29	22%	0.218	S	C	.	.	H	α-helix	trans	-87.7	-30.3	-176.4	-53.6	-52.3	129.5	0	0	113.3	R279 Y283 K309	R279-E313 WeakPolarHBondContact CD-OE1 3.21Å; R279-E313 IonicContact CZ-OE1 3.27Å; R279-E313 IonicContact CZ-OE2 2.66Å; R279-E313 IonicContact NE-OE1 3.45Å; R279-E313 IonicContact NH1-OE1 2.9Å; R279-E313 PolarHBondContact NH1-OE1 2.94Å; R279-E313 IonicContact NH1-OE2 2.63Å; R279-E313 PolarHBondContact NH1-OE2 3.33Å; Y283-E313 HydrophobicContact CE2-CG 4.21Å; Y283-E313 VanDerWaalsContact CE2-OE1 3.31Å; Y283-E313 WeakPolarHBondContact CE2-OE1 3.5Å; Y283-E313 PolarHBondContact OH-OE1 2.83Å; K309-E313 HydrophobicContact CG-CG 3.96Å; K309-E313 WeakPolarHBondContact O-CB 3.31Å; K309-E313 VanDerWaalsContact O-CG 3.26Å; K309-E313 WeakPolarHBondContact O-CG 3.39Å; K309-E313 PolarHBondContact O-N 3.39Å
314	Q	95.2	Very high	96.7	Very high	143 Å²	143	38.5 Å²	38.5	67%	0.668	21%	0.213	S	C	*	.	S	Bend	trans	-110.4	-8.4	-174.8	-53	-179.6	4.4	0	0	114	T310 A318	T310-Q314 WeakPolarHBondContact O-CA 3.21Å; T310-Q314 VanDerWaalsContact O-CB 3.25Å; T310-Q314 WeakPolarHBondContact O-CB 3.31Å; T310-Q314 PolarHBondContact O-N 3.31Å; Q314-A318 HydrophobicContact CB-CB 4.08Å
315	G	94.1	Very high	96.7	Very high	34 Å²	34	43.6 Å²	43.6	35%	0.351	24%	0.236	S	C	.	.			trans	105.2	161.7	-178.3	0	0	0	0	0	113.7	G311 D317 G319	G311-G315 WeakPolarHBondContact CA-O 3.26Å; G311-G315 CarbonylContact O-C 3.51Å; G311-G315 VanDerWaalsContact O-C 3.27Å; G315-D317 PolarHBondContact O-N 2.65Å; G315-G319 PolarHBondContact O-N 3.05Å
316	S	93	Very high	96.7	Very high	35 Å²	35	46.1 Å²	46.1	25%	0.245	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-33.2	-166.7	-62.2	0	0	0	0	114	K190 G319 Y320	K190-S316 WeakPolarHBondContact CE-OG 3.36Å; K190-S316 PolarHBondContact NZ-OG 3.21Å; S316-G319 CarbonylContact O-C 3.25Å; S316-G319 WeakPolarHBondContact O-CA 3.33Å; S316-G319 PolarHBondContact O-N 3.13Å; S316-G319 VanDerWaalsContact O-N 3.12Å; S316-Y320 WeakPolarHBondContact O-CD2 3.38Å; S316-Y320 PolarHBondContact O-N 3.41Å
317	D	96.3	Very high	96.7	Very high	115 Å²	115	43.2 Å²	43.2	62%	0.615	23%	0.231	S	C	*	.	H	α-helix	trans	-71.1	-42.2	-176.9	-49.1	-24.8	0	0	0	110.4	G315 G319 Y320 L321	G315-D317 PolarHBondContact O-N 2.65Å; D317-G319 VanDerWaalsContact C-N 3.26Å; D317-G319 PolarHBondContact O-N 3.04Å; D317-Y320 PolarHBondContact O-N 2.91Å; D317-L321 WeakPolarHBondContact O-CB 3.14Å; D317-L321 VanDerWaalsContact O-CG 3.3Å; D317-L321 WeakPolarHBondContact O-CG 3.49Å; D317-L321 PolarHBondContact O-N 2.9Å
318	A	97.9	Very high	96.5	Very high	34 Å²	34	43.2 Å²	43.2	28%	0.281	23%	0.231	S	C	.	.	H	α-helix	trans	-59.8	-37.6	167.7	0	0	0	0	0	111.8	T310 Q314 S322	T310-A318 HydrophobicContact CG2-CB 4.34Å; Q314-A318 HydrophobicContact CB-CB 4.08Å; A318-S322 WeakPolarHBondContact O-CB 3.47Å; A318-S322 PolarHBondContact O-N 3.42Å
319	G	98	Very high	96.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-52.5	173.7	0	0	0	0	0	114.1	Q186 G311 G315 S316 D317 S322 E323	Q186-G319 PolarHBondContact NE2-O 3.47Å; G311-G319 VanDerWaalsContact CA-CA 3.42Å; G315-G319 PolarHBondContact O-N 3.05Å; S316-G319 CarbonylContact O-C 3.25Å; S316-G319 WeakPolarHBondContact O-CA 3.33Å; S316-G319 PolarHBondContact O-N 3.13Å; S316-G319 VanDerWaalsContact O-N 3.12Å; D317-G319 VanDerWaalsContact C-N 3.26Å; D317-G319 PolarHBondContact O-N 3.04Å; G319-S322 PolarHBondContact O-N 2.93Å; G319-E323 WeakPolarHBondContact O-CB 3.43Å; G319-E323 PolarHBondContact O-N 3.06Å
320	Y	98.3	Very high	96.5	Very high	21 Å²	21	43 Å²	43	8%	0.082	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-43.1	178.5	-71.4	-61	0	0	0	111.9	Q124 E131 Q186 R187 S316 D317 E323 S324	Q124-Y320 HydrophobicContact CG-CD1 4.39Å; Q124-Y320 PolarHBondContact NE2-O 3.06Å; Q124-Y320 PolarHBondContact OE1-O 3Å; E131-Y320 PolarHBondContact OE2-OH 3.38Å; Q186-Y320 HydrophobicContact CB-CD1 4.02Å; Q186-Y320 HydrophobicContact CB-CE1 3.54Å; Q186-Y320 HydrophobicContact CB-CE2 4.48Å; Q186-Y320 HydrophobicContact CG-CD1 3.58Å; Q186-Y320 HydrophobicContact CG-CE1 3.67Å; Q186-Y320 HydrophobicContact CG-CG 4.04Å; R187-Y320 PolarHBondContact NE-OH 3.36Å; R187-Y320 PolarHBondContact NH2-OH 3.36Å; S316-Y320 WeakPolarHBondContact O-CD2 3.38Å; S316-Y320 PolarHBondContact O-N 3.41Å; D317-Y320 PolarHBondContact O-N 2.91Å; Y320-E323 WeakPolarHBondContact O-CB 3.17Å; Y320-E323 PolarHBondContact O-N 2.82Å; Y320-S324 PolarHBondContact O-N 3Å
321	L	97.8	Very high	96.4	Very high	105 Å²	105	41.9 Å²	41.9	55%	0.55	22%	0.224	S	C	.	.	H	α-helix	trans	-61.5	-46.3	175.5	-70.3	172.7	0	0	0	111.5	D317 E323 S324 Q325	D317-L321 WeakPolarHBondContact O-CB 3.14Å; D317-L321 VanDerWaalsContact O-CG 3.3Å; D317-L321 WeakPolarHBondContact O-CG 3.49Å; D317-L321 PolarHBondContact O-N 2.9Å; L321-E323 PolarHBondContact O-N 2.85Å; L321-S324 PolarHBondContact O-N 3.02Å; L321-S324 PolarHBondContact O-OG 3.08Å; L321-Q325 PolarHBondContact O-N 2.8Å
322	S	98.4	Very high	96.2	Very high	20 Å²	20	44.3 Å²	44.3	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-42.6	175.1	-172.6	0	0	0	0	112.2	A318 G319 S324 Q325 K326	A318-S322 WeakPolarHBondContact O-CB 3.47Å; A318-S322 PolarHBondContact O-N 3.42Å; G319-S322 PolarHBondContact O-N 2.93Å; S322-S324 PolarHBondContact O-N 3.17Å; S322-Q325 PolarHBondContact O-N 3.46Å; S322-K326 VanDerWaalsContact O-CB 3.26Å; S322-K326 WeakPolarHBondContact O-CB 3.47Å; S322-K326 WeakPolarHBondContact O-CG 3.47Å; S322-K326 PolarHBondContact O-N 2.93Å
323	E	98.6	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.2	-50.7	173.9	-171.6	-169.6	79	0	0	110.8	Q124 L179 P180 A182 G183 G184 T185 V307 G319 Y320 L321 Q325 K326 F327	Q124-E323 PolarHBondContact NE2-OE1 3.01Å; L179-E323 HydrophobicContact CD1-CG 3.86Å; P180-E323 WeakPolarHBondContact O-CG 3.5Å; A182-E323 PolarHBondContact N-OE1 3.18Å; G183-E323 VanDerWaalsContact C-OE2 3.25Å; G183-E323 VanDerWaalsContact CA-OE1 3.26Å; G183-E323 WeakPolarHBondContact CA-OE1 3.5Å; G183-E323 VanDerWaalsContact CA-OE2 3.28Å; G183-E323 WeakPolarHBondContact CA-OE2 3.48Å; G183-E323 PolarHBondContact N-OE1 2.97Å; G183-E323 PolarHBondContact N-OE2 3.36Å; G184-E323 PolarHBondContact N-OE2 2.84Å; T185-E323 VanDerWaalsContact CB-OE2 3.29Å; T185-E323 WeakPolarHBondContact CB-OE2 3.35Å; T185-E323 HydrophobicContact CG2-CG 3.93Å; T185-E323 WeakPolarHBondContact CG2-OE2 3.48Å; T185-E323 PolarHBondContact N-OE2 3.37Å; T185-E323 VanDerWaalsContact OG1-CD 3.3Å; T185-E323 WeakPolarHBondContact OG1-CG 3.46Å; T185-E323 PolarHBondContact OG1-OE2 2.68Å; V307-E323 HydrophobicContact CG1-CB 3.64Å; V307-E323 HydrophobicContact CG1-CG 4.2Å; G319-E323 WeakPolarHBondContact O-CB 3.43Å; G319-E323 PolarHBondContact O-N 3.06Å; Y320-E323 WeakPolarHBondContact O-CB 3.17Å; Y320-E323 PolarHBondContact O-N 2.82Å; L321-E323 PolarHBondContact O-N 2.85Å; E323-Q325 PolarHBondContact O-N 2.92Å; E323-K326 PolarHBondContact O-N 3.41Å; E323-F327 WeakPolarHBondContact O-CB 3.36Å; E323-F327 PolarHBondContact O-N 3.42Å
324	S	97.7	Very high	96.5	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-43.3	-177.4	71.9	0	0	0	0	113.1	S120 Q121 Y320 L321 S322 G328	S120-S324 VanDerWaalsContact OG-CA 3.25Å; S120-S324 WeakPolarHBondContact OG-CA 2.98Å; S120-S324 VanDerWaalsContact OG-CB 3.31Å; S120-S324 WeakPolarHBondContact OG-CB 3.43Å; Q121-S324 WeakPolarHBondContact CG-OG 3.41Å; Q121-S324 PolarHBondContact NE2-OG 2.66Å; Y320-S324 PolarHBondContact O-N 3Å; L321-S324 PolarHBondContact O-N 3.02Å; L321-S324 PolarHBondContact O-OG 3.08Å; S322-S324 PolarHBondContact O-N 3.17Å; S324-G328 PolarHBondContact O-N 3.26Å; S324-G328 VanDerWaalsContact O-N 3.16Å
325	Q	97.6	Very high	96.6	Very high	107 Å²	107	41.7 Å²	41.7	50%	0.5	22%	0.221	S	C	.	.	H	α-helix	trans	-66.8	-45.1	178.3	-170.3	-171.6	31.3	0	0	111	L321 S322 E323 G328 E329	L321-Q325 PolarHBondContact O-N 2.8Å; S322-Q325 PolarHBondContact O-N 3.46Å; E323-Q325 PolarHBondContact O-N 2.92Å; Q325-G328 PolarHBondContact O-N 2.86Å; Q325-E329 WeakPolarHBondContact O-CB 3.38Å; Q325-E329 PolarHBondContact O-N 2.97Å
326	K	98.3	Very high	96.7	Very high	57 Å²	57	40 Å²	40	25%	0.248	21%	0.205	C	C	.	.	H	α-helix	trans	-75	-25.3	-177.6	-63.6	-69.2	163.3	-167.7	0	112.6	L179 K303 V307 S322 E323 E329 L330	L179-K326 HydrophobicContact CD2-CB 4.09Å; K303-K326 HydrophobicContact CD-CD 4.23Å; K303-K326 HydrophobicContact CG-CD 4.42Å; V307-K326 HydrophobicContact CG2-CB 3.7Å; V307-K326 HydrophobicContact CG2-CG 3.76Å; S322-K326 VanDerWaalsContact O-CB 3.26Å; S322-K326 WeakPolarHBondContact O-CB 3.47Å; S322-K326 WeakPolarHBondContact O-CG 3.47Å; S322-K326 PolarHBondContact O-N 2.93Å; E323-K326 PolarHBondContact O-N 3.41Å; K326-E329 WeakPolarHBondContact CD-OE2 3.49Å; K326-E329 WeakPolarHBondContact CE-OE2 3.37Å; K326-E329 IonicContact NZ-OE2 3.53Å; K326-E329 PolarHBondContact NZ-OE2 3.05Å; K326-L330 VanDerWaalsContact O-CB 3.3Å; K326-L330 WeakPolarHBondContact O-CB 3.35Å; K326-L330 VanDerWaalsContact O-CG 3.27Å; K326-L330 WeakPolarHBondContact O-CG 3.49Å; K326-L330 PolarHBondContact O-N 3.32Å
327	F	97.4	Very high	96.7	Very high	18 Å²	18	42.5 Å²	42.5	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-55	166.9	-179	-107.1	0	0	0	111.2	L107 V116 A178 L179 E323 E329 L330 V331	L107-F327 HydrophobicContact CD1-CZ 4.34Å; L107-F327 HydrophobicContact CD2-CE1 4.15Å; L107-F327 HydrophobicContact CD2-CZ 3.93Å; V116-F327 HydrophobicContact CG1-CD1 3.64Å; V116-F327 HydrophobicContact CG1-CE1 3.49Å; V116-F327 VanDerWaalsContact CG1-CE1 3.49Å; V116-F327 HydrophobicContact CG1-CZ 4.47Å; A178-F327 HydrophobicContact CB-CE2 4.27Å; L179-F327 HydrophobicContact CD1-CB 3.85Å; L179-F327 HydrophobicContact CD1-CD2 4.22Å; L179-F327 WeakPolarHBondContact O-CD2 3.32Å; L179-F327 WeakPolarHBondContact O-CE2 3.32Å; E323-F327 WeakPolarHBondContact O-CB 3.36Å; E323-F327 PolarHBondContact O-N 3.42Å; F327-E329 VanDerWaalsContact C-N 3.33Å; F327-E329 PolarHBondContact O-N 2.82Å; F327-L330 PolarHBondContact O-N 2.93Å; F327-V331 HydrophobicContact CE1-CG2 4.32Å; F327-V331 HydrophobicContact CE2-CG2 4.19Å; F327-V331 HydrophobicContact CZ-CG2 4.08Å; F327-V331 PolarHBondContact O-N 3.15Å
328	G	95.3	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-40	176.9	0	0	0	0	0	113.3	S324 Q325 L330 M332	S324-G328 PolarHBondContact O-N 3.26Å; S324-G328 VanDerWaalsContact O-N 3.16Å; Q325-G328 PolarHBondContact O-N 2.86Å; G328-L330 VanDerWaalsContact C-N 3.25Å; G328-L330 PolarHBondContact O-N 2.85Å; G328-M332 WeakPolarHBondContact O-CG 3.34Å
329	E	96.7	Very high	96.6	Very high	65 Å²	65	36.4 Å²	36.4	30%	0.304	17%	0.173	S	C	.	.	H	α-helix	trans	-63.7	-29.3	174.2	-158.9	-162.2	125.6	0	0	112.6	L113 K303 Q325 K326 F327 T333	L113-E329 HydrophobicContact CD1-CB 4.16Å; L113-E329 HydrophobicContact CD1-CG 4.22Å; K303-E329 WeakPolarHBondContact CE-OE1 3.46Å; K303-E329 IonicContact NZ-OE1 2.76Å; K303-E329 PolarHBondContact NZ-OE1 3.16Å; Q325-E329 WeakPolarHBondContact O-CB 3.38Å; Q325-E329 PolarHBondContact O-N 2.97Å; K326-E329 WeakPolarHBondContact CD-OE2 3.49Å; K326-E329 WeakPolarHBondContact CE-OE2 3.37Å; K326-E329 IonicContact NZ-OE2 3.53Å; K326-E329 PolarHBondContact NZ-OE2 3.05Å; F327-E329 VanDerWaalsContact C-N 3.33Å; F327-E329 PolarHBondContact O-N 2.82Å; E329-T333 WeakPolarHBondContact O-CG2 3.27Å
330	L	96.9	Very high	96.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-82.1	-47	-179.7	-86.2	170.7	0	0	0	113.8	L179 P299 A300 K303 K326 F327 G328 M332 T333 S336	L179-L330 HydrophobicContact CB-CD1 4.24Å; L179-L330 HydrophobicContact CD2-CD1 3.63Å; L179-L330 HydrophobicContact CG-CD1 3.78Å; P299-L330 HydrophobicContact CB-CD2 3.96Å; P299-L330 HydrophobicContact CG-CD2 3.87Å; A300-L330 HydrophobicContact CB-CD1 3.81Å; A300-L330 HydrophobicContact CB-CD2 3.86Å; A300-L330 HydrophobicContact CB-CG 4.46Å; K303-L330 HydrophobicContact CB-CD1 4.14Å; K303-L330 HydrophobicContact CD-CD1 3.91Å; K303-L330 HydrophobicContact CD-CD2 3.74Å; K303-L330 HydrophobicContact CD-CG 3.62Å; K326-L330 VanDerWaalsContact O-CB 3.3Å; K326-L330 WeakPolarHBondContact O-CB 3.35Å; K326-L330 VanDerWaalsContact O-CG 3.27Å; K326-L330 WeakPolarHBondContact O-CG 3.49Å; K326-L330 PolarHBondContact O-N 3.32Å; F327-L330 PolarHBondContact O-N 2.93Å; G328-L330 VanDerWaalsContact C-N 3.25Å; G328-L330 PolarHBondContact O-N 2.85Å; L330-M332 PolarHBondContact O-N 3.4Å; L330-M332 VanDerWaalsContact O-N 3.13Å; L330-T333 HydrophobicContact CD2-CG2 4.33Å; L330-T333 VanDerWaalsContact O-CB 3.31Å; L330-T333 WeakPolarHBondContact O-CB 3.34Å; L330-T333 WeakPolarHBondContact O-CG2 3.43Å; L330-T333 PolarHBondContact O-N 3.02Å; L330-T333 PolarHBondContact O-OG1 2.8Å; L330-S336 VanDerWaalsContact O-CB 3.23Å; L330-S336 WeakPolarHBondContact O-CB 3.16Å
331	V	94.9	Very high	96.3	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-58.2	-29.4	179.2	173.2	0	0	0	0	111.5	L107 V116 A178 F327 T333 M340	L107-V331 HydrophobicContact CB-CG1 4.46Å; V116-V331 HydrophobicContact CG1-CB 3.96Å; V116-V331 HydrophobicContact CG1-CG1 4.25Å; V116-V331 HydrophobicContact CG1-CG2 3.93Å; V116-V331 HydrophobicContact CG2-CG1 4.19Å; A178-V331 HydrophobicContact CB-CG2 4.37Å; F327-V331 HydrophobicContact CE1-CG2 4.32Å; F327-V331 HydrophobicContact CE2-CG2 4.19Å; F327-V331 HydrophobicContact CZ-CG2 4.08Å; F327-V331 PolarHBondContact O-N 3.15Å; V331-T333 VanDerWaalsContact C-N 3.34Å; V331-T333 PolarHBondContact O-N 3.26Å; V331-M340 HydrophobicContact CG1-CE 4.29Å; V331-M340 HydrophobicContact CG2-CE 4.44Å
332	M	93.5	Very high	96.2	Very high	56 Å²	56	31.8 Å²	31.8	28%	0.276	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-11.8	177.4	-63.4	-56.1	-78.7	0	0	114.8	K111 L113 G328 L330 K337	K111-M332 WeakPolarHBondContact O-CE 3.49Å; L113-M332 HydrophobicContact CB-CG 4.2Å; G328-M332 WeakPolarHBondContact O-CG 3.34Å; L330-M332 PolarHBondContact O-N 3.4Å; L330-M332 VanDerWaalsContact O-N 3.13Å; M332-K337 PolarHBondContact O-NZ 2.72Å
333	T	95.8	Very high	96	Very high	25 Å²	25	36 Å²	36	15%	0.153	17%	0.168	C	C	.	.	S	Bend	trans	-66.3	162.3	-179.3	63.6	0	0	0	0	113.7	P299 E329 L330 V331 E335 S336 K337	P299-T333 HydrophobicContact CG-CG2 4.26Å; E329-T333 WeakPolarHBondContact O-CG2 3.27Å; L330-T333 HydrophobicContact CD2-CG2 4.33Å; L330-T333 VanDerWaalsContact O-CB 3.31Å; L330-T333 WeakPolarHBondContact O-CB 3.34Å; L330-T333 WeakPolarHBondContact O-CG2 3.43Å; L330-T333 PolarHBondContact O-N 3.02Å; L330-T333 PolarHBondContact O-OG1 2.8Å; V331-T333 VanDerWaalsContact C-N 3.34Å; V331-T333 PolarHBondContact O-N 3.26Å; T333-E335 WeakPolarHBondContact CB-OE2 3.19Å; T333-S336 VanDerWaalsContact OG1-CB 3.27Å; T333-S336 WeakPolarHBondContact OG1-CB 3.29Å; T333-S336 PolarHBondContact OG1-N 2.95Å; T333-S336 VanDerWaalsContact OG1-N 3.12Å; T333-K337 WeakPolarHBondContact O-CD 3.33Å; T333-K337 WeakPolarHBondContact O-CG 3.22Å; T333-K337 PolarHBondContact O-N 2.89Å
334	K	95.4	Very high	95.8	Very high	119 Å²	119	38.9 Å²	38.9	52%	0.517	18%	0.181	S	C	.	.	H	α-helix	trans	-69.5	-40.3	175.6	-66.4	-168.2	177.2	-162.2	0	110.9	K337 A338 L723	K334-K337 PolarHBondContact O-N 2.75Å; K334-A338 WeakPolarHBondContact O-CB 3.42Å; K334-A338 PolarHBondContact O-N 2.77Å; K334-L723 PolarHBondContact NZ-O 3.06Å
335	E	96.8	Very high	95.6	Very high	58 Å²	58	39 Å²	39	27%	0.271	18%	0.183	S	C	.	.	H	α-helix	trans	-65.6	-41.1	-177.5	-59.7	73.9	-166.2	0	0	111	P299 T333 L339 C713	P299-E335 HydrophobicContact CG-CB 4.45Å; P299-E335 HydrophobicContact CG-CG 4.48Å; T333-E335 WeakPolarHBondContact CB-OE2 3.19Å; E335-L339 WeakPolarHBondContact O-CB 3.44Å; E335-L339 VanDerWaalsContact O-CG 3.22Å; E335-L339 WeakPolarHBondContact O-CG 3.31Å; E335-L339 PolarHBondContact O-N 3.36Å; E335-C713 HydrophobicContact CG-CB 4.16Å
336	S	95.7	Very high	95.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-44.8	174.5	-174.3	0	0	0	0	111.8	L176 L330 T333 A338 L339 M340	L176-S336 VanDerWaalsContact O-CA 3.29Å; L176-S336 WeakPolarHBondContact O-CA 3.23Å; L176-S336 WeakPolarHBondContact O-CB 3.17Å; L176-S336 PolarHBondContact O-OG 2.77Å; L330-S336 VanDerWaalsContact O-CB 3.23Å; L330-S336 WeakPolarHBondContact O-CB 3.16Å; T333-S336 VanDerWaalsContact OG1-CB 3.27Å; T333-S336 WeakPolarHBondContact OG1-CB 3.29Å; T333-S336 PolarHBondContact OG1-N 2.95Å; T333-S336 VanDerWaalsContact OG1-N 3.12Å; S336-A338 VanDerWaalsContact C-N 3.34Å; S336-A338 PolarHBondContact O-N 3.09Å; S336-L339 PolarHBondContact O-N 3.01Å; S336-M340 WeakPolarHBondContact O-CB 3.2Å; S336-M340 WeakPolarHBondContact O-CG 3.47Å; S336-M340 PolarHBondContact O-N 2.68Å
337	K	93.2	Very high	95.2	Very high	86 Å²	86	35.6 Å²	35.6	37%	0.374	17%	0.171	S	C	.	.	H	α-helix	trans	-62.7	-38.7	176.8	-71.4	165.6	-178	162.7	0	112.6	M332 T333 K334 G341	M332-K337 PolarHBondContact O-NZ 2.72Å; T333-K337 WeakPolarHBondContact O-CD 3.33Å; T333-K337 WeakPolarHBondContact O-CG 3.22Å; T333-K337 PolarHBondContact O-N 2.89Å; K334-K337 PolarHBondContact O-N 2.75Å; K337-G341 PolarHBondContact O-N 2.9Å
338	A	96.2	Very high	95	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-50.2	171.4	0	0	0	0	0	112.3	K334 S336 G341 L342 C713 R719 L723	K334-A338 WeakPolarHBondContact O-CB 3.42Å; K334-A338 PolarHBondContact O-N 2.77Å; S336-A338 VanDerWaalsContact C-N 3.34Å; S336-A338 PolarHBondContact O-N 3.09Å; A338-G341 PolarHBondContact O-N 3.35Å; A338-L342 PolarHBondContact O-N 3.45Å; A338-C713 WeakPolarHBondContact CB-O 3.24Å; A338-R719 HydrophobicContact CB-CG 4.42Å; A338-L723 HydrophobicContact CB-CD1 4.04Å
339	L	97.1	Very high	95.1	Very high	21 Å²	21	40 Å²	40	11%	0.11	20%	0.195	C	C	.	.	H	α-helix	trans	-69.2	-35.3	-178.5	-70.4	169.2	0	0	0	113.1	Y298 E335 S336 L342 Y343 P712	Y298-L339 HydrophobicContact CD1-CD1 4.32Å; Y298-L339 HydrophobicContact CE1-CD1 4.35Å; E335-L339 WeakPolarHBondContact O-CB 3.44Å; E335-L339 VanDerWaalsContact O-CG 3.22Å; E335-L339 WeakPolarHBondContact O-CG 3.31Å; E335-L339 PolarHBondContact O-N 3.36Å; S336-L339 PolarHBondContact O-N 3.01Å; L339-L342 HydrophobicContact CD2-CD1 4.43Å; L339-L342 PolarHBondContact O-N 2.69Å; L339-Y343 PolarHBondContact O-N 3.28Å; L339-P712 HydrophobicContact CD2-CB 3.95Å
340	M	94.4	Very high	95	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-44.1	170.1	-71.5	-178.3	-179	0	0	111.3	I104 L107 L176 V331 S336 L342 Y343 H344	I104-M340 HydrophobicContact CG2-CB 4.29Å; I104-M340 HydrophobicContact CG2-CG 4Å; I104-M340 HydrophobicContact CG2-SD 4.09Å; L107-M340 HydrophobicContact CB-CE 4.2Å; L107-M340 HydrophobicContact CD1-CE 4.2Å; L176-M340 HydrophobicContact CB-CE 4.45Å; L176-M340 HydrophobicContact CB-CG 4.24Å; L176-M340 HydrophobicContact CD2-CG 4.45Å; V331-M340 HydrophobicContact CG1-CE 4.29Å; V331-M340 HydrophobicContact CG2-CE 4.44Å; S336-M340 WeakPolarHBondContact O-CB 3.2Å; S336-M340 WeakPolarHBondContact O-CG 3.47Å; S336-M340 PolarHBondContact O-N 2.68Å; M340-L342 VanDerWaalsContact C-N 3.34Å; M340-L342 PolarHBondContact O-N 3.22Å; M340-Y343 WeakPolarHBondContact O-CB 3.41Å; M340-Y343 PolarHBondContact O-N 2.79Å; M340-Y343 VanDerWaalsContact O-N 3.1Å; M340-H344 PolarHBondContact O-CD2 3.26Å; M340-H344 PolarHBondContact O-N 3.13Å
341	G	94.4	Very high	94.9	Very high	13 Å²	13	47.4 Å²	47.4	13%	0.134	23%	0.226	C	C	.	.	H	α-helix	trans	-55.9	-46.6	173.6	0	0	0	0	0	112.7	K337 A338 Y343 H344 G345	K337-G341 PolarHBondContact O-N 2.9Å; A338-G341 PolarHBondContact O-N 3.35Å; G341-Y343 PolarHBondContact O-N 3.21Å; G341-H344 PolarHBondContact O-N 3.06Å; G341-G345 PolarHBondContact O-N 3Å
342	L	96.5	Very high	94.9	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.058	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-34.1	174.7	-72.4	169.5	0	0	0	113.2	A338 L339 M340 Q346 D701 I702 V705 P712 G715	A338-L342 PolarHBondContact O-N 3.45Å; L339-L342 HydrophobicContact CD2-CD1 4.43Å; L339-L342 PolarHBondContact O-N 2.69Å; M340-L342 VanDerWaalsContact C-N 3.34Å; M340-L342 PolarHBondContact O-N 3.22Å; L342-Q346 WeakPolarHBondContact O-CB 3.47Å; L342-Q346 PolarHBondContact O-N 3.22Å; L342-D701 HydrophobicContact CD2-CB 4.25Å; L342-I702 HydrophobicContact CD2-CD1 4.06Å; L342-I702 WeakPolarHBondContact O-CD1 3.45Å; L342-V705 HydrophobicContact CD1-CG1 4.13Å; L342-V705 HydrophobicContact CD1-CG2 4.11Å; L342-V705 HydrophobicContact CD2-CB 4.07Å; L342-V705 HydrophobicContact CD2-CG1 4.4Å; L342-V705 HydrophobicContact CD2-CG2 3.8Å; L342-P712 HydrophobicContact CD1-CB 4.28Å; L342-G715 WeakPolarHBondContact CD2-O 3.43Å
343	Y	94.6	Very high	94.8	Very high	109 Å²	109	51 Å²	51	43%	0.427	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-49.9	172.4	176.6	-84.9	0	0	0	111.3	I104 L176 L339 M340 G341 G345 Q346 V347	I104-Y343 HydrophobicContact CD1-CD1 3.55Å; I104-Y343 HydrophobicContact CD1-CD2 4.41Å; I104-Y343 HydrophobicContact CD1-CE1 3.38Å; I104-Y343 HydrophobicContact CD1-CE2 4.25Å; I104-Y343 HydrophobicContact CD1-CG 4.09Å; L176-Y343 HydrophobicContact CD2-CD2 3.89Å; L176-Y343 HydrophobicContact CD2-CG 3.82Å; L339-Y343 PolarHBondContact O-N 3.28Å; M340-Y343 WeakPolarHBondContact O-CB 3.41Å; M340-Y343 PolarHBondContact O-N 2.79Å; M340-Y343 VanDerWaalsContact O-N 3.1Å; G341-Y343 PolarHBondContact O-N 3.21Å; Y343-G345 PolarHBondContact O-N 2.98Å; Y343-Q346 PolarHBondContact O-N 3.01Å; Y343-V347 HydrophobicContact CD1-CG2 4.15Å; Y343-V347 HydrophobicContact CE1-CG2 3.64Å; Y343-V347 HydrophobicContact CE2-CG2 4.47Å; Y343-V347 WeakPolarHBondContact O-CG2 3.27Å; Y343-V347 PolarHBondContact O-N 2.95Å
344	H	92.5	Very high	94.9	Very high	59 Å²	59	52.2 Å²	52.2	27%	0.273	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-43.9	178.1	-71.7	-75	0	0	0	111.6	I104 N105 M340 G341 Q346 V347 L348	I104-H344 WeakPolarHBondContact CG2-NE2 3.49Å; N105-H344 PolarHBondContact OD1-CE1 2.94Å; M340-H344 PolarHBondContact O-CD2 3.26Å; M340-H344 PolarHBondContact O-N 3.13Å; G341-H344 PolarHBondContact O-N 3.06Å; H344-Q346 VanDerWaalsContact C-N 3.35Å; H344-Q346 PolarHBondContact O-N 3.08Å; H344-V347 PolarHBondContact O-N 3.25Å; H344-L348 WeakPolarHBondContact O-CG 3.48Å; H344-L348 PolarHBondContact O-N 2.93Å
345	G	95.1	Very high	94.9	Very high	5 Å²	5	48.2 Å²	48.2	5%	0.052	24%	0.238	C	C	.	.	H	α-helix	trans	-56.4	-45.7	172.6	0	0	0	0	0	112.3	G341 Y343 V347 L348 C349	G341-G345 PolarHBondContact O-N 3Å; Y343-G345 PolarHBondContact O-N 2.98Å; G345-V347 VanDerWaalsContact C-N 3.33Å; G345-V347 PolarHBondContact O-N 2.92Å; G345-L348 PolarHBondContact O-N 3.06Å; G345-C349 WeakPolarHBondContact O-CB 3.29Å; G345-C349 PolarHBondContact O-N 2.94Å; G345-C349 PolarHBondContact O-SG 2.92Å
346	Q	95.1	Very high	94.8	Very high	36 Å²	36	50 Å²	50	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-32.7	179.2	-158.5	-164	78	0	0	112.4	L342 Y343 H344 L348 K350 V535 I702 F706	L342-Q346 WeakPolarHBondContact O-CB 3.47Å; L342-Q346 PolarHBondContact O-N 3.22Å; Y343-Q346 PolarHBondContact O-N 3.01Å; H344-Q346 VanDerWaalsContact C-N 3.35Å; H344-Q346 PolarHBondContact O-N 3.08Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-K350 VanDerWaalsContact CD-NZ 3.35Å; Q346-K350 HydrophobicContact CG-CD 4.26Å; Q346-K350 WeakPolarHBondContact O-CB 3.23Å; Q346-K350 WeakPolarHBondContact O-CG 3.46Å; Q346-K350 PolarHBondContact O-N 2.77Å; Q346-K350 VanDerWaalsContact O-N 3.1Å; Q346-V535 HydrophobicContact CG-CG1 4.15Å; Q346-V535 HydrophobicContact CG-CG2 3.75Å; Q346-I702 HydrophobicContact CB-CD1 4.04Å; Q346-I702 VanDerWaalsContact N-CD1 3.32Å; Q346-F706 HydrophobicContact CG-CE2 4.46Å; Q346-F706 HydrophobicContact CG-CZ 4.4Å
347	V	92.4	Very high	94.9	Very high	56 Å²	56	50.9 Å²	50.9	34%	0.339	27%	0.269	S	S	.	.	H	α-helix	trans	-69.5	-30.9	174.5	168.8	0	0	0	0	112.1	Y343 H344 G345 K351	Y343-V347 HydrophobicContact CD1-CG2 4.15Å; Y343-V347 HydrophobicContact CE1-CG2 3.64Å; Y343-V347 HydrophobicContact CE2-CG2 4.47Å; Y343-V347 WeakPolarHBondContact O-CG2 3.27Å; Y343-V347 PolarHBondContact O-N 2.95Å; H344-V347 PolarHBondContact O-N 3.25Å; G345-V347 VanDerWaalsContact C-N 3.33Å; G345-V347 PolarHBondContact O-N 2.92Å; V347-K351 WeakPolarHBondContact O-CE 3.24Å; V347-K351 WeakPolarHBondContact O-CG 3.49Å
348	L	93.4	Very high	95.1	Very high	103 Å²	103	55.5 Å²	55.5	54%	0.539	29%	0.292	S	S	.	.	H	α-helix	trans	-73.7	-48.5	171.3	-65.8	172.9	0	0	0	111.1	H344 G345 Q346 K350 K351	H344-L348 WeakPolarHBondContact O-CG 3.48Å; H344-L348 PolarHBondContact O-N 2.93Å; G345-L348 PolarHBondContact O-N 3.06Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; L348-K350 PolarHBondContact O-N 3.49Å; L348-K351 WeakPolarHBondContact O-CB 3.18Å; L348-K351 PolarHBondContact O-N 2.78Å
349	C	96.5	Very high	95	Very high	7 Å²	7	59.9 Å²	59.9	5%	0.047	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	1.5	177.7	-61.2	0	0	0	0	114.2	G345 V535 I536 I702	G345-C349 WeakPolarHBondContact O-CB 3.29Å; G345-C349 PolarHBondContact O-N 2.94Å; G345-C349 PolarHBondContact O-SG 2.92Å; C349-V535 HydrophobicContact CB-CG1 3.58Å; C349-I536 WeakPolarHBondContact CA-O 3.48Å; C349-I536 WeakPolarHBondContact CB-O 3.26Å; C349-I536 PolarHBondContact O-N 3.26Å; C349-I702 HydrophobicContact CB-CG2 4.08Å
350	K	95.3	Very high	95	Very high	95 Å²	95	64 Å²	64	41%	0.413	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	15.5	170.3	-78.8	175.4	171.4	167.8	0	113.3	Q346 L348 L530 V535	Q346-K350 VanDerWaalsContact CD-NZ 3.35Å; Q346-K350 HydrophobicContact CG-CD 4.26Å; Q346-K350 WeakPolarHBondContact O-CB 3.23Å; Q346-K350 WeakPolarHBondContact O-CG 3.46Å; Q346-K350 PolarHBondContact O-N 2.77Å; Q346-K350 VanDerWaalsContact O-N 3.1Å; L348-K350 PolarHBondContact O-N 3.49Å; K350-L530 HydrophobicContact CB-CD2 4.49Å; K350-V535 HydrophobicContact CG-CG2 4.49Å
351	K	94.4	Very high	95.2	Very high	125 Å²	125	64.1 Å²	64.1	54%	0.543	33%	0.334	S	S	.	.	S	Bend	trans	-117.5	151.1	173.6	-63	170.1	-172.7	173.7	0	109.6	V347 L348 K353	V347-K351 WeakPolarHBondContact O-CE 3.24Å; V347-K351 WeakPolarHBondContact O-CG 3.49Å; L348-K351 WeakPolarHBondContact O-CB 3.18Å; L348-K351 PolarHBondContact O-N 2.78Å; K351-K353 PolarHBondContact O-N 3.06Å
352	N	95.4	Very high	95.4	Very high	42 Å²	42	70.3 Å²	70.3	23%	0.225	36%	0.357	C	S	.	.			trans	-78.3	110.1	174.9	-162.9	-33.7	0	0	0	110.5	F354 G355 A523 V526 A527 L530	N352-F354 PolarHBondContact O-N 2.8Å; N352-F354 PolarHBondContact OD1-N 3.24Å; N352-F354 VanDerWaalsContact OD1-N 3.07Å; N352-G355 WeakPolarHBondContact CB-O 3.48Å; N352-G355 PolarHBondContact ND2-O 2.78Å; N352-G355 PolarHBondContact OD1-O 2.99Å; N352-A523 PolarHBondContact ND2-O 2.81Å; N352-V526 HydrophobicContact CB-CG1 4.02Å; N352-V526 VanDerWaalsContact CG-CG1 3.48Å; N352-V526 WeakPolarHBondContact OD1-CG1 3.24Å; N352-A527 PolarHBondContact ND2-N 2.87Å; N352-L530 HydrophobicContact CB-CD1 3.97Å
353	K	91.6	Very high	95.5	Very high	96 Å²	96	73.5 Å²	73.5	42%	0.417	37%	0.371	S	S	.	.	S	Bend	trans	-59.6	-26	-179	-169.8	172.8	-178.4	174.1	0	113.5	K351 V538 E699	K351-K353 PolarHBondContact O-N 3.06Å; K353-V538 HydrophobicContact CD-CB 4.2Å; K353-V538 HydrophobicContact CD-CG2 4.1Å; K353-E699 IonicContact NZ-OE1 2.7Å; K353-E699 PolarHBondContact NZ-OE1 3.32Å; K353-E699 IonicContact NZ-OE2 2.8Å; K353-E699 PolarHBondContact NZ-OE2 3.07Å
354	F	96	Very high	95.7	Very high	49 Å²	49	68.4 Å²	68.4	22%	0.215	35%	0.352	C	S	.	.	S	Bend	trans	-102.6	-19.1	-173	-62	-68	0	0	0	114.8	N352 R519 S522 A523 V526 V538	N352-F354 PolarHBondContact O-N 2.8Å; N352-F354 PolarHBondContact OD1-N 3.24Å; N352-F354 VanDerWaalsContact OD1-N 3.07Å; F354-R519 HydrophobicContact CB-CG 4.37Å; F354-R519 HydrophobicContact CD1-CG 4Å; F354-R519 HydrophobicContact CG-CG 4.46Å; F354-R519 PolarHBondContact O-NH2 3.34Å; F354-S522 VanDerWaalsContact CE2-CB 3.48Å; F354-A523 HydrophobicContact CB-CB 3.71Å; F354-V526 HydrophobicContact CD2-CG2 4.04Å; F354-V526 HydrophobicContact CE2-CG2 4.11Å; F354-V538 HydrophobicContact CE2-CG1 3.99Å; F354-V538 HydrophobicContact CE2-CG2 4.18Å; F354-V538 HydrophobicContact CZ-CG1 3.92Å
355	G	95.3	Very high	96	Very high	36 Å²	36	65.6 Å²	65.6	37%	0.371	34%	0.339	S	S	.	.			trans	117.2	-163.4	-172.1	0	0	0	0	0	112.2	N352	N352-G355 WeakPolarHBondContact CB-O 3.48Å; N352-G355 PolarHBondContact ND2-O 2.78Å; N352-G355 PolarHBondContact OD1-O 2.99Å
356	A	96.2	Very high	96.1	Very high	94 Å²	94	65.4 Å²	65.4	78%	0.777	34%	0.336	S	S	*	.			trans	-80.1	144.5	163.5	0	0	0	0	0	109.5
357	P	97.3	Very high	96.3	Very high	20 Å²	20	63.8 Å²	63.8	13%	0.13	33%	0.329	C	S	.	.			trans	-69.4	164.2	170.6	32.2	-36.2	0	0	0	111.3	K359 A523 A527	P357-K359 PolarHBondContact O-N 3.34Å; P357-A523 HydrophobicContact CB-CB 4.24Å; P357-A527 HydrophobicContact CG-CB 4.31Å
358	Q	96.6	Very high	96.5	Very high	183 Å²	183	61.6 Å²	61.6	86%	0.855	32%	0.317	S	S	*	.	S	Bend	trans	-67.1	-27.7	172.4	-64	-177.8	0.7	0	0	112.2	D520	Q358-D520 WeakPolarHBondContact CB-OD1 3.39Å; Q358-D520 PolarHBondContact N-OD1 3.09Å
359	K	94.7	Very high	96.7	Very high	92 Å²	92	56.7 Å²	56.7	40%	0.4	29%	0.291	S	S	.	.	S	Bend	trans	-135.6	119	179.3	-162.7	-173.6	-166.4	-166.2	0	111.3	P357 D442 H469	P357-K359 PolarHBondContact O-N 3.34Å; K359-D442 WeakPolarHBondContact CE-OD1 3.1Å; K359-D442 IonicContact NZ-OD1 2.94Å; K359-D442 PolarHBondContact NZ-OD1 2.83Å; K359-H469 PolarHBondContact NZ-CD2 2.59Å; K359-H469 PolarHBondContact NZ-CE1 2.99Å; K359-H469 PolarHBondContact NZ-NE2 3.35Å
360	D	97.6	Very high	96.4	Very high	107 Å²	107	57.3 Å²	57.3	57%	0.572	30%	0.3	S	S	*	.			trans	-68.2	130.9	168.3	-80.3	-40.2	0	0	0	111.2	K362	D360-K362 PolarHBondContact O-N 3.34Å
361	V	98.4	Very high	96.1	Very high	8 Å²	8	57.8 Å²	57.8	5%	0.048	31%	0.306	C	S	.	.			trans	-67.9	119	173.7	174	0	0	0	0	110.5	L364 L385 D442 M443 V528	V361-L364 HydrophobicContact CG1-CB 4.45Å; V361-L385 HydrophobicContact CG1-CD2 4.11Å; V361-L385 VanDerWaalsContact O-CD2 3.23Å; V361-L385 WeakPolarHBondContact O-CD2 3.11Å; V361-D442 HydrophobicContact CB-CB 4.18Å; V361-D442 HydrophobicContact CG1-CB 4.11Å; V361-D442 HydrophobicContact CG2-CB 4.02Å; V361-M443 HydrophobicContact CG1-CB 4.03Å; V361-M443 HydrophobicContact CG2-CB 3.84Å; V361-M443 HydrophobicContact CG2-CE 4.03Å; V361-V528 HydrophobicContact CB-CG2 3.65Å; V361-V528 HydrophobicContact CG1-CG2 4.04Å; V361-V528 HydrophobicContact CG2-CG2 3.63Å
362	K	98	Very high	96.1	Very high	143 Å²	143	53.7 Å²	53.7	62%	0.622	29%	0.289	S	S	*	.			trans	-111.3	-37.8	175.8	-63.8	172.3	-173.4	176.1	0	110.9	D360 K386 D442	D360-K362 PolarHBondContact O-N 3.34Å; K362-K386 PolarHBondContact O-N 2.95Å; K362-D442 WeakPolarHBondContact CA-OD2 3.3Å; K362-D442 PolarHBondContact N-OD2 2.84Å
363	H	98.4	Very high	96.1	Very high	78 Å²	78	51.7 Å²	51.7	36%	0.361	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.1	176.5	-65.8	-92.6	0	0	0	110.3	K440 D442 M443	H363-K440 VanDerWaalsContact CB-O 3.31Å; H363-K440 WeakPolarHBondContact CB-O 3.4Å; H363-D442 PolarHBondContact N-OD2 3.05Å; H363-D442 PolarHBondContact O-N 2.98Å; H363-M443 PolarHBondContact O-N 3.05Å
364	L	98.8	Very high	96.4	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	143.1	175.7	-178	66.4	0	0	0	109.3	V361 I366 S380 L385 K386 T387 I388 M443 I445	V361-L364 HydrophobicContact CG1-CB 4.45Å; L364-I366 HydrophobicContact CD2-CD1 4.16Å; L364-I366 HydrophobicContact CD2-CG1 4.3Å; L364-I366 HydrophobicContact CG-CG1 4.29Å; L364-S380 WeakPolarHBondContact CD2-OG 3.5Å; L364-L385 HydrophobicContact CD2-CD1 4.46Å; L364-K386 PolarHBondContact N-O 3.39Å; L364-T387 HydrophobicContact CB-CG2 4.43Å; L364-T387 HydrophobicContact CD2-CG2 4.07Å; L364-T387 HydrophobicContact CG-CG2 4.3Å; L364-T387 CarbonylContact O-C 3.58Å; L364-T387 VanDerWaalsContact O-CA 3.29Å; L364-T387 WeakPolarHBondContact O-CA 3.42Å; L364-I388 PolarHBondContact O-N 3.17Å; L364-M443 WeakPolarHBondContact CA-O 3.25Å; L364-M443 HydrophobicContact CD1-CB 4.01Å; L364-M443 HydrophobicContact CD1-CG 4.02Å; L364-M443 HydrophobicContact CD1-SD 4.31Å; L364-I445 HydrophobicContact CD1-CD1 3.88Å; L364-I445 HydrophobicContact CD1-CG1 4.05Å; L364-I445 HydrophobicContact CD2-CD1 4.4Å
365	A	98.8	Very high	96.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	148.7	164.4	0	0	0	0	0	110.9	I388 F438 M443 V444 I445	A365-I388 CarbonylContact C-O 3.27Å; A365-I388 WeakPolarHBondContact CA-O 3.16Å; A365-I388 HydrophobicContact CB-CB 4.02Å; A365-I388 HydrophobicContact CB-CG2 4.38Å; A365-F438 HydrophobicContact CB-CD1 4.14Å; A365-F438 HydrophobicContact CB-CE1 3.58Å; A365-F438 HydrophobicContact CB-CE2 4.24Å; A365-F438 HydrophobicContact CB-CZ 3.65Å; A365-M443 PolarHBondContact N-O 3.46Å; A365-V444 HydrophobicContact CB-CG1 4.18Å; A365-V444 HydrophobicContact CB-CG2 4.21Å; A365-V444 CarbonylContact O-C 3.53Å; A365-V444 VanDerWaalsContact O-CA 3.32Å; A365-V444 WeakPolarHBondContact O-CA 3.35Å; A365-I445 PolarHBondContact O-N 2.94Å
366	I	98.8	Very high	96.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.9	-179.2	-59.8	172.5	0	0	0	108.9	L364 I376 A377 T387 I388 L389 K390 I445	L364-I366 HydrophobicContact CD2-CD1 4.16Å; L364-I366 HydrophobicContact CD2-CG1 4.3Å; L364-I366 HydrophobicContact CG-CG1 4.29Å; I366-I376 HydrophobicContact CD1-CB 4.09Å; I366-I376 HydrophobicContact CD1-CG2 3.71Å; I366-I376 HydrophobicContact CG1-CG2 4.38Å; I366-A377 VanDerWaalsContact CD1-CA 3.42Å; I366-A377 HydrophobicContact CD1-CB 3.74Å; I366-A377 VanDerWaalsContact CD1-N 3.32Å; I366-T387 HydrophobicContact CD1-CG2 3.54Å; I366-T387 HydrophobicContact CG1-CG2 4.02Å; I366-I388 PolarHBondContact N-O 3.5Å; I366-L389 HydrophobicContact CB-CD1 4.03Å; I366-L389 HydrophobicContact CG2-CD1 3.91Å; I366-K390 PolarHBondContact O-N 2.98Å; I366-I445 WeakPolarHBondContact CA-O 3.38Å; I366-I445 HydrophobicContact CG1-CB 4.49Å
367	L	98.5	Very high	96.7	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.8	-175.5	-53.8	157.8	0	0	0	109.6	K390 Y435 F438 V444 I445 E446 A447 V448 V458 V462 F472	L367-K390 HydrophobicContact CD2-CB 4.27Å; L367-K390 HydrophobicContact CD2-CD 4.04Å; L367-K390 HydrophobicContact CD2-CG 4.46Å; L367-Y435 HydrophobicContact CD2-CE1 3.91Å; L367-F438 HydrophobicContact CD2-CE1 3.88Å; L367-F438 HydrophobicContact CD2-CZ 3.83Å; L367-V444 HydrophobicContact CD1-CG1 3.49Å; L367-V444 VanDerWaalsContact CD1-CG1 3.49Å; L367-V444 HydrophobicContact CD2-CG1 4.45Å; L367-V444 HydrophobicContact CG-CG1 3.79Å; L367-I445 PolarHBondContact N-O 3.36Å; L367-E446 HydrophobicContact CD1-CB 4.08Å; L367-A447 CarbonylContact O-C 3.59Å; L367-A447 VanDerWaalsContact O-C 3.25Å; L367-A447 WeakPolarHBondContact O-CA 3.39Å; L367-A447 PolarHBondContact O-N 3.49Å; L367-V448 HydrophobicContact CB-CG1 4.49Å; L367-V458 HydrophobicContact CD1-CG1 3.64Å; L367-V462 HydrophobicContact CD1-CG2 3.92Å; L367-V462 HydrophobicContact CD2-CG2 4.07Å; L367-F472 HydrophobicContact CD1-CE2 4.14Å
368	G	97.1	Very high	96.8	Very high	9 Å²	9	38.1 Å²	38.1	9%	0.093	19%	0.19	C	C	.	.			trans	97.8	114.2	-173.2	0	0	0	0	0	112	G370 G373 K390	G368-G370 PolarHBondContact O-N 2.97Å; G368-G373 WeakPolarHBondContact O-CA 3.29Å; G368-K390 PolarHBondContact N-O 3.21Å
369	A	96.2	Very high	96.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.			trans	-89.5	22.9	175.4	0	0	0	0	0	112.9	L389 D391 G396 L397 G400	A369-L389 HydrophobicContact CB-CD1 4.3Å; A369-L389 HydrophobicContact CB-CD2 4.07Å; A369-L389 HydrophobicContact CB-CG 4.08Å; A369-D391 HydrophobicContact CB-CB 3.86Å; A369-D391 WeakPolarHBondContact CB-OD2 3.39Å; A369-D391 PolarHBondContact N-OD2 2.85Å; A369-G396 VanDerWaalsContact CB-O 3.29Å; A369-G396 WeakPolarHBondContact CB-O 3.49Å; A369-L397 HydrophobicContact CB-CD1 4.39Å; A369-G400 VanDerWaalsContact O-CA 3.31Å; A369-G400 WeakPolarHBondContact O-CA 3.3Å
370	G	90.9	Very high	97	Very high	21 Å²	21	25.7 Å²	25.7	22%	0.216	13%	0.134	C	C	.	.	S	Bend	trans	-68.4	178.5	170	0	0	0	0	0	113.3	G368 M372 G373 A374	G368-G370 PolarHBondContact O-N 2.97Å; G370-M372 PolarHBondContact O-N 3.34Å; G370-M372 VanDerWaalsContact O-N 3.09Å; G370-G373 PolarHBondContact O-N 2.86Å; G370-A374 WeakPolarHBondContact O-CB 3.39Å; G370-A374 PolarHBondContact O-N 3.26Å
371	L	89.3	Confident	97.1	Very high	105 Å²	105	20.7 Å²	20.7	55%	0.55	11%	0.107	S	C	.	.	H	α-helix	trans	-48.4	-42.2	-175.6	179.5	66.9	0	0	0	113.5	G375 Q403	L371-G375 PolarHBondContact O-N 3.11Å; L371-Q403 PolarHBondContact O-NE2 2.88Å
372	M	93.6	Very high	96.8	Very high	39 Å²	39	21.5 Å²	21.5	19%	0.192	11%	0.112	C	C	.	.	H	α-helix	trans	-73	-58.2	-179.8	-64.6	-56.9	-75.3	0	0	111.9	G370 A374 G375 I376 Y499 V503	G370-M372 PolarHBondContact O-N 3.34Å; G370-M372 VanDerWaalsContact O-N 3.09Å; M372-A374 VanDerWaalsContact C-N 3.33Å; M372-A374 PolarHBondContact O-N 3.13Å; M372-G375 CarbonylContact O-C 3.52Å; M372-G375 WeakPolarHBondContact O-CA 3.39Å; M372-G375 PolarHBondContact O-N 3.37Å; M372-I376 WeakPolarHBondContact O-CG1 3.35Å; M372-I376 PolarHBondContact O-N 3.22Å; M372-Y499 WeakPolarHBondContact CE-O 3.46Å; M372-V503 HydrophobicContact CE-CG2 3.5Å; M372-V503 VanDerWaalsContact CE-CG2 3.5Å; M372-V503 HydrophobicContact SD-CG2 3.73Å
373	G	97	Very high	96.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.7	-40.4	-178.9	0	0	0	0	0	113.4	G368 G370 G375 I376 A377	G368-G373 WeakPolarHBondContact O-CA 3.29Å; G370-G373 PolarHBondContact O-N 2.86Å; G373-G375 VanDerWaalsContact C-N 3.32Å; G373-G375 PolarHBondContact O-N 3.09Å; G373-I376 PolarHBondContact O-N 2.92Å; G373-A377 WeakPolarHBondContact O-CB 3.31Å; G373-A377 PolarHBondContact O-N 2.9Å
374	A	97.4	Very high	96.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-35.1	172.1	0	0	0	0	0	112.8	G370 M372 Q378 Q403 V404	G370-A374 WeakPolarHBondContact O-CB 3.39Å; G370-A374 PolarHBondContact O-N 3.26Å; M372-A374 VanDerWaalsContact C-N 3.33Å; M372-A374 PolarHBondContact O-N 3.13Å; A374-Q378 WeakPolarHBondContact O-CB 3.18Å; A374-Q378 PolarHBondContact O-N 2.81Å; A374-Q403 HydrophobicContact CB-CB 4.1Å; A374-Q403 HydrophobicContact CB-CG 4.2Å; A374-V404 VanDerWaalsContact O-CG2 3.27Å; A374-V404 WeakPolarHBondContact O-CG2 3.4Å
375	G	97.3	Very high	96.5	Very high	1 Å²	1	17 Å²	17	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-68.1	-42.1	172.8	0	0	0	0	0	113.2	L371 M372 G373 A377 Q378 V379	L371-G375 PolarHBondContact O-N 3.11Å; M372-G375 CarbonylContact O-C 3.52Å; M372-G375 WeakPolarHBondContact O-CA 3.39Å; M372-G375 PolarHBondContact O-N 3.37Å; G373-G375 VanDerWaalsContact C-N 3.32Å; G373-G375 PolarHBondContact O-N 3.09Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-Q378 PolarHBondContact O-N 3.32Å; G375-V379 PolarHBondContact O-N 2.94Å; G375-V379 VanDerWaalsContact O-N 3.12Å
376	I	98.6	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.7	-40.9	175	-61.1	163.8	0	0	0	110	I366 M372 G373 V379 S380 I445 A447 N475 Y499 V503	I366-I376 HydrophobicContact CD1-CB 4.09Å; I366-I376 HydrophobicContact CD1-CG2 3.71Å; I366-I376 HydrophobicContact CG1-CG2 4.38Å; M372-I376 WeakPolarHBondContact O-CG1 3.35Å; M372-I376 PolarHBondContact O-N 3.22Å; G373-I376 PolarHBondContact O-N 2.92Å; I376-V379 VanDerWaalsContact O-CG2 3.3Å; I376-V379 WeakPolarHBondContact O-CG2 3.48Å; I376-V379 PolarHBondContact O-N 3.03Å; I376-S380 WeakPolarHBondContact O-CB 3.14Å; I376-S380 PolarHBondContact O-N 3.29Å; I376-S380 VanDerWaalsContact O-N 3.16Å; I376-S380 PolarHBondContact O-OG 3.4Å; I376-I445 HydrophobicContact CD1-CG2 4.13Å; I376-I445 HydrophobicContact CG2-CD1 3.79Å; I376-I445 HydrophobicContact CG2-CG2 4.49Å; I376-A447 HydrophobicContact CD1-CB 4.31Å; I376-N475 HydrophobicContact CD1-CB 4.36Å; I376-Y499 HydrophobicContact CD1-CD2 3.48Å; I376-Y499 VanDerWaalsContact CD1-CD2 3.48Å; I376-Y499 HydrophobicContact CD1-CE2 3.81Å; I376-Y499 HydrophobicContact CD1-CG 4.04Å; I376-Y499 HydrophobicContact CG1-CD1 4.21Å; I376-Y499 HydrophobicContact CG1-CD2 3.73Å; I376-Y499 HydrophobicContact CG1-CE1 4.39Å; I376-Y499 HydrophobicContact CG1-CE2 3.94Å; I376-Y499 HydrophobicContact CG1-CG 3.87Å; I376-Y499 HydrophobicContact CG2-CE2 4.07Å; I376-V503 HydrophobicContact CG1-CG1 3.95Å; I376-V503 HydrophobicContact CG1-CG2 4.32Å
377	A	98.6	Very high	96.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.5	-49.8	174.2	0	0	0	0	0	111.2	I366 G373 G375 V379 S380 V381 T387 L389 V404 L429	I366-A377 VanDerWaalsContact CD1-CA 3.42Å; I366-A377 HydrophobicContact CD1-CB 3.74Å; I366-A377 VanDerWaalsContact CD1-N 3.32Å; G373-A377 WeakPolarHBondContact O-CB 3.31Å; G373-A377 PolarHBondContact O-N 2.9Å; G375-A377 VanDerWaalsContact C-N 3.34Å; A377-V379 PolarHBondContact O-N 3Å; A377-S380 PolarHBondContact O-N 3.2Å; A377-V381 WeakPolarHBondContact O-CG2 3.5Å; A377-V381 PolarHBondContact O-N 3.03Å; A377-T387 HydrophobicContact CB-CG2 4.42Å; A377-L389 HydrophobicContact CB-CD1 4.45Å; A377-V404 HydrophobicContact CB-CG2 3.98Å; A377-L429 HydrophobicContact CB-CD1 3.86Å
378	Q	98.3	Very high	96.5	Very high	9 Å²	9	24 Å²	24	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-58.8	-42.4	-180	-169.3	-167.5	-27.1	0	0	112.8	A374 G375 S380 D382 V404	A374-Q378 WeakPolarHBondContact O-CB 3.18Å; A374-Q378 PolarHBondContact O-N 2.81Å; G375-Q378 PolarHBondContact O-N 3.32Å; Q378-S380 VanDerWaalsContact C-N 3.26Å; Q378-S380 PolarHBondContact O-N 3.21Å; Q378-D382 WeakPolarHBondContact O-CB 3.19Å; Q378-D382 PolarHBondContact O-N 2.97Å; Q378-V404 HydrophobicContact CB-CB 4.44Å; Q378-V404 HydrophobicContact CB-CG1 4.17Å; Q378-V404 HydrophobicContact CB-CG2 4.13Å; Q378-V404 HydrophobicContact CG-CG1 4.28Å
379	V	97.9	Very high	96.6	Very high	14 Å²	14	23.6 Å²	23.6	9%	0.085	13%	0.132	C	C	.	.	H	α-helix	trans	-74.1	-18.1	178.3	-60.3	0	0	0	0	113.2	G375 I376 A377 K383 V503 Q532	G375-V379 PolarHBondContact O-N 2.94Å; G375-V379 VanDerWaalsContact O-N 3.12Å; I376-V379 VanDerWaalsContact O-CG2 3.3Å; I376-V379 WeakPolarHBondContact O-CG2 3.48Å; I376-V379 PolarHBondContact O-N 3.03Å; A377-V379 PolarHBondContact O-N 3Å; V379-K383 VanDerWaalsContact O-CG 3.29Å; V379-K383 WeakPolarHBondContact O-CG 3.49Å; V379-V503 HydrophobicContact CG2-CG1 4.24Å; V379-Q532 HydrophobicContact CB-CB 4.41Å; V379-Q532 HydrophobicContact CG2-CB 4.12Å; V379-Q532 HydrophobicContact CG2-CG 4.05Å
380	S	98.4	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-85.9	-50.6	178	-56.5	0	0	0	0	112.3	L364 I376 A377 Q378 D382 K383 L385 Q532	L364-S380 WeakPolarHBondContact CD2-OG 3.5Å; I376-S380 WeakPolarHBondContact O-CB 3.14Å; I376-S380 PolarHBondContact O-N 3.29Å; I376-S380 VanDerWaalsContact O-N 3.16Å; I376-S380 PolarHBondContact O-OG 3.4Å; A377-S380 PolarHBondContact O-N 3.2Å; Q378-S380 VanDerWaalsContact C-N 3.26Å; Q378-S380 PolarHBondContact O-N 3.21Å; S380-D382 VanDerWaalsContact C-N 3.32Å; S380-D382 PolarHBondContact O-N 3.04Å; S380-K383 WeakPolarHBondContact O-CA 3.44Å; S380-K383 WeakPolarHBondContact O-CB 3.45Å; S380-K383 PolarHBondContact O-N 2.91Å; S380-L385 WeakPolarHBondContact O-CB 3.46Å; S380-L385 PolarHBondContact O-N 2.97Å; S380-Q532 PolarHBondContact OG-NE2 2.99Å
381	V	98.1	Very high	97	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-66.7	-33.5	179.9	-59.3	0	0	0	0	112.2	A377 K383 G384 V404 I425 N428 L429	A377-V381 WeakPolarHBondContact O-CG2 3.5Å; A377-V381 PolarHBondContact O-N 3.03Å; V381-K383 PolarHBondContact O-N 3.11Å; V381-G384 PolarHBondContact O-N 3.19Å; V381-V404 HydrophobicContact CG2-CG1 4.06Å; V381-I425 HydrophobicContact CB-CG2 4.07Å; V381-I425 HydrophobicContact CG2-CG2 3.79Å; V381-N428 HydrophobicContact CB-CB 4.41Å; V381-N428 HydrophobicContact CG1-CB 4.34Å; V381-L429 HydrophobicContact CG1-CB 4.14Å; V381-L429 HydrophobicContact CG1-CD1 4.2Å
382	D	93.3	Very high	97.3	Very high	26 Å²	26	24.2 Å²	24.2	14%	0.139	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	6.9	170.8	-174	82.7	0	0	0	114	Q378 S380 L408 K411	Q378-D382 WeakPolarHBondContact O-CB 3.19Å; Q378-D382 PolarHBondContact O-N 2.97Å; S380-D382 VanDerWaalsContact C-N 3.32Å; S380-D382 PolarHBondContact O-N 3.04Å; D382-L408 HydrophobicContact CB-CD2 4.32Å; D382-K411 IonicContact OD1-NZ 2.61Å; D382-K411 PolarHBondContact OD1-NZ 2.89Å; D382-K411 IonicContact OD2-NZ 2.77Å; D382-K411 PolarHBondContact OD2-NZ 2.63Å
383	K	95.2	Very high	97.5	Very high	78 Å²	78	25.9 Å²	25.9	34%	0.339	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.8	13.8	174.7	-54.8	-68.8	172.6	-59.5	0	112.6	V379 S380 V381 L385 K531	V379-K383 VanDerWaalsContact O-CG 3.29Å; V379-K383 WeakPolarHBondContact O-CG 3.49Å; S380-K383 WeakPolarHBondContact O-CA 3.44Å; S380-K383 WeakPolarHBondContact O-CB 3.45Å; S380-K383 PolarHBondContact O-N 2.91Å; V381-K383 PolarHBondContact O-N 3.11Å; K383-L385 VanDerWaalsContact C-N 3.3Å; K383-L385 PolarHBondContact O-N 3.16Å; K383-K531 HydrophobicContact CB-CG 4.29Å; K383-K531 WeakPolarHBondContact CD-O 3.48Å; K383-K531 WeakPolarHBondContact CG-O 3.34Å
384	G	95.9	Very high	97.5	Very high	51 Å²	51	30.7 Å²	30.7	53%	0.526	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	23	179.1	0	0	0	0	0	114.5	V381	V381-G384 PolarHBondContact O-N 3.19Å
385	L	97.4	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.214	C	C	.	.			trans	-78.4	122	164.7	-74.5	165	0	0	0	108.8	V361 L364 S380 K383 T387 K531	V361-L385 HydrophobicContact CG1-CD2 4.11Å; V361-L385 VanDerWaalsContact O-CD2 3.23Å; V361-L385 WeakPolarHBondContact O-CD2 3.11Å; L364-L385 HydrophobicContact CD2-CD1 4.46Å; S380-L385 WeakPolarHBondContact O-CB 3.46Å; S380-L385 PolarHBondContact O-N 2.97Å; K383-L385 VanDerWaalsContact C-N 3.3Å; K383-L385 PolarHBondContact O-N 3.16Å; L385-T387 PolarHBondContact O-N 3.47Å; L385-T387 PolarHBondContact O-OG1 2.78Å; L385-K531 HydrophobicContact CD1-CD 4.22Å; L385-K531 HydrophobicContact CD2-CD 4.14Å; L385-K531 VanDerWaalsContact CD2-NZ 3.27Å; L385-K531 HydrophobicContact CG-CD 4.12Å
386	K	98.4	Very high	97.3	Very high	122 Å²	122	36.3 Å²	36.3	53%	0.53	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	117.4	169.7	-67.4	-173.5	176.6	-172.3	0	107.4	K362 L364	K362-K386 PolarHBondContact O-N 2.95Å; L364-K386 PolarHBondContact N-O 3.39Å
387	T	98.8	Very high	97.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.1	-164.4	-53.6	0	0	0	0	110.2	L364 I366 A377 L385 N428 L429 T430	L364-T387 HydrophobicContact CB-CG2 4.43Å; L364-T387 HydrophobicContact CD2-CG2 4.07Å; L364-T387 HydrophobicContact CG-CG2 4.3Å; L364-T387 CarbonylContact O-C 3.58Å; L364-T387 VanDerWaalsContact O-CA 3.29Å; L364-T387 WeakPolarHBondContact O-CA 3.42Å; I366-T387 HydrophobicContact CD1-CG2 3.54Å; I366-T387 HydrophobicContact CG1-CG2 4.02Å; A377-T387 HydrophobicContact CB-CG2 4.42Å; L385-T387 PolarHBondContact O-N 3.47Å; L385-T387 PolarHBondContact O-OG1 2.78Å; T387-N428 PolarHBondContact N-O 3.39Å; T387-L429 HydrophobicContact CG2-CD1 4.43Å; T387-L429 WeakPolarHBondContact O-CA 3.48Å; T387-T430 PolarHBondContact O-N 3.42Å
388	I	98.8	Very high	97.2	Very high	26 Å²	26	40.4 Å²	40.4	13%	0.133	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	135.4	165.9	-68.5	168.8	0	0	0	108.6	L364 A365 I366 T430 Q432 F438	L364-I388 PolarHBondContact O-N 3.17Å; A365-I388 CarbonylContact C-O 3.27Å; A365-I388 WeakPolarHBondContact CA-O 3.16Å; A365-I388 HydrophobicContact CB-CB 4.02Å; A365-I388 HydrophobicContact CB-CG2 4.38Å; I366-I388 PolarHBondContact N-O 3.5Å; I388-T430 CarbonylContact C-O 3.5Å; I388-T430 WeakPolarHBondContact CA-O 3.25Å; I388-Q432 HydrophobicContact CG2-CG 3.99Å; I388-F438 HydrophobicContact CD1-CD2 4.38Å; I388-F438 HydrophobicContact CG2-CE2 3.75Å; I388-F438 HydrophobicContact CG2-CZ 4.27Å
389	L	98.7	Very high	97.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	113.2	169.8	-176.6	63.2	0	0	0	108.7	I366 A369 A377 L397 Q401 L429 T430 G431 Q432	I366-L389 HydrophobicContact CB-CD1 4.03Å; I366-L389 HydrophobicContact CG2-CD1 3.91Å; A369-L389 HydrophobicContact CB-CD1 4.3Å; A369-L389 HydrophobicContact CB-CD2 4.07Å; A369-L389 HydrophobicContact CB-CG 4.08Å; A377-L389 HydrophobicContact CB-CD1 4.45Å; L389-L397 HydrophobicContact CD2-CD1 4.45Å; L389-L397 HydrophobicContact CG-CD1 4.22Å; L389-L397 VanDerWaalsContact O-CD1 3.26Å; L389-L397 WeakPolarHBondContact O-CD1 3.2Å; L389-Q401 HydrophobicContact CD2-CG 4.4Å; L389-L429 HydrophobicContact CB-CD1 3.95Å; L389-L429 HydrophobicContact CD2-CD1 4.48Å; L389-T430 PolarHBondContact N-O 3.04Å; L389-G431 WeakPolarHBondContact O-CA 3.3Å; L389-Q432 PolarHBondContact O-N 2.91Å
390	K	98.6	Very high	97	Very high	29 Å²	29	46.7 Å²	46.7	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.1	-174.5	-171.3	-90.5	175.8	167.7	0	110.3	I366 L367 G368 Q432 L433 D434 Y435 F438	I366-K390 PolarHBondContact O-N 2.98Å; L367-K390 HydrophobicContact CD2-CB 4.27Å; L367-K390 HydrophobicContact CD2-CD 4.04Å; L367-K390 HydrophobicContact CD2-CG 4.46Å; G368-K390 PolarHBondContact N-O 3.21Å; K390-Q432 WeakPolarHBondContact CA-O 3.32Å; K390-L433 WeakPolarHBondContact CE-O 3.35Å; K390-D434 WeakPolarHBondContact CG-O 3.5Å; K390-Y435 HydrophobicContact CD-CD1 4.43Å; K390-Y435 HydrophobicContact CD-CE1 3.86Å; K390-Y435 HydrophobicContact CG-CD1 4.47Å; K390-Y435 HydrophobicContact CG-CE1 4.36Å; K390-Y435 VanDerWaalsContact NZ-CZ 3.3Å; K390-Y435 PolarHBondContact NZ-OH 2.9Å; K390-F438 HydrophobicContact CB-CE2 4.39Å; K390-F438 HydrophobicContact CB-CZ 4.11Å; K390-F438 HydrophobicContact CG-CE2 4.48Å; K390-F438 HydrophobicContact CG-CZ 4.38Å
391	D	98.1	Very high	97	Very high	23 Å²	23	48.8 Å²	48.8	12%	0.123	27%	0.268	C	S	.	.			trans	-119.1	-178.3	171.5	-157.3	-94.1	0	0	0	111.2	A369 T393 L397 Q432 L433	A369-D391 HydrophobicContact CB-CB 3.86Å; A369-D391 WeakPolarHBondContact CB-OD2 3.39Å; A369-D391 PolarHBondContact N-OD2 2.85Å; D391-T393 PolarHBondContact OD1-N 3.14Å; D391-T393 PolarHBondContact OD1-OG1 3.33Å; D391-L397 HydrophobicContact CB-CB 3.97Å; D391-Q432 PolarHBondContact N-O 3.45Å; D391-L433 HydrophobicContact CB-CD2 4.35Å
392	A	95.1	Very high	97	Very high	87 Å²	87	54.2 Å²	54.2	72%	0.719	29%	0.294	S	S	*	.	S	Bend	trans	-95	-18.6	169.3	0	0	0	0	0	112.3
393	T	96.9	Very high	97.2	Very high	74 Å²	74	55.2 Å²	55.2	45%	0.454	30%	0.298	S	S	.	.	S	Bend	trans	-136.6	145.7	-176.6	62.5	0	0	0	0	111.7	D391 T395 G396 L397 L433	D391-T393 PolarHBondContact OD1-N 3.14Å; D391-T393 PolarHBondContact OD1-OG1 3.33Å; T393-T395 VanDerWaalsContact C-N 3.32Å; T393-T395 PolarHBondContact O-N 3.34Å; T393-G396 PolarHBondContact O-N 2.76Å; T393-G396 VanDerWaalsContact O-N 3.15Å; T393-G396 PolarHBondContact OG1-N 3.19Å; T393-G396 VanDerWaalsContact OG1-N 3.07Å; T393-L397 PolarHBondContact O-N 3.1Å; T393-L433 VanDerWaalsContact C-CD2 3.46Å
394	L	97.6	Very high	97.3	Very high	102 Å²	102	51.5 Å²	51.5	53%	0.534	28%	0.281	S	S	.	.	H	α-helix	trans	-59.2	-43.8	176.1	-175.3	58.1	0	0	0	111.3	G396 L397 D398 L433	L394-G396 VanDerWaalsContact C-N 3.29Å; L394-G396 PolarHBondContact O-N 3.34Å; L394-L397 HydrophobicContact CD1-CD2 4.37Å; L394-L397 WeakPolarHBondContact O-CA 3.22Å; L394-L397 WeakPolarHBondContact O-CB 3.39Å; L394-L397 PolarHBondContact O-N 3.2Å; L394-L397 VanDerWaalsContact O-N 3.09Å; L394-D398 WeakPolarHBondContact O-CB 3.32Å; L394-D398 PolarHBondContact O-N 3.48Å; L394-L433 HydrophobicContact CB-CD1 4.36Å
395	T	96.5	Very high	97.4	Very high	115 Å²	115	51.8 Å²	51.8	71%	0.706	27%	0.268	S	S	*	.	H	α-helix	trans	-61.5	-33.9	176.5	-42.8	0	0	0	0	113.3	T393 R399	T393-T395 VanDerWaalsContact C-N 3.32Å; T393-T395 PolarHBondContact O-N 3.34Å; T395-R399 WeakPolarHBondContact O-CB 3.36Å; T395-R399 PolarHBondContact O-N 3.23Å
396	G	94.5	Very high	97.4	Very high	4 Å²	4	58.1 Å²	58.1	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-46.7	172	0	0	0	0	0	111.7	A369 T393 L394 G400	A369-G396 VanDerWaalsContact CB-O 3.29Å; A369-G396 WeakPolarHBondContact CB-O 3.49Å; T393-G396 PolarHBondContact O-N 2.76Å; T393-G396 VanDerWaalsContact O-N 3.15Å; T393-G396 PolarHBondContact OG1-N 3.19Å; T393-G396 VanDerWaalsContact OG1-N 3.07Å; L394-G396 VanDerWaalsContact C-N 3.29Å; L394-G396 PolarHBondContact O-N 3.34Å; G396-G400 PolarHBondContact O-N 3.12Å
397	L	97.8	Very high	97.4	Very high	6 Å²	6	53 Å²	53	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-51.9	178.1	-177	64.1	0	0	0	112.7	A369 L389 D391 T393 L394 R399 G400 Q401 L433	A369-L397 HydrophobicContact CB-CD1 4.39Å; L389-L397 HydrophobicContact CD2-CD1 4.45Å; L389-L397 HydrophobicContact CG-CD1 4.22Å; L389-L397 VanDerWaalsContact O-CD1 3.26Å; L389-L397 WeakPolarHBondContact O-CD1 3.2Å; D391-L397 HydrophobicContact CB-CB 3.97Å; T393-L397 PolarHBondContact O-N 3.1Å; L394-L397 HydrophobicContact CD1-CD2 4.37Å; L394-L397 WeakPolarHBondContact O-CA 3.22Å; L394-L397 WeakPolarHBondContact O-CB 3.39Å; L394-L397 PolarHBondContact O-N 3.2Å; L394-L397 VanDerWaalsContact O-N 3.09Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 3.2Å; L397-G400 PolarHBondContact O-N 3.17Å; L397-Q401 HydrophobicContact CD1-CG 4.37Å; L397-Q401 HydrophobicContact CG-CG 4.48Å; L397-Q401 PolarHBondContact O-N 3.37Å; L397-L433 HydrophobicContact CB-CD2 4.22Å; L397-L433 HydrophobicContact CD2-CD2 4.05Å; L397-L433 HydrophobicContact CD2-CG 4.48Å
398	D	97.6	Very high	97.3	Very high	79 Å²	79	52.9 Å²	52.9	42%	0.422	28%	0.277	S	S	.	.	H	α-helix	trans	-54	-45.8	179.6	-69.3	-30.1	0	0	0	111.3	L394 G400 Q401 Q402	L394-D398 WeakPolarHBondContact O-CB 3.32Å; L394-D398 PolarHBondContact O-N 3.48Å; D398-G400 VanDerWaalsContact C-N 3.32Å; D398-G400 PolarHBondContact O-N 3.46Å; D398-Q401 PolarHBondContact O-N 3Å; D398-Q402 WeakPolarHBondContact O-CB 3.38Å; D398-Q402 PolarHBondContact O-N 3.28Å
399	R	95.6	Very high	97.3	Very high	156 Å²	156	53.4 Å²	53.4	59%	0.589	28%	0.28	S	S	*	.	H	α-helix	trans	-60.2	-42.2	177.9	179.5	-176.9	62	-174.2	-5.9	111.5	T395 L397 Q403	T395-R399 WeakPolarHBondContact O-CB 3.36Å; T395-R399 PolarHBondContact O-N 3.23Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 3.2Å; R399-Q403 PolarHBondContact O-N 2.9Å
400	G	96.4	Very high	97.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.3	-46.1	177.6	0	0	0	0	0	112.8	A369 G396 L397 D398 Q402 Q403 V404	A369-G400 VanDerWaalsContact O-CA 3.31Å; A369-G400 WeakPolarHBondContact O-CA 3.3Å; G396-G400 PolarHBondContact O-N 3.12Å; L397-G400 PolarHBondContact O-N 3.17Å; D398-G400 VanDerWaalsContact C-N 3.32Å; D398-G400 PolarHBondContact O-N 3.46Å; G400-Q402 VanDerWaalsContact C-N 3.33Å; G400-Q402 PolarHBondContact O-N 3.11Å; G400-Q403 WeakPolarHBondContact O-CB 3.36Å; G400-Q403 PolarHBondContact O-N 3.19Å; G400-V404 WeakPolarHBondContact O-CG2 3.46Å; G400-V404 PolarHBondContact O-N 3.28Å
401	Q	98.3	Very high	96.9	Very high	43 Å²	43	56.6 Å²	56.6	20%	0.201	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-43	175	-70.3	-177.4	-64.7	0	0	111.5	L389 L397 D398 Q403 V404 F405 F426 L429	L389-Q401 HydrophobicContact CD2-CG 4.4Å; L397-Q401 HydrophobicContact CD1-CG 4.37Å; L397-Q401 HydrophobicContact CG-CG 4.48Å; L397-Q401 PolarHBondContact O-N 3.37Å; D398-Q401 PolarHBondContact O-N 3Å; Q401-Q403 VanDerWaalsContact C-N 3.35Å; Q401-Q403 PolarHBondContact O-N 3.49Å; Q401-V404 PolarHBondContact O-N 3.2Å; Q401-F405 WeakPolarHBondContact O-CB 3.26Å; Q401-F405 PolarHBondContact O-N 3.02Å; Q401-F426 HydrophobicContact CB-CZ 4.32Å; Q401-L429 HydrophobicContact CB-CD2 4.48Å; Q401-L429 HydrophobicContact CG-CD2 4.07Å
402	Q	97.9	Very high	96.9	Very high	115 Å²	115	57.1 Å²	57.1	54%	0.537	30%	0.3	S	S	.	.	H	α-helix	trans	-66.8	-32.8	176.9	179.2	63.7	-36.7	0	0	112.6	D398 G400 K406	D398-Q402 WeakPolarHBondContact O-CB 3.38Å; D398-Q402 PolarHBondContact O-N 3.28Å; G400-Q402 VanDerWaalsContact C-N 3.33Å; G400-Q402 PolarHBondContact O-N 3.11Å; Q402-K406 WeakPolarHBondContact O-CB 3.17Å; Q402-K406 PolarHBondContact O-N 3.24Å
403	Q	96.6	Very high	96.9	Very high	48 Å²	48	59.6 Å²	59.6	22%	0.224	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-47.2	170.5	177.2	178.7	-43	0	0	111.1	L371 A374 R399 G400 Q401 K406 G407	L371-Q403 PolarHBondContact O-NE2 2.88Å; A374-Q403 HydrophobicContact CB-CB 4.1Å; A374-Q403 HydrophobicContact CB-CG 4.2Å; R399-Q403 PolarHBondContact O-N 2.9Å; G400-Q403 WeakPolarHBondContact O-CB 3.36Å; G400-Q403 PolarHBondContact O-N 3.19Å; Q401-Q403 VanDerWaalsContact C-N 3.35Å; Q401-Q403 PolarHBondContact O-N 3.49Å; Q403-K406 PolarHBondContact O-N 3.29Å; Q403-G407 PolarHBondContact O-N 2.89Å
404	V	98.2	Very high	96.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-50.9	176.2	178.4	0	0	0	0	110.5	A374 A377 Q378 V381 G400 Q401 K406 G407 L408 F426 L429	A374-V404 VanDerWaalsContact O-CG2 3.27Å; A374-V404 WeakPolarHBondContact O-CG2 3.4Å; A377-V404 HydrophobicContact CB-CG2 3.98Å; Q378-V404 HydrophobicContact CB-CB 4.44Å; Q378-V404 HydrophobicContact CB-CG1 4.17Å; Q378-V404 HydrophobicContact CB-CG2 4.13Å; Q378-V404 HydrophobicContact CG-CG1 4.28Å; V381-V404 HydrophobicContact CG2-CG1 4.06Å; G400-V404 WeakPolarHBondContact O-CG2 3.46Å; G400-V404 PolarHBondContact O-N 3.28Å; Q401-V404 PolarHBondContact O-N 3.2Å; V404-K406 PolarHBondContact O-N 3.5Å; V404-G407 PolarHBondContact O-N 3.5Å; V404-L408 HydrophobicContact CG1-CD1 3.97Å; V404-L408 HydrophobicContact CG1-CG 4.46Å; V404-L408 WeakPolarHBondContact O-CG 3.46Å; V404-L408 PolarHBondContact O-N 3.23Å; V404-F426 HydrophobicContact CG1-CD2 4.29Å; V404-F426 HydrophobicContact CG1-CE2 4.48Å; V404-L429 HydrophobicContact CB-CD2 4.01Å; V404-L429 HydrophobicContact CG1-CD2 4.05Å; V404-L429 HydrophobicContact CG2-CD2 3.99Å
405	F	98.4	Very high	96.3	Very high	56 Å²	56	68 Å²	68	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-47.7	-179.8	-177.8	-98.9	0	0	0	112	Q401 G407 L408 N409 R422 F426	Q401-F405 WeakPolarHBondContact O-CB 3.26Å; Q401-F405 PolarHBondContact O-N 3.02Å; F405-G407 VanDerWaalsContact C-N 3.33Å; F405-G407 PolarHBondContact O-N 3.45Å; F405-L408 PolarHBondContact O-N 2.8Å; F405-N409 HydrophobicContact CE1-CB 4.48Å; F405-N409 VanDerWaalsContact O-CB 3.26Å; F405-N409 WeakPolarHBondContact O-CB 3.35Å; F405-N409 PolarHBondContact O-N 3.15Å; F405-R422 HydrophobicContact CE2-CG 4.41Å; F405-F426 HydrophobicContact CB-CD2 4.16Å; F405-F426 HydrophobicContact CB-CE2 3.8Å; F405-F426 HydrophobicContact CB-CZ 4.23Å; F405-F426 HydrophobicContact CD2-CD1 4.34Å; F405-F426 HydrophobicContact CD2-CD2 4.26Å; F405-F426 HydrophobicContact CD2-CE2 4.45Å; F405-F426 HydrophobicContact CD2-CG 4.2Å
406	K	97.6	Very high	96	Very high	133 Å²	133	65 Å²	65	58%	0.578	31%	0.307	S	S	*	.	H	α-helix	trans	-58.3	-44	175.8	-177.3	176.7	-179.6	177	0	111.6	Q402 Q403 V404 L408 N409 D410	Q402-K406 WeakPolarHBondContact O-CB 3.17Å; Q402-K406 PolarHBondContact O-N 3.24Å; Q403-K406 PolarHBondContact O-N 3.29Å; V404-K406 PolarHBondContact O-N 3.5Å; K406-L408 PolarHBondContact O-N 3.24Å; K406-N409 PolarHBondContact O-N 3.04Å; K406-D410 WeakPolarHBondContact O-CB 3.41Å; K406-D410 PolarHBondContact O-N 3.28Å
407	G	96.7	Very high	95.9	Very high	14 Å²	14	65.4 Å²	65.4	14%	0.144	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-36.7	178.4	0	0	0	0	0	113.9	Q403 V404 F405 K411	Q403-G407 PolarHBondContact O-N 2.89Å; V404-G407 PolarHBondContact O-N 3.5Å; F405-G407 VanDerWaalsContact C-N 3.33Å; F405-G407 PolarHBondContact O-N 3.45Å; G407-K411 PolarHBondContact O-N 3.38Å
408	L	97.3	Very high	95.8	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-72.2	-43.7	171.9	-63.8	169.9	0	0	0	111.5	D382 V404 F405 K406 D410 K411 V412 L417 R422 I425 F426	D382-L408 HydrophobicContact CB-CD2 4.32Å; V404-L408 HydrophobicContact CG1-CD1 3.97Å; V404-L408 HydrophobicContact CG1-CG 4.46Å; V404-L408 WeakPolarHBondContact O-CG 3.46Å; V404-L408 PolarHBondContact O-N 3.23Å; F405-L408 PolarHBondContact O-N 2.8Å; K406-L408 PolarHBondContact O-N 3.24Å; L408-D410 VanDerWaalsContact C-N 3.3Å; L408-D410 PolarHBondContact O-N 2.85Å; L408-K411 WeakPolarHBondContact O-CA 3.44Å; L408-K411 VanDerWaalsContact O-CB 3.3Å; L408-K411 WeakPolarHBondContact O-CB 3.34Å; L408-K411 PolarHBondContact O-N 3.17Å; L408-V412 PolarHBondContact O-N 3.38Å; L408-L417 HydrophobicContact CD2-CD1 4.19Å; L408-R422 HydrophobicContact CB-CG 3.87Å; L408-I425 HydrophobicContact CD1-CB 4.4Å; L408-I425 HydrophobicContact CD1-CG2 3.72Å; L408-I425 HydrophobicContact CD2-CG2 3.76Å; L408-I425 HydrophobicContact CG-CG2 4.41Å; L408-F426 HydrophobicContact CD1-CB 4.3Å; L408-F426 HydrophobicContact CD1-CD2 4.39Å
409	N	97.9	Very high	95.8	Very high	38 Å²	38	68 Å²	68	20%	0.203	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-34.9	178.9	-163.8	35.5	0	0	0	112.4	F405 K406 K411 V412 K413 R422	F405-N409 HydrophobicContact CE1-CB 4.48Å; F405-N409 VanDerWaalsContact O-CB 3.26Å; F405-N409 WeakPolarHBondContact O-CB 3.35Å; F405-N409 PolarHBondContact O-N 3.15Å; K406-N409 PolarHBondContact O-N 3.04Å; N409-K411 VanDerWaalsContact C-N 3.3Å; N409-K411 PolarHBondContact O-N 2.85Å; N409-V412 WeakPolarHBondContact O-CB 3.35Å; N409-V412 PolarHBondContact O-N 3.06Å; N409-V412 VanDerWaalsContact O-N 3.11Å; N409-K413 PolarHBondContact O-N 3.42Å; N409-R422 PolarHBondContact OD1-NH1 3.03Å
410	D	96.5	Very high	95.9	Very high	47 Å²	47	68.1 Å²	68.1	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-70.1	-23.3	172.9	-79.5	-4.3	0	0	0	113.1	K406 L408 K413 K414	K406-D410 WeakPolarHBondContact O-CB 3.41Å; K406-D410 PolarHBondContact O-N 3.28Å; L408-D410 VanDerWaalsContact C-N 3.3Å; L408-D410 PolarHBondContact O-N 2.85Å; D410-K413 WeakPolarHBondContact OD1-CD 3.49Å; D410-K413 WeakPolarHBondContact OD1-CE 3.39Å; D410-K413 IonicContact OD1-NZ 2.82Å; D410-K413 PolarHBondContact OD1-NZ 2.78Å; D410-K414 WeakPolarHBondContact O-CB 3.27Å; D410-K414 VanDerWaalsContact O-CD 3.24Å; D410-K414 WeakPolarHBondContact O-CD 3.31Å; D410-K414 WeakPolarHBondContact O-CG 3.49Å; D410-K414 PolarHBondContact O-N 2.96Å
411	K	94.4	Very high	95.9	Very high	49 Å²	49	71.4 Å²	71.4	21%	0.213	35%	0.351	C	S	.	.	H	α-helix	trans	-70.6	-35.6	166.5	-67.3	172.7	-178.4	173.5	0	111.4	D382 G407 L408 N409 K414 K415 A416 L417	D382-K411 IonicContact OD1-NZ 2.61Å; D382-K411 PolarHBondContact OD1-NZ 2.89Å; D382-K411 IonicContact OD2-NZ 2.77Å; D382-K411 PolarHBondContact OD2-NZ 2.63Å; G407-K411 PolarHBondContact O-N 3.38Å; L408-K411 WeakPolarHBondContact O-CA 3.44Å; L408-K411 VanDerWaalsContact O-CB 3.3Å; L408-K411 WeakPolarHBondContact O-CB 3.34Å; L408-K411 PolarHBondContact O-N 3.17Å; N409-K411 VanDerWaalsContact C-N 3.3Å; N409-K411 PolarHBondContact O-N 2.85Å; K411-K414 CarbonylContact O-C 3.6Å; K411-K414 PolarHBondContact O-N 3.47Å; K411-K415 PolarHBondContact O-N 3.3Å; K411-K415 VanDerWaalsContact O-N 3.16Å; K411-A416 HydrophobicContact CB-CB 4.28Å; K411-A416 PolarHBondContact O-N 3.42Å; K411-L417 HydrophobicContact CB-CB 4.4Å; K411-L417 HydrophobicContact CB-CD1 3.93Å; K411-L417 HydrophobicContact CB-CG 4.01Å; K411-L417 HydrophobicContact CD-CD1 3.98Å; K411-L417 HydrophobicContact CD-CG 4.43Å
412	V	96.1	Very high	95.8	Very high	33 Å²	33	71.5 Å²	71.5	20%	0.2	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-48.5	173.6	-174.5	0	0	0	0	111	L408 N409 K414 K415 L417 T418 R422	L408-V412 PolarHBondContact O-N 3.38Å; N409-V412 WeakPolarHBondContact O-CB 3.35Å; N409-V412 PolarHBondContact O-N 3.06Å; N409-V412 VanDerWaalsContact O-N 3.11Å; V412-K414 PolarHBondContact O-N 3.36Å; V412-K415 WeakPolarHBondContact O-CA 3.22Å; V412-K415 PolarHBondContact O-N 2.86Å; V412-L417 WeakPolarHBondContact CA-O 3.47Å; V412-L417 HydrophobicContact CG2-CB 4.01Å; V412-T418 WeakPolarHBondContact CG2-O 3.34Å; V412-R422 HydrophobicContact CG2-CB 3.65Å; V412-R422 HydrophobicContact CG2-CG 4.25Å
413	K	95.7	Very high	95.8	Very high	139 Å²	139	69.3 Å²	69.3	60%	0.604	34%	0.341	S	S	*	.	H	α-helix	trans	-56.4	-36.6	174.4	-63.8	173	-163	162.6	0	112.5	N409 D410 K415	N409-K413 PolarHBondContact O-N 3.42Å; D410-K413 WeakPolarHBondContact OD1-CD 3.49Å; D410-K413 WeakPolarHBondContact OD1-CE 3.39Å; D410-K413 IonicContact OD1-NZ 2.82Å; D410-K413 PolarHBondContact OD1-NZ 2.78Å; K413-K415 PolarHBondContact O-N 2.85Å
414	K	92.3	Very high	95.9	Very high	157 Å²	157	69.7 Å²	69.7	68%	0.683	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	3.1	175.9	-67.9	164.8	-168.6	163.2	0	114	D410 K411 V412 A416	D410-K414 WeakPolarHBondContact O-CB 3.27Å; D410-K414 VanDerWaalsContact O-CD 3.24Å; D410-K414 WeakPolarHBondContact O-CD 3.31Å; D410-K414 WeakPolarHBondContact O-CG 3.49Å; D410-K414 PolarHBondContact O-N 2.96Å; K411-K414 CarbonylContact O-C 3.6Å; K411-K414 PolarHBondContact O-N 3.47Å; V412-K414 PolarHBondContact O-N 3.36Å; K414-A416 PolarHBondContact O-N 3.36Å
415	K	90.3	Very high	95.9	Very high	197 Å²	197	71 Å²	71	86%	0.857	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	34.2	-177.7	-53.3	-174.2	-179.4	-174.5	0	113.5	K411 V412 K413	K411-K415 PolarHBondContact O-N 3.3Å; K411-K415 VanDerWaalsContact O-N 3.16Å; V412-K415 WeakPolarHBondContact O-CA 3.22Å; V412-K415 PolarHBondContact O-N 2.86Å; K413-K415 PolarHBondContact O-N 2.85Å
416	A	89.4	Confident	95.9	Very high	52 Å²	52	71 Å²	71	43%	0.43	36%	0.356	S	S	.	.	S	Bend	trans	-102.9	-9.2	176.1	0	0	0	0	0	113.5	K411 K414	K411-A416 HydrophobicContact CB-CB 4.28Å; K411-A416 PolarHBondContact O-N 3.42Å; K414-A416 PolarHBondContact O-N 3.36Å
417	L	92.8	Very high	95.9	Very high	11 Å²	11	68.9 Å²	68.9	6%	0.058	36%	0.358	C	S	.	.	S	Bend	trans	-144.1	158.4	168.5	-67.7	178.3	0	0	0	108.5	L408 K411 V412 E421 I425	L408-L417 HydrophobicContact CD2-CD1 4.19Å; K411-L417 HydrophobicContact CB-CB 4.4Å; K411-L417 HydrophobicContact CB-CD1 3.93Å; K411-L417 HydrophobicContact CB-CG 4.01Å; K411-L417 HydrophobicContact CD-CD1 3.98Å; K411-L417 HydrophobicContact CD-CG 4.43Å; V412-L417 WeakPolarHBondContact CA-O 3.47Å; V412-L417 HydrophobicContact CG2-CB 4.01Å; L417-E421 HydrophobicContact CB-CB 4.32Å; L417-E421 HydrophobicContact CD2-CB 4.13Å; L417-I425 HydrophobicContact CD1-CD1 4Å; L417-I425 HydrophobicContact CD2-CD1 4Å
418	T	95.3	Very high	96	Very high	71 Å²	71	70.1 Å²	70.1	44%	0.436	36%	0.361	S	S	.	.			trans	-83.6	166.9	161.9	57.9	0	0	0	0	111.3	V412 E421 R422	V412-T418 WeakPolarHBondContact CG2-O 3.34Å; T418-E421 WeakPolarHBondContact CB-OE2 3.41Å; T418-E421 WeakPolarHBondContact CG2-OE2 3.25Å; T418-E421 PolarHBondContact N-OE2 3.31Å; T418-E421 PolarHBondContact O-N 2.86Å; T418-E421 WeakPolarHBondContact OG1-CB 3.22Å; T418-E421 VanDerWaalsContact OG1-CG 3.27Å; T418-E421 WeakPolarHBondContact OG1-CG 3.35Å; T418-E421 PolarHBondContact OG1-N 3.44Å; T418-E421 VanDerWaalsContact OG1-N 3.09Å; T418-E421 PolarHBondContact OG1-OE2 3.45Å; T418-R422 PolarHBondContact O-N 3.25Å
419	S	97.3	Very high	96.1	Very high	69 Å²	69	70.7 Å²	70.7	48%	0.483	36%	0.364	S	S	.	.	H	α-helix	trans	-59.7	-45.1	170.7	42.6	0	0	0	0	111.8	E421 R422 D423	S419-E421 PolarHBondContact O-N 3.03Å; S419-R422 WeakPolarHBondContact O-CB 3.48Å; S419-R422 PolarHBondContact O-N 3.41Å; S419-R422 VanDerWaalsContact O-N 3.16Å; S419-D423 PolarHBondContact O-N 3.49Å
420	F	97.8	Very high	96.1	Very high	158 Å²	158	72.6 Å²	72.6	69%	0.693	38%	0.377	S	S	*	.	H	α-helix	trans	-62.6	-42.8	177.8	-175.9	-97.6	0	0	0	112.5	R422 D423 S424	F420-R422 VanDerWaalsContact C-N 3.34Å; F420-R422 PolarHBondContact O-N 2.78Å; F420-D423 PolarHBondContact O-N 3.37Å; F420-S424 WeakPolarHBondContact O-CB 3.26Å; F420-S424 PolarHBondContact O-N 3.43Å
421	E	96.4	Very high	96.2	Very high	70 Å²	70	71.6 Å²	71.6	33%	0.327	38%	0.378	S	S	.	.	H	α-helix	trans	-61.1	-40.5	172.4	-77.2	166	106.3	0	0	112.2	R165 L417 T418 S419 D423 I425	R165-E421 IonicContact NH1-OE1 2.7Å; L417-E421 HydrophobicContact CB-CB 4.32Å; L417-E421 HydrophobicContact CD2-CB 4.13Å; T418-E421 WeakPolarHBondContact CB-OE2 3.41Å; T418-E421 WeakPolarHBondContact CG2-OE2 3.25Å; T418-E421 PolarHBondContact N-OE2 3.31Å; T418-E421 PolarHBondContact O-N 2.86Å; T418-E421 WeakPolarHBondContact OG1-CB 3.22Å; T418-E421 VanDerWaalsContact OG1-CG 3.27Å; T418-E421 WeakPolarHBondContact OG1-CG 3.35Å; T418-E421 PolarHBondContact OG1-N 3.44Å; T418-E421 VanDerWaalsContact OG1-N 3.09Å; T418-E421 PolarHBondContact OG1-OE2 3.45Å; S419-E421 PolarHBondContact O-N 3.03Å; E421-D423 PolarHBondContact O-N 2.99Å; E421-I425 WeakPolarHBondContact O-CB 3.22Å; E421-I425 WeakPolarHBondContact O-CD1 3.1Å; E421-I425 WeakPolarHBondContact O-CG1 3.35Å; E421-I425 PolarHBondContact O-N 3.14Å
422	R	97.8	Very high	96.3	Very high	44 Å²	44	70.4 Å²	70.4	17%	0.166	37%	0.373	C	S	.	.	H	α-helix	trans	-57.6	-49.2	175.8	172	-158.7	68.9	-161.7	-2.4	110.9	F405 L408 N409 V412 T418 S419 F420 I425 F426	F405-R422 HydrophobicContact CE2-CG 4.41Å; L408-R422 HydrophobicContact CB-CG 3.87Å; N409-R422 PolarHBondContact OD1-NH1 3.03Å; V412-R422 HydrophobicContact CG2-CB 3.65Å; V412-R422 HydrophobicContact CG2-CG 4.25Å; T418-R422 PolarHBondContact O-N 3.25Å; S419-R422 WeakPolarHBondContact O-CB 3.48Å; S419-R422 PolarHBondContact O-N 3.41Å; S419-R422 VanDerWaalsContact O-N 3.16Å; F420-R422 VanDerWaalsContact C-N 3.34Å; F420-R422 PolarHBondContact O-N 2.78Å; R422-I425 PolarHBondContact O-N 2.89Å; R422-F426 WeakPolarHBondContact O-CB 3.46Å; R422-F426 PolarHBondContact O-N 2.85Å
423	D	97.9	Very high	96.4	Very high	70 Å²	70	72.4 Å²	72.4	37%	0.374	38%	0.382	S	S	.	.	H	α-helix	trans	-73.6	-38.5	-173.9	-59.3	-29.1	0	0	0	111.5	S419 F420 E421 F426 S427	S419-D423 PolarHBondContact O-N 3.49Å; F420-D423 PolarHBondContact O-N 3.37Å; E421-D423 PolarHBondContact O-N 2.99Å; D423-F426 PolarHBondContact O-N 2.97Å; D423-S427 PolarHBondContact O-N 2.88Å
424	S	98.1	Very high	96.5	Very high	55 Å²	55	69.7 Å²	69.7	39%	0.385	37%	0.374	S	S	.	.	H	α-helix	trans	-68.4	-31.9	173	-175	0	0	0	0	113.4	F420 S427 N428	F420-S424 WeakPolarHBondContact O-CB 3.26Å; F420-S424 PolarHBondContact O-N 3.43Å; S424-S427 PolarHBondContact O-OG 2.92Å; S424-N428 PolarHBondContact O-ND2 3.04Å
425	I	98.1	Very high	96.8	Very high	29 Å²	29	64.4 Å²	64.4	15%	0.149	35%	0.351	C	S	.	.	H	α-helix	trans	-71.1	-42.3	169.8	-73.6	165.7	0	0	0	110.2	V381 L408 L417 E421 R422 S427 N428	V381-I425 HydrophobicContact CB-CG2 4.07Å; V381-I425 HydrophobicContact CG2-CG2 3.79Å; L408-I425 HydrophobicContact CD1-CB 4.4Å; L408-I425 HydrophobicContact CD1-CG2 3.72Å; L408-I425 HydrophobicContact CD2-CG2 3.76Å; L408-I425 HydrophobicContact CG-CG2 4.41Å; L417-I425 HydrophobicContact CD1-CD1 4Å; L417-I425 HydrophobicContact CD2-CD1 4Å; E421-I425 WeakPolarHBondContact O-CB 3.22Å; E421-I425 WeakPolarHBondContact O-CD1 3.1Å; E421-I425 WeakPolarHBondContact O-CG1 3.35Å; E421-I425 PolarHBondContact O-N 3.14Å; R422-I425 PolarHBondContact O-N 2.89Å; I425-S427 VanDerWaalsContact C-N 3.32Å; I425-S427 PolarHBondContact O-N 2.98Å; I425-N428 WeakPolarHBondContact O-CB 3.03Å; I425-N428 PolarHBondContact O-N 3.16Å
426	F	98.4	Very high	97.1	Very high	56 Å²	56	62 Å²	62	25%	0.246	34%	0.342	C	S	.	.	H	α-helix	trans	-65.1	-32.3	-178.5	-169.8	-110.1	0	0	0	112.7	Q401 V404 F405 L408 R422 D423 N428 L429	Q401-F426 HydrophobicContact CB-CZ 4.32Å; V404-F426 HydrophobicContact CG1-CD2 4.29Å; V404-F426 HydrophobicContact CG1-CE2 4.48Å; F405-F426 HydrophobicContact CB-CD2 4.16Å; F405-F426 HydrophobicContact CB-CE2 3.8Å; F405-F426 HydrophobicContact CB-CZ 4.23Å; F405-F426 HydrophobicContact CD2-CD1 4.34Å; F405-F426 HydrophobicContact CD2-CD2 4.26Å; F405-F426 HydrophobicContact CD2-CE2 4.45Å; F405-F426 HydrophobicContact CD2-CG 4.2Å; L408-F426 HydrophobicContact CD1-CB 4.3Å; L408-F426 HydrophobicContact CD1-CD2 4.39Å; R422-F426 WeakPolarHBondContact O-CB 3.46Å; R422-F426 PolarHBondContact O-N 2.85Å; D423-F426 PolarHBondContact O-N 2.97Å; F426-N428 PolarHBondContact O-N 3.06Å; F426-N428 VanDerWaalsContact O-N 3.16Å; F426-L429 HydrophobicContact CD2-CD2 4.34Å; F426-L429 HydrophobicContact CE2-CD2 3.83Å; F426-L429 VanDerWaalsContact O-CB 3.3Å; F426-L429 WeakPolarHBondContact O-CB 3.39Å; F426-L429 PolarHBondContact O-N 3.28Å
427	S	98.1	Very high	97.4	Very high	88 Å²	88	60.6 Å²	60.6	62%	0.615	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-4.7	172.8	63.1	0	0	0	0	115	D423 S424 I425 L429	D423-S427 PolarHBondContact O-N 2.88Å; S424-S427 PolarHBondContact O-OG 2.92Å; I425-S427 VanDerWaalsContact C-N 3.32Å; I425-S427 PolarHBondContact O-N 2.98Å; S427-L429 VanDerWaalsContact C-N 3.32Å
428	N	98.1	Very high	97.7	Very high	39 Å²	39	60 Å²	60	21%	0.209	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.3	165.7	-66.5	-83.4	0	0	0	113.1	V381 T387 S424 I425 F426	V381-N428 HydrophobicContact CB-CB 4.41Å; V381-N428 HydrophobicContact CG1-CB 4.34Å; T387-N428 PolarHBondContact N-O 3.39Å; S424-N428 PolarHBondContact O-ND2 3.04Å; I425-N428 WeakPolarHBondContact O-CB 3.03Å; I425-N428 PolarHBondContact O-N 3.16Å; F426-N428 PolarHBondContact O-N 3.06Å; F426-N428 VanDerWaalsContact O-N 3.16Å
429	L	98.6	Very high	97.8	Very high	12 Å²	12	61 Å²	61	6%	0.063	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	108	172.4	-171.9	72.9	0	0	0	110.2	A377 V381 T387 L389 Q401 V404 F426 S427	A377-L429 HydrophobicContact CB-CD1 3.86Å; V381-L429 HydrophobicContact CG1-CB 4.14Å; V381-L429 HydrophobicContact CG1-CD1 4.2Å; T387-L429 HydrophobicContact CG2-CD1 4.43Å; T387-L429 WeakPolarHBondContact O-CA 3.48Å; L389-L429 HydrophobicContact CB-CD1 3.95Å; L389-L429 HydrophobicContact CD2-CD1 4.48Å; Q401-L429 HydrophobicContact CB-CD2 4.48Å; Q401-L429 HydrophobicContact CG-CD2 4.07Å; V404-L429 HydrophobicContact CB-CD2 4.01Å; V404-L429 HydrophobicContact CG1-CD2 4.05Å; V404-L429 HydrophobicContact CG2-CD2 3.99Å; F426-L429 HydrophobicContact CD2-CD2 4.34Å; F426-L429 HydrophobicContact CE2-CD2 3.83Å; F426-L429 VanDerWaalsContact O-CB 3.3Å; F426-L429 WeakPolarHBondContact O-CB 3.39Å; F426-L429 PolarHBondContact O-N 3.28Å; S427-L429 VanDerWaalsContact C-N 3.32Å
430	T	98.5	Very high	97.8	Very high	78 Å²	78	63.9 Å²	63.9	48%	0.479	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.6	171.7	-55.3	0	0	0	0	108.9	T387 I388 L389	T387-T430 PolarHBondContact O-N 3.42Å; I388-T430 CarbonylContact C-O 3.5Å; I388-T430 WeakPolarHBondContact CA-O 3.25Å; L389-T430 PolarHBondContact N-O 3.04Å
431	G	98.3	Very high	97.8	Very high	26 Å²	26	56.5 Å²	56.5	27%	0.268	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	135.2	175.1	0	0	0	0	0	111.7	L389	L389-G431 WeakPolarHBondContact O-CA 3.3Å
432	Q	98.1	Very high	97.9	Very high	24 Å²	24	53.7 Å²	53.7	11%	0.112	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	174.9	179.3	65.1	-165.3	99	0	0	113.3	I388 L389 K390 D391 D434 Q436	I388-Q432 HydrophobicContact CG2-CG 3.99Å; L389-Q432 PolarHBondContact O-N 2.91Å; K390-Q432 WeakPolarHBondContact CA-O 3.32Å; D391-Q432 PolarHBondContact N-O 3.45Å; Q432-D434 PolarHBondContact NE2-OD1 2.83Å; Q432-Q436 PolarHBondContact NE2-O 3.34Å; Q432-Q436 PolarHBondContact OE1-O 3.05Å
433	L	98.1	Very high	98	Very high	76 Å²	76	51.6 Å²	51.6	40%	0.398	28%	0.281	S	S	.	.	S	Bend	trans	-117.5	-15	-179.6	-57.6	179.6	0	0	0	113.7	K390 D391 T393 L394 L397	K390-L433 WeakPolarHBondContact CE-O 3.35Å; D391-L433 HydrophobicContact CB-CD2 4.35Å; T393-L433 VanDerWaalsContact C-CD2 3.46Å; L394-L433 HydrophobicContact CB-CD1 4.36Å; L397-L433 HydrophobicContact CB-CD2 4.22Å; L397-L433 HydrophobicContact CD2-CD2 4.05Å; L397-L433 HydrophobicContact CD2-CG 4.48Å
434	D	97.6	Very high	98	Very high	81 Å²	81	48.2 Å²	48.2	43%	0.433	26%	0.263	S	S	.	.	S	Bend	trans	-104.7	-164.6	178.3	72.4	-9.9	0	0	0	111.3	K390 Q432 Q436	K390-D434 WeakPolarHBondContact CG-O 3.5Å; Q432-D434 PolarHBondContact NE2-OD1 2.83Å; D434-Q436 PolarHBondContact OD1-N 3.48Å; D434-Q436 WeakPolarHBondContact OD2-CB 3.43Å
435	Y	97.6	Very high	98.1	Very high	47 Å²	47	45.6 Å²	45.6	18%	0.184	24%	0.244	C	C	.	.			trans	-109.7	22.2	177.6	-60.1	-62.8	0	0	0	113.7	L367 K390 G437 F438 E461 V462 V465	L367-Y435 HydrophobicContact CD2-CE1 3.91Å; K390-Y435 HydrophobicContact CD-CD1 4.43Å; K390-Y435 HydrophobicContact CD-CE1 3.86Å; K390-Y435 HydrophobicContact CG-CD1 4.47Å; K390-Y435 HydrophobicContact CG-CE1 4.36Å; K390-Y435 VanDerWaalsContact NZ-CZ 3.3Å; K390-Y435 PolarHBondContact NZ-OH 2.9Å; Y435-G437 PolarHBondContact O-N 3.46Å; Y435-F438 HydrophobicContact CD1-CD1 4.23Å; Y435-F438 HydrophobicContact CD1-CD2 4.18Å; Y435-F438 AromaticContact CD1-CE1 3.99Å; Y435-F438 HydrophobicContact CD1-CE1 3.99Å; Y435-F438 AromaticContact CD1-CE2 3.92Å; Y435-F438 HydrophobicContact CD1-CE2 3.92Å; Y435-F438 HydrophobicContact CD1-CG 4.32Å; Y435-F438 AromaticContact CD1-CZ 3.82Å; Y435-F438 HydrophobicContact CD1-CZ 3.82Å; Y435-F438 HydrophobicContact CE1-CZ 4.39Å; Y435-F438 WeakPolarHBondContact O-CB 3.36Å; Y435-F438 WeakPolarHBondContact O-CD2 3.29Å; Y435-F438 PolarHBondContact O-N 3.16Å; Y435-E461 HydrophobicContact CE2-CB 4.01Å; Y435-E461 WeakPolarHBondContact CE2-OE2 3.34Å; Y435-E461 PolarHBondContact OH-OE2 3.25Å; Y435-V462 HydrophobicContact CD1-CG2 4.37Å; Y435-V462 HydrophobicContact CE1-CG2 3.79Å; Y435-V465 HydrophobicContact CG-CG2 4.42Å
436	Q	96.3	Very high	98.1	Very high	146 Å²	146	44.2 Å²	44.2	68%	0.682	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	134.2	176.3	-174.3	-179.3	59.8	0	0	111.2	Q432 D434 F438	Q432-Q436 PolarHBondContact NE2-O 3.34Å; Q432-Q436 PolarHBondContact OE1-O 3.05Å; D434-Q436 PolarHBondContact OD1-N 3.48Å; D434-Q436 WeakPolarHBondContact OD2-CB 3.43Å; Q436-F438 VanDerWaalsContact C-N 3.3Å; Q436-F438 PolarHBondContact O-N 3.05Å
437	G	96.4	Very high	98	Very high	22 Å²	22	42.1 Å²	42.1	23%	0.227	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-10.2	-179	0	0	0	0	0	114.6	Y435 E439 K440	Y435-G437 PolarHBondContact O-N 3.46Å; G437-E439 WeakPolarHBondContact CA-OE2 3.4Å; G437-E439 PolarHBondContact N-OE2 3.48Å; G437-E439 PolarHBondContact O-N 3.49Å; G437-K440 PolarHBondContact O-N 3.09Å
438	F	98.3	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-66	-21.8	174.3	-80.5	-114	0	0	0	112.3	A365 L367 I388 K390 Y435 Q436 K440 A441 V444 V462 V465 I466 P467	A365-F438 HydrophobicContact CB-CD1 4.14Å; A365-F438 HydrophobicContact CB-CE1 3.58Å; A365-F438 HydrophobicContact CB-CE2 4.24Å; A365-F438 HydrophobicContact CB-CZ 3.65Å; L367-F438 HydrophobicContact CD2-CE1 3.88Å; L367-F438 HydrophobicContact CD2-CZ 3.83Å; I388-F438 HydrophobicContact CD1-CD2 4.38Å; I388-F438 HydrophobicContact CG2-CE2 3.75Å; I388-F438 HydrophobicContact CG2-CZ 4.27Å; K390-F438 HydrophobicContact CB-CE2 4.39Å; K390-F438 HydrophobicContact CB-CZ 4.11Å; K390-F438 HydrophobicContact CG-CE2 4.48Å; K390-F438 HydrophobicContact CG-CZ 4.38Å; Y435-F438 HydrophobicContact CD1-CD1 4.23Å; Y435-F438 HydrophobicContact CD1-CD2 4.18Å; Y435-F438 AromaticContact CD1-CE1 3.99Å; Y435-F438 HydrophobicContact CD1-CE1 3.99Å; Y435-F438 AromaticContact CD1-CE2 3.92Å; Y435-F438 HydrophobicContact CD1-CE2 3.92Å; Y435-F438 HydrophobicContact CD1-CG 4.32Å; Y435-F438 AromaticContact CD1-CZ 3.82Å; Y435-F438 HydrophobicContact CD1-CZ 3.82Å; Y435-F438 HydrophobicContact CE1-CZ 4.39Å; Y435-F438 WeakPolarHBondContact O-CB 3.36Å; Y435-F438 WeakPolarHBondContact O-CD2 3.29Å; Y435-F438 PolarHBondContact O-N 3.16Å; Q436-F438 VanDerWaalsContact C-N 3.3Å; Q436-F438 PolarHBondContact O-N 3.05Å; F438-K440 PolarHBondContact O-N 2.75Å; F438-A441 WeakPolarHBondContact O-CB 3.46Å; F438-A441 PolarHBondContact O-N 2.52Å; F438-V444 HydrophobicContact CD1-CG2 4.27Å; F438-V444 HydrophobicContact CE1-CG1 4.1Å; F438-V444 HydrophobicContact CE1-CG2 4.31Å; F438-V462 HydrophobicContact CD1-CG1 4.39Å; F438-V465 HydrophobicContact CB-CG2 3.99Å; F438-I466 HydrophobicContact CB-CG2 4.13Å; F438-I466 HydrophobicContact CD1-CG2 3.96Å; F438-P467 WeakPolarHBondContact O-CD 3.3Å
439	E	97.7	Very high	97.4	Very high	92 Å²	92	46.2 Å²	46.2	43%	0.43	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-65.1	-6.3	173.8	80.4	-62.4	152.5	0	0	113.5	G437 P467	G437-E439 WeakPolarHBondContact CA-OE2 3.4Å; G437-E439 PolarHBondContact N-OE2 3.48Å; G437-E439 PolarHBondContact O-N 3.49Å; E439-P467 WeakPolarHBondContact O-CG 3.41Å
440	K	97.7	Very high	97	Very high	128 Å²	128	49.6 Å²	49.6	56%	0.557	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-116.7	6.1	174.1	-60.5	-178.9	-174.7	81.5	0	113.5	H363 G437 F438	H363-K440 VanDerWaalsContact CB-O 3.31Å; H363-K440 WeakPolarHBondContact CB-O 3.4Å; G437-K440 PolarHBondContact O-N 3.09Å; F438-K440 PolarHBondContact O-N 2.75Å
441	A	98.5	Very high	96.6	Very high	3 Å²	3	49.3 Å²	49.3	3%	0.025	25%	0.25	C	C	.	.			trans	-65.1	139	-178.9	0	0	0	0	0	112.1	F438 V444 I466 H469 C470	F438-A441 WeakPolarHBondContact O-CB 3.46Å; F438-A441 PolarHBondContact O-N 2.52Å; A441-V444 HydrophobicContact CB-CG2 4.21Å; A441-I466 HydrophobicContact CB-CG2 4.27Å; A441-H469 PolarHBondContact O-NE2 2.85Å; A441-C470 WeakPolarHBondContact O-CB 3.2Å; A441-C470 PolarHBondContact O-SG 3.05Å
442	D	98.8	Very high	96.4	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.059	25%	0.248	C	C	.	.	S	Bend	trans	-96.5	-30.4	167.9	-57.8	-53.9	0	0	0	111.1	K359 V361 K362 H363 H469 C470 I471	K359-D442 WeakPolarHBondContact CE-OD1 3.1Å; K359-D442 IonicContact NZ-OD1 2.94Å; K359-D442 PolarHBondContact NZ-OD1 2.83Å; V361-D442 HydrophobicContact CB-CB 4.18Å; V361-D442 HydrophobicContact CG1-CB 4.11Å; V361-D442 HydrophobicContact CG2-CB 4.02Å; K362-D442 WeakPolarHBondContact CA-OD2 3.3Å; K362-D442 PolarHBondContact N-OD2 2.84Å; H363-D442 PolarHBondContact N-OD2 3.05Å; H363-D442 PolarHBondContact O-N 2.98Å; D442-H469 IonicContact OD1-NE2 3.85Å; D442-C470 VanDerWaalsContact C-SG 3.51Å; D442-C470 WeakPolarHBondContact O-CA 3.42Å; D442-I471 PolarHBondContact O-N 3.12Å; D442-I471 VanDerWaalsContact O-N 3.15Å
443	M	98.9	Very high	96.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	145.3	176.5	-177.8	177	-75.1	0	0	110.5	V361 H363 L364 A365 I471 M497 A525 V528	V361-M443 HydrophobicContact CG1-CB 4.03Å; V361-M443 HydrophobicContact CG2-CB 3.84Å; V361-M443 HydrophobicContact CG2-CE 4.03Å; H363-M443 PolarHBondContact O-N 3.05Å; L364-M443 WeakPolarHBondContact CA-O 3.25Å; L364-M443 HydrophobicContact CD1-CB 4.01Å; L364-M443 HydrophobicContact CD1-CG 4.02Å; L364-M443 HydrophobicContact CD1-SD 4.31Å; A365-M443 PolarHBondContact N-O 3.46Å; M443-I471 CarbonylContact C-O 3.5Å; M443-I471 WeakPolarHBondContact CA-O 3.4Å; M443-I471 HydrophobicContact CB-CB 4.42Å; M443-I471 HydrophobicContact CE-CB 4.13Å; M443-I471 HydrophobicContact CE-CD1 3.89Å; M443-I471 HydrophobicContact CE-CG2 3.95Å; M443-I471 HydrophobicContact CG-CB 4.2Å; M443-I471 HydrophobicContact CG-CG2 4.27Å; M443-M497 HydrophobicContact SD-SD 4.02Å; M443-A525 HydrophobicContact CE-CB 4.33Å; M443-V528 HydrophobicContact CE-CB 4.42Å; M443-V528 HydrophobicContact CE-CG2 3.91Å; M443-V528 HydrophobicContact SD-CB 4.14Å; M443-V528 HydrophobicContact SD-CG1 4.14Å; M443-V528 HydrophobicContact SD-CG2 3.85Å
444	V	98.9	Very high	96.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.1	169.7	-170.6	0	0	0	0	109.1	A365 L367 F438 A441 V462 I466 I471 A473	A365-V444 HydrophobicContact CB-CG1 4.18Å; A365-V444 HydrophobicContact CB-CG2 4.21Å; A365-V444 CarbonylContact O-C 3.53Å; A365-V444 VanDerWaalsContact O-CA 3.32Å; A365-V444 WeakPolarHBondContact O-CA 3.35Å; L367-V444 HydrophobicContact CD1-CG1 3.49Å; L367-V444 VanDerWaalsContact CD1-CG1 3.49Å; L367-V444 HydrophobicContact CD2-CG1 4.45Å; L367-V444 HydrophobicContact CG-CG1 3.79Å; F438-V444 HydrophobicContact CD1-CG2 4.27Å; F438-V444 HydrophobicContact CE1-CG1 4.1Å; F438-V444 HydrophobicContact CE1-CG2 4.31Å; A441-V444 HydrophobicContact CB-CG2 4.21Å; V444-V462 HydrophobicContact CB-CG1 4.41Å; V444-V462 HydrophobicContact CG1-CG1 4.22Å; V444-V462 HydrophobicContact CG2-CG1 4.05Å; V444-I466 HydrophobicContact CG2-CD1 4.44Å; V444-I466 HydrophobicContact CG2-CG2 3.85Å; V444-I471 PolarHBondContact N-O 3.48Å; V444-A473 PolarHBondContact O-N 3.37Å
445	I	98.9	Very high	96.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.2	172.7	-58.9	169.8	0	0	0	109.2	L364 A365 I366 L367 I376 A473 N475 Y499	L364-I445 HydrophobicContact CD1-CD1 3.88Å; L364-I445 HydrophobicContact CD1-CG1 4.05Å; L364-I445 HydrophobicContact CD2-CD1 4.4Å; A365-I445 PolarHBondContact O-N 2.94Å; I366-I445 WeakPolarHBondContact CA-O 3.38Å; I366-I445 HydrophobicContact CG1-CB 4.49Å; L367-I445 PolarHBondContact N-O 3.36Å; I376-I445 HydrophobicContact CD1-CG2 4.13Å; I376-I445 HydrophobicContact CG2-CD1 3.79Å; I376-I445 HydrophobicContact CG2-CG2 4.49Å; I445-A473 CarbonylContact C-O 3.25Å; I445-A473 WeakPolarHBondContact CA-O 3.19Å; I445-A473 HydrophobicContact CG1-CB 4.17Å; I445-N475 HydrophobicContact CG2-CB 4.47Å; I445-Y499 HydrophobicContact CD1-CE2 4.24Å; I445-Y499 HydrophobicContact CG2-CE2 4.29Å
446	E	98.6	Very high	96.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.7	174.7	177.8	-84.4	114.6	0	0	110.5	L367 V448 K455 V458 F472 A473 S474 N475	L367-E446 HydrophobicContact CD1-CB 4.08Å; E446-V448 HydrophobicContact CG-CG2 4.1Å; E446-V448 VanDerWaalsContact OE1-CG2 3.27Å; E446-V448 WeakPolarHBondContact OE1-CG2 3.17Å; E446-V448 PolarHBondContact OE1-N 2.96Å; E446-K455 IonicContact OE1-NZ 3.34Å; E446-K455 PolarHBondContact OE1-NZ 3.49Å; E446-K455 WeakPolarHBondContact OE2-CD 3.37Å; E446-K455 IonicContact OE2-NZ 3.56Å; E446-K455 PolarHBondContact OE2-NZ 3.2Å; E446-V458 HydrophobicContact CG-CG1 4.29Å; E446-F472 HydrophobicContact CB-CE1 3.85Å; E446-F472 HydrophobicContact CB-CE2 4.28Å; E446-F472 HydrophobicContact CB-CZ 3.5Å; E446-F472 VanDerWaalsContact CB-CZ 3.5Å; E446-F472 HydrophobicContact CG-CE1 4.45Å; E446-F472 HydrophobicContact CG-CZ 3.94Å; E446-A473 PolarHBondContact N-O 2.96Å; E446-S474 WeakPolarHBondContact OE2-CB 3.44Å; E446-S474 PolarHBondContact OE2-OG 2.58Å; E446-N475 WeakPolarHBondContact O-CA 3.12Å; E446-N475 VanDerWaalsContact O-CB 3.26Å; E446-N475 WeakPolarHBondContact O-CB 3.37Å; E446-N475 PolarHBondContact O-N 2.75Å
447	A	96.9	Very high	96.4	Very high	12 Å²	12	47.7 Å²	47.7	10%	0.099	24%	0.237	C	C	.	.			trans	-140.7	45.2	178	0	0	0	0	0	111.1	L367 I376 N475	L367-A447 CarbonylContact O-C 3.59Å; L367-A447 VanDerWaalsContact O-C 3.25Å; L367-A447 WeakPolarHBondContact O-CA 3.39Å; L367-A447 PolarHBondContact O-N 3.49Å; I376-A447 HydrophobicContact CD1-CB 4.31Å; A447-N475 HydrophobicContact CB-CB 4.32Å
448	V	94.8	Very high	96.5	Very high	39 Å²	39	47.2 Å²	47.2	24%	0.236	23%	0.229	C	C	.	.	S	Bend	trans	-87.7	-173.1	172.4	-56.1	0	0	0	0	110.6	L367 E446 L454 K455 V458	L367-V448 HydrophobicContact CB-CG1 4.49Å; E446-V448 HydrophobicContact CG-CG2 4.1Å; E446-V448 VanDerWaalsContact OE1-CG2 3.27Å; E446-V448 WeakPolarHBondContact OE1-CG2 3.17Å; E446-V448 PolarHBondContact OE1-N 2.96Å; V448-L454 HydrophobicContact CB-CD2 4.11Å; V448-L454 HydrophobicContact CG2-CD2 3.83Å; V448-L454 HydrophobicContact CG2-CG 4.01Å; V448-K455 HydrophobicContact CG2-CG 4.21Å; V448-V458 HydrophobicContact CG2-CG2 4.48Å
449	F	89.1	Confident	96.5	Very high	173 Å²	173	47.2 Å²	47.2	76%	0.759	23%	0.229	S	C	*	.			trans	-62.8	155.9	-179.5	-65.5	-75.6	0	0	0	113	D451 L454 K455	F449-D451 PolarHBondContact O-N 3.32Å; F449-L454 HydrophobicContact CB-CD2 4.12Å; F449-L454 HydrophobicContact CD2-CD2 4.38Å; F449-K455 WeakPolarHBondContact O-CE 3.33Å
450	E	88.8	Confident	96.5	Very high	83 Å²	83	48.4 Å²	48.4	39%	0.388	23%	0.233	S	C	.	.	S	Bend	trans	-78.2	61.2	179.9	-160.7	81.6	135	0	0	111.4	K455 T476 S477 A478 L479	E450-K455 WeakPolarHBondContact OE2-CE 3.32Å; E450-K455 IonicContact OE2-NZ 2.63Å; E450-T476 PolarHBondContact OE1-OG1 2.7Å; E450-T476 WeakPolarHBondContact OE2-CA 3.49Å; E450-T476 VanDerWaalsContact OE2-CB 3.3Å; E450-T476 WeakPolarHBondContact OE2-CB 3.38Å; E450-T476 PolarHBondContact OE2-OG1 3.33Å; E450-S477 PolarHBondContact OE1-N 3.12Å; E450-A478 PolarHBondContact OE1-N 2.82Å; E450-L479 HydrophobicContact CG-CD1 4.09Å; E450-L479 HydrophobicContact CG-CG 4.2Å
451	D	91.1	Very high	96.5	Very high	72 Å²	72	46 Å²	46	39%	0.385	22%	0.224	S	C	.	.			trans	-124.5	124.8	170.5	163.2	-129.7	0	0	0	109.4	F449 S453 L454 K455	F449-D451 PolarHBondContact O-N 3.32Å; D451-S453 VanDerWaalsContact C-N 3.28Å; D451-S453 PolarHBondContact O-N 2.94Å; D451-S453 WeakPolarHBondContact OD1-CB 3.46Å; D451-S453 PolarHBondContact OD2-N 2.79Å; D451-L454 HydrophobicContact CB-CB 4.13Å; D451-L454 PolarHBondContact O-N 3.22Å; D451-L454 WeakPolarHBondContact OD1-CB 3.35Å; D451-L454 PolarHBondContact OD1-N 3.05Å; D451-K455 WeakPolarHBondContact O-CG 3.26Å; D451-K455 PolarHBondContact O-N 2.72Å
452	L	93.7	Very high	96.5	Very high	46 Å²	46	45.9 Å²	45.9	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-35	-180	-176.1	61.1	0	0	0	111.8	K455 H456 L479 E483 I484	L452-K455 PolarHBondContact O-N 3.16Å; L452-H456 VanDerWaalsContact O-CB 3.27Å; L452-H456 WeakPolarHBondContact O-CB 3.38Å; L452-H456 PolarHBondContact O-CD2 2.82Å; L452-H456 PolarHBondContact O-N 3.12Å; L452-L479 HydrophobicContact CB-CD1 4.29Å; L452-L479 HydrophobicContact CB-CD2 4.49Å; L452-E483 HydrophobicContact CD1-CB 4.3Å; L452-E483 HydrophobicContact CD2-CB 4.41Å; L452-I484 HydrophobicContact CD1-CB 4.5Å; L452-I484 HydrophobicContact CD1-CG1 3.78Å
453	S	96.9	Very high	96.5	Very high	78 Å²	78	45.9 Å²	45.9	55%	0.545	22%	0.222	S	C	.	.	H	α-helix	trans	-67.7	-41.3	-179.5	-58.2	0	0	0	0	112.1	D451 R457	D451-S453 VanDerWaalsContact C-N 3.28Å; D451-S453 PolarHBondContact O-N 2.94Å; D451-S453 WeakPolarHBondContact OD1-CB 3.46Å; D451-S453 PolarHBondContact OD2-N 2.79Å; S453-R457 PolarHBondContact O-N 3.28Å; S453-R457 VanDerWaalsContact O-N 3.11Å
454	L	96.1	Very high	96.4	Very high	48 Å²	48	49.2 Å²	49.2	25%	0.251	25%	0.25	S	C	.	.	H	α-helix	trans	-66.7	-48.7	173.1	-179.3	65.2	0	0	0	111.4	V448 F449 D451 H456 R457 V458	V448-L454 HydrophobicContact CB-CD2 4.11Å; V448-L454 HydrophobicContact CG2-CD2 3.83Å; V448-L454 HydrophobicContact CG2-CG 4.01Å; F449-L454 HydrophobicContact CB-CD2 4.12Å; F449-L454 HydrophobicContact CD2-CD2 4.38Å; D451-L454 HydrophobicContact CB-CB 4.13Å; D451-L454 PolarHBondContact O-N 3.22Å; D451-L454 WeakPolarHBondContact OD1-CB 3.35Å; D451-L454 PolarHBondContact OD1-N 3.05Å; L454-H456 VanDerWaalsContact C-N 3.32Å; L454-H456 PolarHBondContact O-N 2.89Å; L454-R457 WeakPolarHBondContact O-CB 3.39Å; L454-R457 PolarHBondContact O-N 2.88Å; L454-R457 VanDerWaalsContact O-N 3.1Å; L454-V458 HydrophobicContact CD1-CG2 4.27Å; L454-V458 HydrophobicContact CG-CG2 4.47Å; L454-V458 WeakPolarHBondContact O-CG2 3.28Å; L454-V458 PolarHBondContact O-N 3.41Å
455	K	97.2	Very high	96.4	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-41.3	178.7	-71	-179.2	-176.1	-74.6	0	111.6	E446 V448 F449 E450 D451 L452 V458 L459 L479 I484	E446-K455 IonicContact OE1-NZ 3.34Å; E446-K455 PolarHBondContact OE1-NZ 3.49Å; E446-K455 WeakPolarHBondContact OE2-CD 3.37Å; E446-K455 IonicContact OE2-NZ 3.56Å; E446-K455 PolarHBondContact OE2-NZ 3.2Å; V448-K455 HydrophobicContact CG2-CG 4.21Å; F449-K455 WeakPolarHBondContact O-CE 3.33Å; E450-K455 WeakPolarHBondContact OE2-CE 3.32Å; E450-K455 IonicContact OE2-NZ 2.63Å; D451-K455 WeakPolarHBondContact O-CG 3.26Å; D451-K455 PolarHBondContact O-N 2.72Å; L452-K455 PolarHBondContact O-N 3.16Å; K455-V458 PolarHBondContact O-N 3.45Å; K455-L459 VanDerWaalsContact O-CB 3.32Å; K455-L459 WeakPolarHBondContact O-CB 3.5Å; K455-L459 PolarHBondContact O-N 2.88Å; K455-L479 HydrophobicContact CD-CD1 3.94Å; K455-I484 HydrophobicContact CD-CD1 3.87Å; K455-I484 HydrophobicContact CD-CG1 4.36Å
456	H	98.6	Very high	96.4	Very high	40 Å²	40	52.5 Å²	52.5	19%	0.185	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-42.2	171.6	-79.9	-25.5	0	0	0	113.8	L452 L454 K460 E483 I484 V487	L452-H456 VanDerWaalsContact O-CB 3.27Å; L452-H456 WeakPolarHBondContact O-CB 3.38Å; L452-H456 PolarHBondContact O-CD2 2.82Å; L452-H456 PolarHBondContact O-N 3.12Å; L454-H456 VanDerWaalsContact C-N 3.32Å; L454-H456 PolarHBondContact O-N 2.89Å; H456-K460 WeakPolarHBondContact O-CG 3.4Å; H456-K460 PolarHBondContact O-N 3.41Å; H456-K460 VanDerWaalsContact O-N 3.1Å; H456-E483 PolarHBondContact CE1-O 3.16Å; H456-I484 PolarHBondContact ND1-O 2.7Å; H456-V487 HydrophobicContact CB-CG1 4.41Å; H456-V487 HydrophobicContact CB-CG2 4Å; H456-V487 VanDerWaalsContact ND1-CG2 3.32Å; H456-V487 WeakPolarHBondContact ND1-CG2 3.38Å
457	R	98.2	Very high	96.4	Very high	155 Å²	155	54.1 Å²	54.1	59%	0.585	28%	0.28	S	S	*	.	H	α-helix	trans	-64.1	-49.7	178.2	-168.6	-169.1	-54.8	-177.2	3.1	110.7	S453 L454 L459 K460 E461	S453-R457 PolarHBondContact O-N 3.28Å; S453-R457 VanDerWaalsContact O-N 3.11Å; L454-R457 WeakPolarHBondContact O-CB 3.39Å; L454-R457 PolarHBondContact O-N 2.88Å; L454-R457 VanDerWaalsContact O-N 3.1Å; R457-L459 VanDerWaalsContact C-N 3.34Å; R457-L459 PolarHBondContact O-N 3.16Å; R457-K460 PolarHBondContact O-N 3.34Å; R457-E461 WeakPolarHBondContact CG-OE1 3.25Å; R457-E461 WeakPolarHBondContact O-CG 3.12Å; R457-E461 PolarHBondContact O-N 2.78Å
458	V	98.1	Very high	96.4	Very high	11 Å²	11	59.6 Å²	59.6	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-42.6	178.4	170.8	0	0	0	0	111.3	L367 E446 V448 L454 K455 E461 V462	L367-V458 HydrophobicContact CD1-CG1 3.64Å; E446-V458 HydrophobicContact CG-CG1 4.29Å; V448-V458 HydrophobicContact CG2-CG2 4.48Å; L454-V458 HydrophobicContact CD1-CG2 4.27Å; L454-V458 HydrophobicContact CG-CG2 4.47Å; L454-V458 WeakPolarHBondContact O-CG2 3.28Å; L454-V458 PolarHBondContact O-N 3.41Å; K455-V458 PolarHBondContact O-N 3.45Å; V458-E461 PolarHBondContact O-N 3.4Å; V458-V462 HydrophobicContact CG1-CG2 4.38Å; V458-V462 WeakPolarHBondContact O-CB 3.3Å; V458-V462 WeakPolarHBondContact O-CG2 3.18Å; V458-V462 PolarHBondContact O-N 2.83Å
459	L	98.6	Very high	96.6	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.9	-47	175.1	-179.9	58.1	0	0	0	111.9	K455 R457 V462 E463 F472 I484 V487 V494	K455-L459 VanDerWaalsContact O-CB 3.32Å; K455-L459 WeakPolarHBondContact O-CB 3.5Å; K455-L459 PolarHBondContact O-N 2.88Å; R457-L459 VanDerWaalsContact C-N 3.34Å; R457-L459 PolarHBondContact O-N 3.16Å; L459-V462 PolarHBondContact O-N 2.84Å; L459-E463 HydrophobicContact CD1-CG 3.96Å; L459-E463 WeakPolarHBondContact CD1-OE1 3.1Å; L459-E463 WeakPolarHBondContact O-CB 3.44Å; L459-E463 PolarHBondContact O-N 3.45Å; L459-F472 HydrophobicContact CB-CE2 4.35Å; L459-F472 HydrophobicContact CB-CZ 4.11Å; L459-F472 HydrophobicContact CD1-CB 4.1Å; L459-F472 HydrophobicContact CD1-CD1 3.65Å; L459-F472 HydrophobicContact CD1-CD2 3.52Å; L459-F472 HydrophobicContact CD1-CE1 3.83Å; L459-F472 HydrophobicContact CD1-CE2 3.7Å; L459-F472 HydrophobicContact CD1-CG 3.47Å; L459-F472 VanDerWaalsContact CD1-CG 3.47Å; L459-F472 HydrophobicContact CD1-CZ 3.84Å; L459-I484 HydrophobicContact CD2-CG2 4.34Å; L459-I484 VanDerWaalsContact CD2-O 3.28Å; L459-I484 WeakPolarHBondContact CD2-O 3.36Å; L459-V487 HydrophobicContact CB-CG2 4.49Å; L459-V487 HydrophobicContact CD2-CG2 3.86Å; L459-V487 HydrophobicContact CG-CG2 4.37Å; L459-V494 HydrophobicContact CD1-CG2 4.49Å
460	K	98.5	Very high	97	Very high	118 Å²	118	52.9 Å²	52.9	51%	0.513	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-42.1	178.1	-72.8	175.1	-177.1	-178	0	113.2	H456 R457 A464 V487	H456-K460 WeakPolarHBondContact O-CG 3.4Å; H456-K460 PolarHBondContact O-N 3.41Å; H456-K460 VanDerWaalsContact O-N 3.1Å; R457-K460 PolarHBondContact O-N 3.34Å; K460-A464 PolarHBondContact O-N 3.31Å; K460-V487 VanDerWaalsContact CE-CB 3.46Å; K460-V487 HydrophobicContact CG-CB 4.41Å; K460-V487 HydrophobicContact CG-CG2 4.16Å
461	E	98	Very high	97.5	Very high	78 Å²	78	49 Å²	49	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-47	175.7	-73.9	173.4	-153.9	0	0	111.1	Y435 R457 V458 A464	Y435-E461 HydrophobicContact CE2-CB 4.01Å; Y435-E461 WeakPolarHBondContact CE2-OE2 3.34Å; Y435-E461 PolarHBondContact OH-OE2 3.25Å; R457-E461 WeakPolarHBondContact CG-OE1 3.25Å; R457-E461 WeakPolarHBondContact O-CG 3.12Å; R457-E461 PolarHBondContact O-N 2.78Å; V458-E461 PolarHBondContact O-N 3.4Å; E461-A464 WeakPolarHBondContact O-CB 3.47Å; E461-A464 PolarHBondContact O-N 2.88Å
462	V	98.2	Very high	97.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-73.5	-41.7	-174.9	171	0	0	0	0	111.7	L367 Y435 F438 V444 V458 L459 A464 V465 I466 F472	L367-V462 HydrophobicContact CD1-CG2 3.92Å; L367-V462 HydrophobicContact CD2-CG2 4.07Å; Y435-V462 HydrophobicContact CD1-CG2 4.37Å; Y435-V462 HydrophobicContact CE1-CG2 3.79Å; F438-V462 HydrophobicContact CD1-CG1 4.39Å; V444-V462 HydrophobicContact CB-CG1 4.41Å; V444-V462 HydrophobicContact CG1-CG1 4.22Å; V444-V462 HydrophobicContact CG2-CG1 4.05Å; V458-V462 HydrophobicContact CG1-CG2 4.38Å; V458-V462 WeakPolarHBondContact O-CB 3.3Å; V458-V462 WeakPolarHBondContact O-CG2 3.18Å; V458-V462 PolarHBondContact O-N 2.83Å; L459-V462 PolarHBondContact O-N 2.84Å; V462-A464 PolarHBondContact O-N 3.02Å; V462-A464 VanDerWaalsContact O-N 3.14Å; V462-V465 VanDerWaalsContact O-CG2 3.3Å; V462-V465 WeakPolarHBondContact O-CG2 3.18Å; V462-V465 PolarHBondContact O-N 3.39Å; V462-I466 HydrophobicContact CG1-CD1 4.04Å; V462-I466 HydrophobicContact CG1-CG1 4.46Å; V462-I466 HydrophobicContact CG1-CG2 3.74Å; V462-I466 WeakPolarHBondContact O-CG1 3.38Å; V462-I466 PolarHBondContact O-N 2.83Å; V462-F472 HydrophobicContact CB-CE2 4.32Å; V462-F472 HydrophobicContact CG1-CD2 4.07Å; V462-F472 HydrophobicContact CG1-CE2 4.24Å
463	E	98.1	Very high	98.1	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.051	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.4	174.3	-81.7	-170	-165.1	0	0	114.8	L459 S488 K489	L459-E463 HydrophobicContact CD1-CG 3.96Å; L459-E463 WeakPolarHBondContact CD1-OE1 3.1Å; L459-E463 WeakPolarHBondContact O-CB 3.44Å; L459-E463 PolarHBondContact O-N 3.45Å; E463-S488 WeakPolarHBondContact OE1-CA 3.49Å; E463-S488 VanDerWaalsContact OE1-CB 3.26Å; E463-S488 WeakPolarHBondContact OE1-CB 3.31Å; E463-S488 PolarHBondContact OE1-OG 3.37Å; E463-K489 PolarHBondContact O-NZ 3.35Å; E463-K489 WeakPolarHBondContact OE2-CB 3.43Å; E463-K489 WeakPolarHBondContact OE2-CG 3.38Å; E463-K489 PolarHBondContact OE2-N 3.47Å
464	A	97.9	Very high	98.2	Very high	69 Å²	69	39.8 Å²	39.8	57%	0.57	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.6	171.7	0	0	0	0	0	113.3	K460 E461 V462	K460-A464 PolarHBondContact O-N 3.31Å; E461-A464 WeakPolarHBondContact O-CB 3.47Å; E461-A464 PolarHBondContact O-N 2.88Å; V462-A464 PolarHBondContact O-N 3.02Å; V462-A464 VanDerWaalsContact O-N 3.14Å
465	V	98.1	Very high	98.3	Very high	59 Å²	59	38.1 Å²	38.1	36%	0.358	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-21.3	-173.9	-61.8	0	0	0	0	114.9	Y435 F438 V462	Y435-V465 HydrophobicContact CG-CG2 4.42Å; F438-V465 HydrophobicContact CB-CG2 3.99Å; V462-V465 VanDerWaalsContact O-CG2 3.3Å; V462-V465 WeakPolarHBondContact O-CG2 3.18Å; V462-V465 PolarHBondContact O-N 3.39Å
466	I	98.5	Very high	98.1	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.051	19%	0.194	C	C	.	.	S	Bend	trans	-82.8	143.9	176.2	67.4	178.6	0	0	0	112.5	F438 A441 V444 V462 C470 R490	F438-I466 HydrophobicContact CB-CG2 4.13Å; F438-I466 HydrophobicContact CD1-CG2 3.96Å; A441-I466 HydrophobicContact CB-CG2 4.27Å; V444-I466 HydrophobicContact CG2-CD1 4.44Å; V444-I466 HydrophobicContact CG2-CG2 3.85Å; V462-I466 HydrophobicContact CG1-CD1 4.04Å; V462-I466 HydrophobicContact CG1-CG1 4.46Å; V462-I466 HydrophobicContact CG1-CG2 3.74Å; V462-I466 WeakPolarHBondContact O-CG1 3.38Å; V462-I466 PolarHBondContact O-N 2.83Å; I466-C470 HydrophobicContact CB-CB 3.89Å; I466-C470 HydrophobicContact CD1-CB 3.91Å; I466-C470 HydrophobicContact CG1-CB 4.05Å; I466-R490 PolarHBondContact O-NH2 2.95Å; I466-R490 VanDerWaalsContact O-NH2 3.08Å
467	P	98.3	Very high	97.5	Very high	35 Å²	35	38.2 Å²	38.2	23%	0.227	20%	0.199	C	C	.	.			trans	-56.4	158.2	174.8	-27.2	36.1	0	0	0	114.4	F438 E439 H469 C470 R490	F438-P467 WeakPolarHBondContact O-CD 3.3Å; E439-P467 WeakPolarHBondContact O-CG 3.41Å; P467-H469 VanDerWaalsContact C-N 3.29Å; P467-H469 WeakPolarHBondContact CB-CE1 3.38Å; P467-H469 PolarHBondContact O-N 2.81Å; P467-C470 WeakPolarHBondContact O-CB 3.45Å; P467-C470 PolarHBondContact O-N 3.05Å; P467-R490 PolarHBondContact O-NH1 3.21Å
468	D	97.9	Very high	96.7	Very high	127 Å²	127	31.2 Å²	31.2	68%	0.679	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-36.5	-178.9	-64	-45.9	0	0	0	113.8	C470 R490	D468-C470 PolarHBondContact O-N 2.74Å; D468-R490 VanDerWaalsContact CA-NH1 3.27Å; D468-R490 PolarHBondContact O-NH1 2.59Å; D468-R490 IonicContact OD1-NE 3.75Å
469	H	98.1	Very high	96.4	Very high	69 Å²	69	31.8 Å²	31.8	32%	0.319	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.8	177.5	72	-101.5	0	0	0	113.6	K359 A441 D442 P467 K493	K359-H469 PolarHBondContact NZ-CD2 2.59Å; K359-H469 PolarHBondContact NZ-CE1 2.99Å; K359-H469 PolarHBondContact NZ-NE2 3.35Å; A441-H469 PolarHBondContact O-NE2 2.85Å; D442-H469 IonicContact OD1-NE2 3.85Å; P467-H469 VanDerWaalsContact C-N 3.29Å; P467-H469 WeakPolarHBondContact CB-CE1 3.38Å; P467-H469 PolarHBondContact O-N 2.81Å; H469-K493 PolarHBondContact O-NZ 3.48Å
470	C	98.8	Very high	96.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	18%	0.18	C	C	.	.			trans	-70.6	135.4	-167.1	-173.6	0	0	0	0	111.1	A441 D442 I466 P467 D468	A441-C470 WeakPolarHBondContact O-CB 3.2Å; A441-C470 PolarHBondContact O-SG 3.05Å; D442-C470 VanDerWaalsContact C-SG 3.51Å; D442-C470 WeakPolarHBondContact O-CA 3.42Å; I466-C470 HydrophobicContact CB-CB 3.89Å; I466-C470 HydrophobicContact CD1-CB 3.91Å; I466-C470 HydrophobicContact CG1-CB 4.05Å; P467-C470 WeakPolarHBondContact O-CB 3.45Å; P467-C470 PolarHBondContact O-N 3.05Å; D468-C470 PolarHBondContact O-N 2.74Å
471	I	98.9	Very high	96.2	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136	-178.8	-65.4	168.5	0	0	0	109.7	D442 M443 V444 K493 I495 T521	D442-I471 PolarHBondContact O-N 3.12Å; D442-I471 VanDerWaalsContact O-N 3.15Å; M443-I471 CarbonylContact C-O 3.5Å; M443-I471 WeakPolarHBondContact CA-O 3.4Å; M443-I471 HydrophobicContact CB-CB 4.42Å; M443-I471 HydrophobicContact CE-CB 4.13Å; M443-I471 HydrophobicContact CE-CD1 3.89Å; M443-I471 HydrophobicContact CE-CG2 3.95Å; M443-I471 HydrophobicContact CG-CB 4.2Å; M443-I471 HydrophobicContact CG-CG2 4.27Å; V444-I471 PolarHBondContact N-O 3.48Å; I471-K493 WeakPolarHBondContact CA-O 3.47Å; I471-K493 HydrophobicContact CG1-CD 4.02Å; I471-I495 HydrophobicContact CG2-CG2 3.92Å; I471-T521 HydrophobicContact CB-CG2 4.49Å; I471-T521 HydrophobicContact CD1-CG2 4.24Å; I471-T521 HydrophobicContact CG1-CG2 4.06Å; I471-T521 HydrophobicContact CG2-CG2 3.76Å
472	F	98.9	Very high	96.2	Very high	2 Å²	2	26 Å²	26	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.7	167.7	-172.8	-79.3	0	0	0	109.5	L367 E446 L459 V462 K493 V494 I495	L367-F472 HydrophobicContact CD1-CE2 4.14Å; E446-F472 HydrophobicContact CB-CE1 3.85Å; E446-F472 HydrophobicContact CB-CE2 4.28Å; E446-F472 HydrophobicContact CB-CZ 3.5Å; E446-F472 VanDerWaalsContact CB-CZ 3.5Å; E446-F472 HydrophobicContact CG-CE1 4.45Å; E446-F472 HydrophobicContact CG-CZ 3.94Å; L459-F472 HydrophobicContact CB-CE2 4.35Å; L459-F472 HydrophobicContact CB-CZ 4.11Å; L459-F472 HydrophobicContact CD1-CB 4.1Å; L459-F472 HydrophobicContact CD1-CD1 3.65Å; L459-F472 HydrophobicContact CD1-CD2 3.52Å; L459-F472 HydrophobicContact CD1-CE1 3.83Å; L459-F472 HydrophobicContact CD1-CE2 3.7Å; L459-F472 HydrophobicContact CD1-CG 3.47Å; L459-F472 VanDerWaalsContact CD1-CG 3.47Å; L459-F472 HydrophobicContact CD1-CZ 3.84Å; V462-F472 HydrophobicContact CB-CE2 4.32Å; V462-F472 HydrophobicContact CG1-CD2 4.07Å; V462-F472 HydrophobicContact CG1-CE2 4.24Å; F472-K493 PolarHBondContact N-O 3.48Å; F472-V494 HydrophobicContact CB-CG2 4.46Å; F472-V494 HydrophobicContact CD1-CG1 4.43Å; F472-V494 WeakPolarHBondContact O-CA 3.42Å; F472-I495 PolarHBondContact O-N 2.85Å
473	A	98.8	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.6	179.3	0	0	0	0	0	110.9	V444 I445 E446 I495 M497	V444-A473 PolarHBondContact O-N 3.37Å; I445-A473 CarbonylContact C-O 3.25Å; I445-A473 WeakPolarHBondContact CA-O 3.19Å; I445-A473 HydrophobicContact CG1-CB 4.17Å; E446-A473 PolarHBondContact N-O 2.96Å; A473-I495 CarbonylContact C-O 3.53Å; A473-I495 VanDerWaalsContact CA-O 3.25Å; A473-I495 WeakPolarHBondContact CA-O 3.34Å; A473-I495 HydrophobicContact CB-CG2 3.84Å; A473-M497 HydrophobicContact CB-CB 4.07Å; A473-M497 HydrophobicContact CB-CG 3.72Å; A473-M497 HydrophobicContact CB-SD 3.52Å; A473-M497 VanDerWaalsContact CB-SD 3.52Å
474	S	98.6	Very high	96.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.6	175.2	-175.1	0	0	0	0	111.4	E446 T476 I495 M497	E446-S474 WeakPolarHBondContact OE2-CB 3.44Å; E446-S474 PolarHBondContact OE2-OG 2.58Å; S474-T476 PolarHBondContact O-N 2.93Å; S474-I495 PolarHBondContact N-O 3.45Å; S474-M497 PolarHBondContact O-N 3.23Å
475	N	97.5	Very high	96.2	Very high	13 Å²	13	26.7 Å²	26.7	7%	0.07	15%	0.152	C	C	.	.			trans	-88.9	82.3	161	179.3	96.1	0	0	0	107.9	I376 I445 E446 A447 M497 Y499	I376-N475 HydrophobicContact CD1-CB 4.36Å; I445-N475 HydrophobicContact CG2-CB 4.47Å; E446-N475 WeakPolarHBondContact O-CA 3.12Å; E446-N475 VanDerWaalsContact O-CB 3.26Å; E446-N475 WeakPolarHBondContact O-CB 3.37Å; E446-N475 PolarHBondContact O-N 2.75Å; A447-N475 HydrophobicContact CB-CB 4.32Å; N475-M497 WeakPolarHBondContact CA-O 3.38Å; N475-M497 PolarHBondContact OD1-O 3.24Å; N475-Y499 HydrophobicContact CB-CD2 4.44Å; N475-Y499 VanDerWaalsContact OD1-CB 3.31Å; N475-Y499 WeakPolarHBondContact OD1-CB 3.42Å; N475-Y499 WeakPolarHBondContact OD1-CD2 3.24Å; N475-Y499 PolarHBondContact OD1-N 2.88Å
476	T	92.9	Very high	96.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	17%	0.166	C	C	.	.			trans	-114.1	161.3	169.1	180	0	0	0	0	108.7	E450 S474 L479 I481 I484 H498 F545	E450-T476 PolarHBondContact OE1-OG1 2.7Å; E450-T476 WeakPolarHBondContact OE2-CA 3.49Å; E450-T476 VanDerWaalsContact OE2-CB 3.3Å; E450-T476 WeakPolarHBondContact OE2-CB 3.38Å; E450-T476 PolarHBondContact OE2-OG1 3.33Å; S474-T476 PolarHBondContact O-N 2.93Å; T476-L479 WeakPolarHBondContact CG2-O 3.39Å; T476-L479 PolarHBondContact OG1-N 2.91Å; T476-I481 HydrophobicContact CG2-CD1 3.55Å; T476-I484 HydrophobicContact CG2-CD1 3.78Å; T476-H498 PolarHBondContact O-CD2 2.63Å; T476-F545 HydrophobicContact CG2-CE2 4.2Å; T476-F545 HydrophobicContact CG2-CZ 3.84Å
477	S	86.1	Confident	96.2	Very high	41 Å²	41	29 Å²	29	29%	0.287	17%	0.174	S	C	.	.	S	Bend	trans	-120.4	-22.4	-178.9	-65.8	0	0	0	0	113.1	E450 H498 T548	E450-S477 PolarHBondContact OE1-N 3.12Å; S477-H498 PolarHBondContact OG-CD2 3.34Å; S477-H498 VanDerWaalsContact OG-CD2 3.27Å; S477-H498 PolarHBondContact OG-NE2 2.95Å; S477-T548 VanDerWaalsContact O-CB 3.23Å; S477-T548 WeakPolarHBondContact O-CB 3.37Å; S477-T548 WeakPolarHBondContact O-CG2 3.39Å; S477-T548 PolarHBondContact O-OG1 3.25Å
478	A	82.1	Confident	96.2	Very high	7 Å²	7	28.2 Å²	28.2	6%	0.058	17%	0.17	C	C	.	.	S	Bend	trans	-124.3	-37.9	-178.7	0	0	0	0	0	114.4	E450 G544 V599	E450-A478 PolarHBondContact OE1-N 2.82Å; A478-G544 PolarHBondContact O-N 3.05Å; A478-V599 HydrophobicContact CB-CG2 4.41Å
479	L	91.6	Very high	96.2	Very high	24 Å²	24	29 Å²	29	13%	0.126	17%	0.167	C	C	.	.	S	Bend	trans	-74.5	127.9	-172.5	-62	170.3	0	0	0	111.1	E450 L452 K455 T476 I484 F545	E450-L479 HydrophobicContact CG-CD1 4.09Å; E450-L479 HydrophobicContact CG-CG 4.2Å; L452-L479 HydrophobicContact CB-CD1 4.29Å; L452-L479 HydrophobicContact CB-CD2 4.49Å; K455-L479 HydrophobicContact CD-CD1 3.94Å; T476-L479 WeakPolarHBondContact CG2-O 3.39Å; T476-L479 PolarHBondContact OG1-N 2.91Å; L479-I484 HydrophobicContact CB-CD1 4.1Å; L479-I484 HydrophobicContact CB-CG1 4.49Å; L479-F545 VanDerWaalsContact O-CZ 3.28Å; L479-F545 WeakPolarHBondContact O-CZ 3.37Å
480	P	95.8	Very high	96.2	Very high	11 Å²	11	26.9 Å²	26.9	7%	0.071	16%	0.156	C	C	.	.			trans	-57.2	140	175.7	-26.3	35.9	0	0	0	112.9	S482 E483 I484 P543	P480-S482 VanDerWaalsContact C-N 3.26Å; P480-S482 PolarHBondContact O-N 2.78Å; P480-E483 HydrophobicContact CB-CB 4.31Å; P480-E483 HydrophobicContact CB-CG 4.1Å; P480-E483 HydrophobicContact CG-CG 4.27Å; P480-E483 WeakPolarHBondContact CG-OE1 3.18Å; P480-E483 PolarHBondContact O-N 3.16Å; P480-I484 PolarHBondContact O-N 2.96Å; P480-I484 VanDerWaalsContact O-N 3.16Å; P480-P543 HydrophobicContact CG-CG 4.26Å
481	I	98.3	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-31.2	178	-54.6	-57	0	0	0	110.6	T476 I484 A485 V494 G496 I512 T514 D541 F545	T476-I481 HydrophobicContact CG2-CD1 3.55Å; I481-I484 HydrophobicContact CD1-CD1 4.44Å; I481-I484 PolarHBondContact O-N 2.68Å; I481-A485 WeakPolarHBondContact O-CB 3.38Å; I481-A485 PolarHBondContact O-N 3.05Å; I481-V494 HydrophobicContact CG2-CG1 4.15Å; I481-G496 VanDerWaalsContact CD1-CA 3.46Å; I481-I512 HydrophobicContact CG1-CB 3.86Å; I481-I512 HydrophobicContact CG1-CG2 3.71Å; I481-T514 HydrophobicContact CB-CG2 3.73Å; I481-T514 HydrophobicContact CG2-CG2 3.64Å; I481-D541 PolarHBondContact N-OD1 3.41Å; I481-D541 PolarHBondContact N-OD2 2.98Å; I481-F545 HydrophobicContact CD1-CE1 4.43Å; I481-F545 HydrophobicContact CD1-CZ 4.04Å; I481-F545 HydrophobicContact CG1-CE1 4.07Å; I481-F545 HydrophobicContact CG1-CZ 4.19Å
482	S	97.9	Very high	96.1	Very high	62 Å²	62	31.5 Å²	31.5	43%	0.434	18%	0.18	S	C	.	.	H	α-helix	trans	-63.5	-38.7	173.7	50.5	0	0	0	0	112.8	P480 A486 D541	P480-S482 VanDerWaalsContact C-N 3.26Å; P480-S482 PolarHBondContact O-N 2.78Å; S482-A486 PolarHBondContact O-N 3.41Å; S482-D541 WeakPolarHBondContact CB-OD2 3.29Å; S482-D541 PolarHBondContact N-OD2 3.45Å; S482-D541 PolarHBondContact OG-OD2 3.5Å
483	E	97.2	Very high	96.1	Very high	89 Å²	89	33 Å²	33	42%	0.416	19%	0.186	S	C	.	.	H	α-helix	trans	-63	-55.8	171	-73.1	178.6	-154.4	0	0	109.8	L452 H456 P480 A485 A486	L452-E483 HydrophobicContact CD1-CB 4.3Å; L452-E483 HydrophobicContact CD2-CB 4.41Å; H456-E483 PolarHBondContact CE1-O 3.16Å; P480-E483 HydrophobicContact CB-CB 4.31Å; P480-E483 HydrophobicContact CB-CG 4.1Å; P480-E483 HydrophobicContact CG-CG 4.27Å; P480-E483 WeakPolarHBondContact CG-OE1 3.18Å; P480-E483 PolarHBondContact O-N 3.16Å; E483-A485 VanDerWaalsContact C-N 3.27Å; E483-A485 PolarHBondContact O-N 3.31Å; E483-A486 WeakPolarHBondContact O-CB 3.15Å; E483-A486 PolarHBondContact O-N 3.46Å
484	I	97.8	Very high	96.1	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-54.6	-43.7	179.9	-65.9	166.5	0	0	0	111.6	L452 K455 H456 L459 T476 L479 P480 I481 A486	L452-I484 HydrophobicContact CD1-CB 4.5Å; L452-I484 HydrophobicContact CD1-CG1 3.78Å; K455-I484 HydrophobicContact CD-CD1 3.87Å; K455-I484 HydrophobicContact CD-CG1 4.36Å; H456-I484 PolarHBondContact ND1-O 2.7Å; L459-I484 HydrophobicContact CD2-CG2 4.34Å; L459-I484 VanDerWaalsContact CD2-O 3.28Å; L459-I484 WeakPolarHBondContact CD2-O 3.36Å; T476-I484 HydrophobicContact CG2-CD1 3.78Å; L479-I484 HydrophobicContact CB-CD1 4.1Å; L479-I484 HydrophobicContact CB-CG1 4.49Å; P480-I484 PolarHBondContact O-N 2.96Å; P480-I484 VanDerWaalsContact O-N 3.16Å; I481-I484 HydrophobicContact CD1-CD1 4.44Å; I481-I484 PolarHBondContact O-N 2.68Å; I484-A486 VanDerWaalsContact C-N 3.25Å; I484-A486 PolarHBondContact O-N 3.13Å
485	A	98.2	Very high	96.2	Very high	7 Å²	7	33 Å²	33	6%	0.058	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-71.8	-9.6	179.9	0	0	0	0	0	114.4	I481 E483 V487 S488 P491 V494	I481-A485 WeakPolarHBondContact O-CB 3.38Å; I481-A485 PolarHBondContact O-N 3.05Å; E483-A485 VanDerWaalsContact C-N 3.27Å; E483-A485 PolarHBondContact O-N 3.31Å; A485-V487 PolarHBondContact O-N 3.14Å; A485-V487 VanDerWaalsContact O-N 3.12Å; A485-S488 WeakPolarHBondContact O-CB 3.41Å; A485-S488 PolarHBondContact O-N 2.87Å; A485-P491 HydrophobicContact CB-CB 4.42Å; A485-V494 HydrophobicContact CB-CB 3.96Å; A485-V494 HydrophobicContact CB-CG1 3.76Å; A485-V494 HydrophobicContact CB-CG2 4.36Å
486	A	98.1	Very high	96.2	Very high	79 Å²	79	32.3 Å²	32.3	65%	0.653	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-61.8	-21.3	-178.1	0	0	0	0	0	113.8	S482 E483 I484	S482-A486 PolarHBondContact O-N 3.41Å; E483-A486 WeakPolarHBondContact O-CB 3.15Å; E483-A486 PolarHBondContact O-N 3.46Å; I484-A486 VanDerWaalsContact C-N 3.25Å; I484-A486 PolarHBondContact O-N 3.13Å
487	V	98.1	Very high	96.5	Very high	37 Å²	37	32.3 Å²	32.3	22%	0.224	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-100	4.3	175.3	-56.5	0	0	0	0	114.4	H456 L459 K460 A485	H456-V487 HydrophobicContact CB-CG1 4.41Å; H456-V487 HydrophobicContact CB-CG2 4Å; H456-V487 VanDerWaalsContact ND1-CG2 3.32Å; H456-V487 WeakPolarHBondContact ND1-CG2 3.38Å; L459-V487 HydrophobicContact CB-CG2 4.49Å; L459-V487 HydrophobicContact CD2-CG2 3.86Å; L459-V487 HydrophobicContact CG-CG2 4.37Å; K460-V487 VanDerWaalsContact CE-CB 3.46Å; K460-V487 HydrophobicContact CG-CB 4.41Å; K460-V487 HydrophobicContact CG-CG2 4.16Å; A485-V487 PolarHBondContact O-N 3.14Å; A485-V487 VanDerWaalsContact O-N 3.12Å
488	S	98.3	Very high	97.1	Very high	19 Å²	19	30.8 Å²	30.8	13%	0.133	17%	0.171	C	C	.	.			trans	-74.6	139.6	179.8	-176.9	0	0	0	0	111.8	E463 A485 R490 P491 V494	E463-S488 WeakPolarHBondContact OE1-CA 3.49Å; E463-S488 VanDerWaalsContact OE1-CB 3.26Å; E463-S488 WeakPolarHBondContact OE1-CB 3.31Å; E463-S488 PolarHBondContact OE1-OG 3.37Å; A485-S488 WeakPolarHBondContact O-CB 3.41Å; A485-S488 PolarHBondContact O-N 2.87Å; S488-R490 VanDerWaalsContact C-N 3.29Å; S488-R490 PolarHBondContact OG-N 3.37Å; S488-R490 PolarHBondContact OG-O 3.25Å; S488-P491 VanDerWaalsContact OG-N 3.11Å; S488-V494 WeakPolarHBondContact OG-CG2 3.45Å
489	K	97.8	Very high	97.8	Very high	144 Å²	144	30.6 Å²	30.6	63%	0.626	17%	0.169	S	C	*	.	S	Bend	trans	-74.8	-22	165.6	-57.3	171.7	-172	167.4	0	112	E463	E463-K489 PolarHBondContact O-NZ 3.35Å; E463-K489 WeakPolarHBondContact OE2-CB 3.43Å; E463-K489 WeakPolarHBondContact OE2-CG 3.38Å; E463-K489 PolarHBondContact OE2-N 3.47Å
490	R	98.2	Very high	97.9	Very high	24 Å²	24	30.3 Å²	30.3	9%	0.091	17%	0.167	C	C	.	.			trans	-137.8	58.9	-171.4	-69.6	174.7	-78.3	150.4	-20.5	110.5	I466 P467 D468 S488 E492 K493	I466-R490 PolarHBondContact O-NH2 2.95Å; I466-R490 VanDerWaalsContact O-NH2 3.08Å; P467-R490 PolarHBondContact O-NH1 3.21Å; D468-R490 VanDerWaalsContact CA-NH1 3.27Å; D468-R490 PolarHBondContact O-NH1 2.59Å; D468-R490 IonicContact OD1-NE 3.75Å; S488-R490 VanDerWaalsContact C-N 3.29Å; S488-R490 PolarHBondContact OG-N 3.37Å; S488-R490 PolarHBondContact OG-O 3.25Å; R490-E492 VanDerWaalsContact CA-OE2 3.32Å; R490-E492 WeakPolarHBondContact CA-OE2 3.1Å; R490-E492 WeakPolarHBondContact CB-OE1 3.46Å; R490-E492 PolarHBondContact O-N 2.81Å; R490-K493 HydrophobicContact CB-CB 4.31Å; R490-K493 WeakPolarHBondContact O-CA 3.14Å; R490-K493 WeakPolarHBondContact O-CB 3.23Å; R490-K493 PolarHBondContact O-N 3.48Å
491	P	98.4	Very high	97.5	Very high	25 Å²	25	32.9 Å²	32.9	16%	0.162	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60	-21.4	-174.6	25.7	-35.5	0	0	0	113.1	A485 S488 K493 V494 K516	A485-P491 HydrophobicContact CB-CB 4.42Å; S488-P491 VanDerWaalsContact OG-N 3.11Å; P491-K493 PolarHBondContact O-N 2.98Å; P491-V494 PolarHBondContact O-N 2.98Å; P491-V494 VanDerWaalsContact O-N 3.09Å; P491-K516 HydrophobicContact CB-CB 4.21Å; P491-K516 HydrophobicContact CB-CD 3.89Å; P491-K516 HydrophobicContact CG-CD 3.83Å
492	E	98.7	Very high	97.1	Very high	76 Å²	76	35.4 Å²	35.4	36%	0.355	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-67.1	-19.5	171.7	77.3	-66.2	159.8	0	0	113.9	R490 K516 S518 T521	R490-E492 VanDerWaalsContact CA-OE2 3.32Å; R490-E492 WeakPolarHBondContact CA-OE2 3.1Å; R490-E492 WeakPolarHBondContact CB-OE1 3.46Å; R490-E492 PolarHBondContact O-N 2.81Å; E492-K516 WeakPolarHBondContact CA-O 3.48Å; E492-K516 WeakPolarHBondContact CB-O 3.18Å; E492-S518 WeakPolarHBondContact O-CB 3.5Å; E492-S518 PolarHBondContact O-N 2.99Å; E492-T521 WeakPolarHBondContact O-CB 3.33Å; E492-T521 PolarHBondContact O-OG1 3.49Å
493	K	98.8	Very high	96.9	Very high	33 Å²	33	32.7 Å²	32.7	14%	0.143	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-97.5	2.9	170.4	-68.1	-70.5	174.4	-179.2	0	113.5	H469 I471 F472 R490 P491 D520	H469-K493 PolarHBondContact O-NZ 3.48Å; I471-K493 WeakPolarHBondContact CA-O 3.47Å; I471-K493 HydrophobicContact CG1-CD 4.02Å; F472-K493 PolarHBondContact N-O 3.48Å; R490-K493 HydrophobicContact CB-CB 4.31Å; R490-K493 WeakPolarHBondContact O-CA 3.14Å; R490-K493 WeakPolarHBondContact O-CB 3.23Å; R490-K493 PolarHBondContact O-N 3.48Å; P491-K493 PolarHBondContact O-N 2.98Å; K493-D520 IonicContact NZ-OD2 2.76Å; K493-D520 PolarHBondContact NZ-OD2 3.26Å
494	V	98.9	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	137	173.6	-174.4	0	0	0	0	111.3	L459 F472 I481 A485 S488 P491 T517	L459-V494 HydrophobicContact CD1-CG2 4.49Å; F472-V494 HydrophobicContact CB-CG2 4.46Å; F472-V494 HydrophobicContact CD1-CG1 4.43Å; F472-V494 WeakPolarHBondContact O-CA 3.42Å; I481-V494 HydrophobicContact CG2-CG1 4.15Å; A485-V494 HydrophobicContact CB-CB 3.96Å; A485-V494 HydrophobicContact CB-CG1 3.76Å; A485-V494 HydrophobicContact CB-CG2 4.36Å; S488-V494 WeakPolarHBondContact OG-CG2 3.45Å; P491-V494 PolarHBondContact O-N 2.98Å; P491-V494 VanDerWaalsContact O-N 3.09Å; V494-T517 WeakPolarHBondContact O-CG2 3.37Å; V494-T517 PolarHBondContact O-OG1 3.3Å
495	I	98.9	Very high	95.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	161.3	-178.1	-163.6	163.4	0	0	0	111.4	I471 F472 A473 S474 M497 I511 I512 T513 T517 T521 A525	I471-I495 HydrophobicContact CG2-CG2 3.92Å; F472-I495 PolarHBondContact O-N 2.85Å; A473-I495 CarbonylContact C-O 3.53Å; A473-I495 VanDerWaalsContact CA-O 3.25Å; A473-I495 WeakPolarHBondContact CA-O 3.34Å; A473-I495 HydrophobicContact CB-CG2 3.84Å; S474-I495 PolarHBondContact N-O 3.45Å; I495-M497 HydrophobicContact CG2-CG 4.49Å; I495-I511 HydrophobicContact CD1-CG2 3.72Å; I495-I511 HydrophobicContact CG1-CG2 4.13Å; I495-I512 WeakPolarHBondContact CG1-O 3.46Å; I495-T513 HydrophobicContact CD1-CG2 4.29Å; I495-T517 HydrophobicContact CB-CG2 3.97Å; I495-T517 HydrophobicContact CD1-CG2 3.79Å; I495-T517 HydrophobicContact CG1-CG2 3.83Å; I495-T521 HydrophobicContact CB-CG2 3.98Å; I495-T521 HydrophobicContact CD1-CG2 4.29Å; I495-T521 HydrophobicContact CG2-CG2 4.1Å; I495-A525 HydrophobicContact CD1-CB 3.83Å; I495-A525 HydrophobicContact CG2-CB 4.29Å
496	G	98.7	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.1	167.5	0	0	0	0	0	112.3	I481 I511 I512	I481-G496 VanDerWaalsContact CD1-CA 3.46Å; G496-I511 WeakPolarHBondContact O-CA 3.39Å; G496-I512 PolarHBondContact N-O 2.92Å; G496-I512 PolarHBondContact O-N 2.99Å
497	M	98.6	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	80.1	171.5	-71.4	-175.4	77.2	0	0	108.6	M443 A473 S474 N475 I495 Y499 L509 I511 A525 V528	M443-M497 HydrophobicContact SD-SD 4.02Å; A473-M497 HydrophobicContact CB-CB 4.07Å; A473-M497 HydrophobicContact CB-CG 3.72Å; A473-M497 HydrophobicContact CB-SD 3.52Å; A473-M497 VanDerWaalsContact CB-SD 3.52Å; S474-M497 PolarHBondContact O-N 3.23Å; N475-M497 WeakPolarHBondContact CA-O 3.38Å; N475-M497 PolarHBondContact OD1-O 3.24Å; I495-M497 HydrophobicContact CG2-CG 4.49Å; M497-Y499 HydrophobicContact CB-CE2 4.02Å; M497-Y499 WeakPolarHBondContact CE-OH 3.46Å; M497-Y499 WeakPolarHBondContact O-CD2 3.29Å; M497-Y499 PolarHBondContact O-N 3.25Å; M497-L509 HydrophobicContact CB-CD1 4.03Å; M497-L509 HydrophobicContact CE-CD2 3.83Å; M497-I511 HydrophobicContact CG-CG1 4.46Å; M497-A525 HydrophobicContact CE-CB 4.31Å; M497-A525 WeakPolarHBondContact CE-O 3.44Å; M497-A525 HydrophobicContact CG-CB 4.21Å; M497-A525 HydrophobicContact SD-CB 3.81Å; M497-V528 HydrophobicContact CE-CG1 4.36Å
498	H	98.1	Very high	95.3	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	103.4	-177.2	176.1	-146	0	0	0	110.5	T476 S477 F500 L509 E510 I512 T547	T476-H498 PolarHBondContact O-CD2 2.63Å; S477-H498 PolarHBondContact OG-CD2 3.34Å; S477-H498 VanDerWaalsContact OG-CD2 3.27Å; S477-H498 PolarHBondContact OG-NE2 2.95Å; H498-F500 AromaticContact CE1-CE1 3.94Å; H498-F500 AromaticContact CE1-CZ 3.62Å; H498-F500 AromaticContact ND1-CZ 3.64Å; H498-F500 WeakPolarHBondContact O-CE2 3.49Å; H498-L509 WeakPolarHBondContact O-CD1 3.25Å; H498-E510 HydrophobicContact CB-CB 4.15Å; H498-E510 IonicContact CE1-OE2 2.81Å; H498-E510 IonicContact CG-OE2 3.85Å; H498-E510 PolarHBondContact N-O 3.09Å; H498-E510 IonicContact ND1-OE2 3.74Å; H498-E510 PolarHBondContact ND1-OE2 3.28Å; H498-E510 PolarHBondContact O-N 3.4Å; H498-I512 HydrophobicContact CB-CD1 3.69Å; H498-T547 PolarHBondContact CE1-OG1 2.88Å
499	Y	97.6	Very high	95.3	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	144.1	176.2	-67	-93.6	0	0	0	111.5	M372 I376 I445 N475 M497 V503 L509 Q532	M372-Y499 WeakPolarHBondContact CE-O 3.46Å; I376-Y499 HydrophobicContact CD1-CD2 3.48Å; I376-Y499 VanDerWaalsContact CD1-CD2 3.48Å; I376-Y499 HydrophobicContact CD1-CE2 3.81Å; I376-Y499 HydrophobicContact CD1-CG 4.04Å; I376-Y499 HydrophobicContact CG1-CD1 4.21Å; I376-Y499 HydrophobicContact CG1-CD2 3.73Å; I376-Y499 HydrophobicContact CG1-CE1 4.39Å; I376-Y499 HydrophobicContact CG1-CE2 3.94Å; I376-Y499 HydrophobicContact CG1-CG 3.87Å; I376-Y499 HydrophobicContact CG2-CE2 4.07Å; I445-Y499 HydrophobicContact CD1-CE2 4.24Å; I445-Y499 HydrophobicContact CG2-CE2 4.29Å; N475-Y499 HydrophobicContact CB-CD2 4.44Å; N475-Y499 VanDerWaalsContact OD1-CB 3.31Å; N475-Y499 WeakPolarHBondContact OD1-CB 3.42Å; N475-Y499 WeakPolarHBondContact OD1-CD2 3.24Å; N475-Y499 PolarHBondContact OD1-N 2.88Å; M497-Y499 HydrophobicContact CB-CE2 4.02Å; M497-Y499 WeakPolarHBondContact CE-OH 3.46Å; M497-Y499 WeakPolarHBondContact O-CD2 3.29Å; M497-Y499 PolarHBondContact O-N 3.25Å; Y499-V503 HydrophobicContact CD1-CG1 3.79Å; Y499-V503 HydrophobicContact CG-CG1 4.24Å; Y499-L509 HydrophobicContact CD1-CB 4.48Å; Y499-L509 HydrophobicContact CD1-CD1 4.02Å; Y499-L509 HydrophobicContact CD1-CD2 4.44Å; Y499-L509 HydrophobicContact CD2-CD1 4.03Å; Y499-L509 HydrophobicContact CE1-CD1 4.06Å; Y499-L509 HydrophobicContact CE1-CD2 3.81Å; Y499-L509 HydrophobicContact CE1-CG 4.38Å; Y499-L509 HydrophobicContact CE2-CD1 4.05Å; Y499-L509 HydrophobicContact CG-CD1 4.02Å; Y499-Q532 VanDerWaalsContact CE1-OE1 3.25Å; Y499-Q532 VanDerWaalsContact OH-CD 3.29Å; Y499-Q532 PolarHBondContact OH-NE2 3.36Å; Y499-Q532 PolarHBondContact OH-OE1 3.2Å
500	F	93.2	Very high	95.3	Very high	19 Å²	19	31.3 Å²	31.3	8%	0.083	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-92.4	135.4	178.8	-67	-97	0	0	0	111.2	H498 P502 V503 M506 L508 E510 T547	H498-F500 AromaticContact CE1-CE1 3.94Å; H498-F500 AromaticContact CE1-CZ 3.62Å; H498-F500 AromaticContact ND1-CZ 3.64Å; H498-F500 WeakPolarHBondContact O-CE2 3.49Å; F500-P502 CarbonylContact O-C 3.54Å; F500-V503 WeakPolarHBondContact O-CA 3.3Å; F500-V503 PolarHBondContact O-N 2.94Å; F500-M506 HydrophobicContact CB-CB 3.85Å; F500-M506 HydrophobicContact CB-CG 4.15Å; F500-M506 WeakPolarHBondContact O-CB 3.04Å; F500-L508 HydrophobicContact CD2-CB 3.75Å; F500-L508 HydrophobicContact CD2-CD2 3.88Å; F500-L508 HydrophobicContact CD2-CG 3.85Å; F500-L508 HydrophobicContact CE1-CD2 4.22Å; F500-L508 HydrophobicContact CE2-CB 4.16Å; F500-L508 HydrophobicContact CE2-CD2 3.47Å; F500-L508 VanDerWaalsContact CE2-CD2 3.47Å; F500-L508 HydrophobicContact CE2-CG 3.72Å; F500-L508 HydrophobicContact CG-CB 4.3Å; F500-L508 HydrophobicContact CG-CD2 4.46Å; F500-L508 HydrophobicContact CZ-CD2 3.67Å; F500-L508 HydrophobicContact CZ-CG 4.41Å; F500-E510 HydrophobicContact CE2-CB 3.99Å; F500-E510 HydrophobicContact CZ-CB 4.32Å; F500-T547 HydrophobicContact CE1-CG2 4.38Å; F500-T547 HydrophobicContact CZ-CG2 3.83Å; F500-T547 WeakPolarHBondContact CZ-OG1 3.22Å
501	S	87.4	Confident	95.3	Very high	64 Å²	64	30.2 Å²	30.2	45%	0.448	16%	0.155	S	C	.	.	S	Bend	trans	-83.7	140.4	-180	-168.8	0	0	0	0	111.9	M506	S501-M506 WeakPolarHBondContact O-CG 3.12Å
502	P	90.3	Very high	95.3	Very high	54 Å²	54	29 Å²	29	35%	0.351	15%	0.147	S	C	.	.	S	Bend	cis	-76.8	130.8	-9.6	-17.6	34.1	0	0	0	112.1	F500 D504 K505 M506	F500-P502 CarbonylContact O-C 3.54Å; P502-D504 WeakPolarHBondContact CB-OD1 3.5Å; P502-D504 PolarHBondContact O-N 3.44Å; P502-D504 VanDerWaalsContact O-N 3.12Å; P502-K505 HydrophobicContact CB-CD 4.49Å; P502-K505 HydrophobicContact CG-CD 4.5Å; P502-K505 PolarHBondContact O-N 3.19Å; P502-M506 PolarHBondContact O-N 3.3Å
503	V	94.3	Very high	95.3	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.024	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.2	-170.7	-171.3	0	0	0	0	113.5	M372 I376 V379 Y499 F500 K505 K534	M372-V503 HydrophobicContact CE-CG2 3.5Å; M372-V503 VanDerWaalsContact CE-CG2 3.5Å; M372-V503 HydrophobicContact SD-CG2 3.73Å; I376-V503 HydrophobicContact CG1-CG1 3.95Å; I376-V503 HydrophobicContact CG1-CG2 4.32Å; V379-V503 HydrophobicContact CG2-CG1 4.24Å; Y499-V503 HydrophobicContact CD1-CG1 3.79Å; Y499-V503 HydrophobicContact CG-CG1 4.24Å; F500-V503 WeakPolarHBondContact O-CA 3.3Å; F500-V503 PolarHBondContact O-N 2.94Å; V503-K505 VanDerWaalsContact C-N 3.26Å; V503-K505 PolarHBondContact O-N 2.82Å; V503-K534 PolarHBondContact O-NZ 2.81Å
504	D	84.9	Confident	95.3	Very high	62 Å²	62	25.9 Å²	25.9	33%	0.332	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.3	176.7	75.2	-53.7	0	0	0	114	P502	P502-D504 WeakPolarHBondContact CB-OD1 3.5Å; P502-D504 PolarHBondContact O-N 3.44Å; P502-D504 VanDerWaalsContact O-N 3.12Å
505	K	89.2	Confident	95.2	Very high	137 Å²	137	35.8 Å²	35.8	60%	0.596	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-42.6	-174.5	-65.1	170.4	-162.5	76.8	0	112.7	P502 V503	P502-K505 HydrophobicContact CB-CD 4.49Å; P502-K505 HydrophobicContact CG-CD 4.5Å; P502-K505 PolarHBondContact O-N 3.19Å; V503-K505 VanDerWaalsContact C-N 3.26Å; V503-K505 PolarHBondContact O-N 2.82Å
506	M	92.4	Very high	95.2	Very high	58 Å²	58	42.6 Å²	42.6	29%	0.286	21%	0.212	S	C	.	.			trans	-70.3	136.3	-177.1	-65	-49.7	-66.1	0	0	111.1	F500 S501 P502 K534 F706	F500-M506 HydrophobicContact CB-CB 3.85Å; F500-M506 HydrophobicContact CB-CG 4.15Å; F500-M506 WeakPolarHBondContact O-CB 3.04Å; S501-M506 WeakPolarHBondContact O-CG 3.12Å; P502-M506 PolarHBondContact O-N 3.3Å; M506-K534 PolarHBondContact O-NZ 2.8Å; M506-F706 VanDerWaalsContact CE-O 3.29Å; M506-F706 WeakPolarHBondContact CE-O 3.29Å
507	Q	90.3	Very high	95.2	Very high	90 Å²	90	43.3 Å²	43.3	42%	0.421	22%	0.217	S	C	.	.			trans	-89.5	-29.7	-174.9	-64.1	-172.6	10.6	0	0	112.6	K534 V535	Q507-K534 CarbonylContact O-C 3.53Å; Q507-K534 VanDerWaalsContact O-CA 3.24Å; Q507-K534 WeakPolarHBondContact O-CA 3.26Å; Q507-K534 WeakPolarHBondContact O-CB 3.37Å; Q507-K534 VanDerWaalsContact O-CD 3.3Å; Q507-K534 WeakPolarHBondContact O-CD 3.3Å; Q507-V535 HydrophobicContact CB-CG2 4.11Å; Q507-V535 PolarHBondContact O-N 3.33Å
508	L	97.6	Very high	95.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	147.5	-178.2	-168	66.9	0	0	0	112.6	F500 V535 I537 T547 I702 F706 G707	F500-L508 HydrophobicContact CD2-CB 3.75Å; F500-L508 HydrophobicContact CD2-CD2 3.88Å; F500-L508 HydrophobicContact CD2-CG 3.85Å; F500-L508 HydrophobicContact CE1-CD2 4.22Å; F500-L508 HydrophobicContact CE2-CB 4.16Å; F500-L508 HydrophobicContact CE2-CD2 3.47Å; F500-L508 VanDerWaalsContact CE2-CD2 3.47Å; F500-L508 HydrophobicContact CE2-CG 3.72Å; F500-L508 HydrophobicContact CG-CB 4.3Å; F500-L508 HydrophobicContact CG-CD2 4.46Å; F500-L508 HydrophobicContact CZ-CD2 3.67Å; F500-L508 HydrophobicContact CZ-CG 4.41Å; L508-V535 CarbonylContact C-O 3.56Å; L508-V535 WeakPolarHBondContact CA-O 3.14Å; L508-I537 HydrophobicContact CD1-CD1 4.29Å; L508-I537 HydrophobicContact CD1-CG1 4.16Å; L508-I537 HydrophobicContact CD1-CG2 3.89Å; L508-I537 HydrophobicContact CD2-CD1 4.31Å; L508-T547 HydrophobicContact CD2-CG2 4.35Å; L508-I702 HydrophobicContact CD1-CG2 4.49Å; L508-F706 HydrophobicContact CB-CB 4.25Å; L508-G707 VanDerWaalsContact CD2-CA 3.45Å
509	L	98.4	Very high	95.2	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	123.3	160.1	162.4	59.1	0	0	0	106.6	M497 H498 Y499 I511 K534 V535 I536 I537	M497-L509 HydrophobicContact CB-CD1 4.03Å; M497-L509 HydrophobicContact CE-CD2 3.83Å; H498-L509 WeakPolarHBondContact O-CD1 3.25Å; Y499-L509 HydrophobicContact CD1-CB 4.48Å; Y499-L509 HydrophobicContact CD1-CD1 4.02Å; Y499-L509 HydrophobicContact CD1-CD2 4.44Å; Y499-L509 HydrophobicContact CD2-CD1 4.03Å; Y499-L509 HydrophobicContact CE1-CD1 4.06Å; Y499-L509 HydrophobicContact CE1-CD2 3.81Å; Y499-L509 HydrophobicContact CE1-CG 4.38Å; Y499-L509 HydrophobicContact CE2-CD1 4.05Å; Y499-L509 HydrophobicContact CG-CD1 4.02Å; L509-I511 HydrophobicContact CD1-CG1 4.36Å; L509-I511 HydrophobicContact CD2-CD1 4.33Å; L509-I511 HydrophobicContact CD2-CG1 4.4Å; L509-I511 HydrophobicContact CG-CD1 4.43Å; L509-I511 HydrophobicContact CG-CG1 4Å; L509-K534 HydrophobicContact CB-CB 3.91Å; L509-K534 HydrophobicContact CB-CD 4.33Å; L509-K534 HydrophobicContact CB-CG 4.02Å; L509-K534 HydrophobicContact CD2-CB 4.48Å; L509-K534 HydrophobicContact CD2-CG 4.35Å; L509-V535 PolarHBondContact N-O 2.84Å; L509-I536 HydrophobicContact CB-CD1 3.96Å; L509-I536 HydrophobicContact CD2-CD1 3.79Å; L509-I536 HydrophobicContact CG-CD1 4.06Å; L509-I536 WeakPolarHBondContact O-CA 3.47Å; L509-I537 PolarHBondContact O-N 2.93Å
510	E	98.5	Very high	95.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.5	174.6	175.8	177	-147.2	0	0	108.2	H498 F500 I512 I537 V539 F545 Y546 T547	H498-E510 HydrophobicContact CB-CB 4.15Å; H498-E510 IonicContact CE1-OE2 2.81Å; H498-E510 IonicContact CG-OE2 3.85Å; H498-E510 PolarHBondContact N-O 3.09Å; H498-E510 IonicContact ND1-OE2 3.74Å; H498-E510 PolarHBondContact ND1-OE2 3.28Å; H498-E510 PolarHBondContact O-N 3.4Å; F500-E510 HydrophobicContact CE2-CB 3.99Å; F500-E510 HydrophobicContact CZ-CB 4.32Å; E510-I512 HydrophobicContact CG-CD1 4.17Å; E510-I512 HydrophobicContact CG-CG1 4.23Å; E510-I512 WeakPolarHBondContact O-CD1 3.36Å; E510-I537 HydrophobicContact CB-CD1 4.03Å; E510-I537 HydrophobicContact CB-CG1 3.9Å; E510-I537 HydrophobicContact CG-CD1 4Å; E510-I537 HydrophobicContact CG-CG1 4.05Å; E510-V539 HydrophobicContact CG-CG1 4.48Å; E510-V539 HydrophobicContact CG-CG2 3.8Å; E510-F545 WeakPolarHBondContact OE1-CB 3.28Å; E510-Y546 WeakPolarHBondContact OE1-CB 3.47Å; E510-Y546 PolarHBondContact OE1-N 2.83Å; E510-T547 PolarHBondContact OE1-N 3.37Å; E510-T547 VanDerWaalsContact OE1-N 3.12Å; E510-T547 WeakPolarHBondContact OE2-CB 3.4Å; E510-T547 WeakPolarHBondContact OE2-CG2 3.2Å; E510-T547 PolarHBondContact OE2-OG1 3.12Å
511	I	98.6	Very high	95.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.3	179.1	-64.1	-173.7	0	0	0	108.5	I495 G496 M497 L509 A525 V526 I536 I537 V538 V539	I495-I511 HydrophobicContact CD1-CG2 3.72Å; I495-I511 HydrophobicContact CG1-CG2 4.13Å; G496-I511 WeakPolarHBondContact O-CA 3.39Å; M497-I511 HydrophobicContact CG-CG1 4.46Å; L509-I511 HydrophobicContact CD1-CG1 4.36Å; L509-I511 HydrophobicContact CD2-CD1 4.33Å; L509-I511 HydrophobicContact CD2-CG1 4.4Å; L509-I511 HydrophobicContact CG-CD1 4.43Å; L509-I511 HydrophobicContact CG-CG1 4Å; I511-A525 HydrophobicContact CD1-CB 4.09Å; I511-A525 HydrophobicContact CG2-CB 4.35Å; I511-V526 HydrophobicContact CD1-CB 4.32Å; I511-V526 HydrophobicContact CD1-CG2 3.8Å; I511-I536 HydrophobicContact CB-CG2 4.48Å; I511-I536 HydrophobicContact CD1-CG2 3.66Å; I511-I536 HydrophobicContact CG1-CG2 3.98Å; I511-I537 PolarHBondContact N-O 3.24Å; I511-V538 WeakPolarHBondContact O-CA 3.44Å; I511-V539 PolarHBondContact O-N 3.11Å
512	I	98.6	Very high	96	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.6	-169.5	-53.2	93.2	0	0	0	109.4	I481 I495 G496 H498 E510 V539 D541 F545	I481-I512 HydrophobicContact CG1-CB 3.86Å; I481-I512 HydrophobicContact CG1-CG2 3.71Å; I495-I512 WeakPolarHBondContact CG1-O 3.46Å; G496-I512 PolarHBondContact N-O 2.92Å; G496-I512 PolarHBondContact O-N 2.99Å; H498-I512 HydrophobicContact CB-CD1 3.69Å; E510-I512 HydrophobicContact CG-CD1 4.17Å; E510-I512 HydrophobicContact CG-CG1 4.23Å; E510-I512 WeakPolarHBondContact O-CD1 3.36Å; I512-V539 WeakPolarHBondContact CA-O 3.34Å; I512-V539 HydrophobicContact CB-CG2 4.28Å; I512-V539 HydrophobicContact CG1-CG2 3.77Å; I512-V539 HydrophobicContact CG2-CG2 4.38Å; I512-D541 VanDerWaalsContact CG2-CA 3.44Å; I512-D541 HydrophobicContact CG2-CB 3.84Å; I512-F545 HydrophobicContact CB-CD1 4.32Å; I512-F545 HydrophobicContact CB-CE1 4.38Å; I512-F545 HydrophobicContact CD1-CD2 4.02Å; I512-F545 HydrophobicContact CD1-CE2 4.03Å; I512-F545 HydrophobicContact CD1-CG 4.32Å; I512-F545 HydrophobicContact CD1-CZ 4.35Å; I512-F545 HydrophobicContact CG1-CB 4.25Å; I512-F545 HydrophobicContact CG1-CD1 3.76Å; I512-F545 HydrophobicContact CG1-CD2 3.92Å; I512-F545 HydrophobicContact CG1-CE1 4.05Å; I512-F545 HydrophobicContact CG1-CE2 4.19Å; I512-F545 HydrophobicContact CG1-CG 3.69Å; I512-F545 HydrophobicContact CG1-CZ 4.25Å; I512-F545 HydrophobicContact CG2-CD1 3.65Å; I512-F545 HydrophobicContact CG2-CE1 3.79Å; I512-F545 HydrophobicContact CG2-CG 4.41Å
513	T	98.2	Very high	96.4	Very high	28 Å²	28	48.1 Å²	48.1	17%	0.172	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.9	-178.3	59	0	0	0	0	111.4	I495 T517 S522 V538 V539 K540 D541	I495-T513 HydrophobicContact CD1-CG2 4.29Å; T513-T517 HydrophobicContact CG2-CG2 4.45Å; T513-S522 WeakPolarHBondContact CG2-OG 3.39Å; T513-V538 HydrophobicContact CG2-CG1 4.01Å; T513-V539 PolarHBondContact N-O 3.45Å; T513-V539 PolarHBondContact OG1-O 3.18Å; T513-K540 WeakPolarHBondContact O-CA 3.35Å; T513-D541 PolarHBondContact O-N 3.02Å
514	T	98.3	Very high	96.6	Very high	15 Å²	15	48.1 Å²	48.1	9%	0.092	23%	0.225	C	C	.	.			trans	-76.5	168.7	167.3	75.5	0	0	0	0	110.5	I481 K516 T517 D541	I481-T514 HydrophobicContact CB-CG2 3.73Å; I481-T514 HydrophobicContact CG2-CG2 3.64Å; T514-K516 PolarHBondContact O-N 3.15Å; T514-K516 PolarHBondContact OG1-N 2.66Å; T514-T517 PolarHBondContact N-OG1 2.77Å; T514-T517 VanDerWaalsContact N-OG1 3.13Å; T514-T517 PolarHBondContact O-N 2.81Å; T514-T517 PolarHBondContact OG1-N 3.4Å; T514-T517 PolarHBondContact OG1-OG1 3.08Å; T514-D541 HydrophobicContact CG2-CB 4.06Å
515	E	96.9	Very high	97.3	Very high	208 Å²	208	45.1 Å²	45.1	97%	0.972	21%	0.21	S	C	*	.	S	Bend	trans	-62.3	-25.3	172.6	-58.1	-168.8	143	0	0	113.6
516	K	98.3	Very high	97.7	Very high	144 Å²	144	38.7 Å²	38.7	63%	0.626	18%	0.182	S	C	*	.	S	Bend	trans	-85.9	-26.9	177.6	-65.3	-177.1	-179.6	176.9	0	112.8	P491 E492 T514 S518	P491-K516 HydrophobicContact CB-CB 4.21Å; P491-K516 HydrophobicContact CB-CD 3.89Å; P491-K516 HydrophobicContact CG-CD 3.83Å; E492-K516 WeakPolarHBondContact CA-O 3.48Å; E492-K516 WeakPolarHBondContact CB-O 3.18Å; T514-K516 PolarHBondContact O-N 3.15Å; T514-K516 PolarHBondContact OG1-N 2.66Å; K516-S518 PolarHBondContact O-N 2.76Å
517	T	98.7	Very high	98	Very high	15 Å²	15	37.1 Å²	37.1	9%	0.092	18%	0.178	C	C	.	.	S	Bend	trans	-58.2	121	-174.6	-60.6	0	0	0	0	111.1	V494 I495 T513 T514 T521	V494-T517 WeakPolarHBondContact O-CG2 3.37Å; V494-T517 PolarHBondContact O-OG1 3.3Å; I495-T517 HydrophobicContact CB-CG2 3.97Å; I495-T517 HydrophobicContact CD1-CG2 3.79Å; I495-T517 HydrophobicContact CG1-CG2 3.83Å; T513-T517 HydrophobicContact CG2-CG2 4.45Å; T514-T517 PolarHBondContact N-OG1 2.77Å; T514-T517 VanDerWaalsContact N-OG1 3.13Å; T514-T517 PolarHBondContact O-N 2.81Å; T514-T517 PolarHBondContact OG1-N 3.4Å; T514-T517 PolarHBondContact OG1-OG1 3.08Å; T517-T521 HydrophobicContact CG2-CG2 4.07Å
518	S	98.6	Very high	98.4	Very high	31 Å²	31	33.1 Å²	33.1	22%	0.217	16%	0.159	C	C	.	.			trans	-68.4	153.3	-175.5	94.8	0	0	0	0	113	E492 K516 D520 T521 S522	E492-S518 WeakPolarHBondContact O-CB 3.5Å; E492-S518 PolarHBondContact O-N 2.99Å; K516-S518 PolarHBondContact O-N 2.76Å; S518-D520 VanDerWaalsContact C-N 3.27Å; S518-D520 PolarHBondContact O-N 3.05Å; S518-D520 PolarHBondContact OG-N 3.25Å; S518-T521 WeakPolarHBondContact O-CB 3.46Å; S518-T521 PolarHBondContact O-N 2.78Å; S518-T521 WeakPolarHBondContact OG-CB 3.31Å; S518-T521 PolarHBondContact OG-N 3.1Å; S518-T521 PolarHBondContact OG-OG1 3.37Å; S518-S522 PolarHBondContact O-N 2.96Å; S518-S522 PolarHBondContact O-OG 2.86Å
519	R	98.3	Very high	98.5	Very high	180 Å²	180	33.1 Å²	33.1	68%	0.679	16%	0.159	S	C	*	.	H	α-helix	trans	-62.5	-32.9	175.1	-178.3	175.3	169.3	171.7	-2	112.8	F354 A523	F354-R519 HydrophobicContact CB-CG 4.37Å; F354-R519 HydrophobicContact CD1-CG 4Å; F354-R519 HydrophobicContact CG-CG 4.46Å; F354-R519 PolarHBondContact O-NH2 3.34Å; R519-A523 WeakPolarHBondContact O-CB 3.47Å; R519-A523 PolarHBondContact O-N 3.24Å
520	D	98.6	Very high	98.5	Very high	31 Å²	31	35.2 Å²	35.2	17%	0.166	17%	0.17	C	C	.	.	H	α-helix	trans	-69.2	-43.1	174.6	171.7	70	0	0	0	111.6	Q358 K493 S518 S522 A523 S524	Q358-D520 WeakPolarHBondContact CB-OD1 3.39Å; Q358-D520 PolarHBondContact N-OD1 3.09Å; K493-D520 IonicContact NZ-OD2 2.76Å; K493-D520 PolarHBondContact NZ-OD2 3.26Å; S518-D520 VanDerWaalsContact C-N 3.27Å; S518-D520 PolarHBondContact O-N 3.05Å; S518-D520 PolarHBondContact OG-N 3.25Å; D520-S522 VanDerWaalsContact C-N 3.27Å; D520-S522 PolarHBondContact O-N 3.44Å; D520-A523 PolarHBondContact O-N 2.77Å; D520-S524 WeakPolarHBondContact O-CB 3.17Å; D520-S524 PolarHBondContact O-N 2.8Å
521	T	98.8	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-54.3	-47.5	172.9	-53	0	0	0	0	110.5	I471 E492 I495 T517 S518 S524 A525	I471-T521 HydrophobicContact CB-CG2 4.49Å; I471-T521 HydrophobicContact CD1-CG2 4.24Å; I471-T521 HydrophobicContact CG1-CG2 4.06Å; I471-T521 HydrophobicContact CG2-CG2 3.76Å; E492-T521 WeakPolarHBondContact O-CB 3.33Å; E492-T521 PolarHBondContact O-OG1 3.49Å; I495-T521 HydrophobicContact CB-CG2 3.98Å; I495-T521 HydrophobicContact CD1-CG2 4.29Å; I495-T521 HydrophobicContact CG2-CG2 4.1Å; T517-T521 HydrophobicContact CG2-CG2 4.07Å; S518-T521 WeakPolarHBondContact O-CB 3.46Å; S518-T521 PolarHBondContact O-N 2.78Å; S518-T521 WeakPolarHBondContact OG-CB 3.31Å; S518-T521 PolarHBondContact OG-N 3.1Å; S518-T521 PolarHBondContact OG-OG1 3.37Å; T521-S524 PolarHBondContact O-N 3.39Å; T521-A525 WeakPolarHBondContact O-CB 3.41Å; T521-A525 PolarHBondContact O-N 2.99Å
522	S	98.6	Very high	98.4	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.028	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-42.8	177.6	-52.2	0	0	0	0	112.4	F354 T513 S518 D520 S524 V526	F354-S522 VanDerWaalsContact CE2-CB 3.48Å; T513-S522 WeakPolarHBondContact CG2-OG 3.39Å; S518-S522 PolarHBondContact O-N 2.96Å; S518-S522 PolarHBondContact O-OG 2.86Å; D520-S522 VanDerWaalsContact C-N 3.27Å; D520-S522 PolarHBondContact O-N 3.44Å; S522-S524 VanDerWaalsContact C-N 3.31Å; S522-S524 PolarHBondContact O-N 2.94Å; S522-V526 WeakPolarHBondContact O-CB 3.33Å; S522-V526 WeakPolarHBondContact O-CG2 3.32Å; S522-V526 PolarHBondContact O-N 2.93Å
523	A	98.7	Very high	98.2	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-40.7	175	0	0	0	0	0	112.1	N352 F354 P357 R519 D520 A527	N352-A523 PolarHBondContact ND2-O 2.81Å; F354-A523 HydrophobicContact CB-CB 3.71Å; P357-A523 HydrophobicContact CB-CB 4.24Å; R519-A523 WeakPolarHBondContact O-CB 3.47Å; R519-A523 PolarHBondContact O-N 3.24Å; D520-A523 PolarHBondContact O-N 2.77Å; A523-A527 WeakPolarHBondContact O-CB 3.4Å; A523-A527 PolarHBondContact O-N 2.82Å
524	S	98.8	Very high	98.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-72.8	-43.9	-179.3	-171.4	0	0	0	0	112.3	D520 T521 S522 V526 A527 V528	D520-S524 WeakPolarHBondContact O-CB 3.17Å; D520-S524 PolarHBondContact O-N 2.8Å; T521-S524 PolarHBondContact O-N 3.39Å; S522-S524 VanDerWaalsContact C-N 3.31Å; S522-S524 PolarHBondContact O-N 2.94Å; S524-V526 PolarHBondContact O-N 3.1Å; S524-A527 WeakPolarHBondContact O-CB 3.2Å; S524-A527 PolarHBondContact O-N 2.89Å; S524-A527 VanDerWaalsContact O-N 3.12Å; S524-V528 WeakPolarHBondContact O-CG2 3.39Å; S524-V528 PolarHBondContact O-N 3.48Å
525	A	98.8	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-44.7	173.8	0	0	0	0	0	112.1	M443 I495 M497 I511 T521 A527 V528 G529	M443-A525 HydrophobicContact CE-CB 4.33Å; I495-A525 HydrophobicContact CD1-CB 3.83Å; I495-A525 HydrophobicContact CG2-CB 4.29Å; M497-A525 HydrophobicContact CE-CB 4.31Å; M497-A525 WeakPolarHBondContact CE-O 3.44Å; M497-A525 HydrophobicContact CG-CB 4.21Å; M497-A525 HydrophobicContact SD-CB 3.81Å; I511-A525 HydrophobicContact CD1-CB 4.09Å; I511-A525 HydrophobicContact CG2-CB 4.35Å; T521-A525 WeakPolarHBondContact O-CB 3.41Å; T521-A525 PolarHBondContact O-N 2.99Å; A525-A527 PolarHBondContact O-N 2.83Å; A525-V528 PolarHBondContact O-N 3.27Å; A525-G529 PolarHBondContact O-N 3.41Å
526	V	98.7	Very high	98.3	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-42.5	173.8	175.6	0	0	0	0	110.8	N352 F354 I511 S522 S524 V528 G529 L530 I536 V538	N352-V526 HydrophobicContact CB-CG1 4.02Å; N352-V526 VanDerWaalsContact CG-CG1 3.48Å; N352-V526 WeakPolarHBondContact OD1-CG1 3.24Å; F354-V526 HydrophobicContact CD2-CG2 4.04Å; F354-V526 HydrophobicContact CE2-CG2 4.11Å; I511-V526 HydrophobicContact CD1-CB 4.32Å; I511-V526 HydrophobicContact CD1-CG2 3.8Å; S522-V526 WeakPolarHBondContact O-CB 3.33Å; S522-V526 WeakPolarHBondContact O-CG2 3.32Å; S522-V526 PolarHBondContact O-N 2.93Å; S524-V526 PolarHBondContact O-N 3.1Å; V526-V528 PolarHBondContact O-N 2.98Å; V526-G529 PolarHBondContact O-N 3.35Å; V526-L530 HydrophobicContact CG1-CD1 3.81Å; V526-L530 HydrophobicContact CG1-CG 4.29Å; V526-L530 WeakPolarHBondContact O-CB 3.21Å; V526-L530 VanDerWaalsContact O-CG 3.22Å; V526-L530 WeakPolarHBondContact O-CG 3.32Å; V526-L530 PolarHBondContact O-N 3Å; V526-I536 HydrophobicContact CG1-CG1 4.46Å; V526-I536 HydrophobicContact CG1-CG2 4.31Å; V526-I536 HydrophobicContact CG2-CG2 4.13Å; V526-V538 HydrophobicContact CG2-CG2 4.02Å
527	A	98.6	Very high	98.3	Very high	25 Å²	25	24 Å²	24	21%	0.207	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-41.7	177.8	0	0	0	0	0	112.7	N352 P357 A523 S524 A525 L530 K531	N352-A527 PolarHBondContact ND2-N 2.87Å; P357-A527 HydrophobicContact CG-CB 4.31Å; A523-A527 WeakPolarHBondContact O-CB 3.4Å; A523-A527 PolarHBondContact O-N 2.82Å; S524-A527 WeakPolarHBondContact O-CB 3.2Å; S524-A527 PolarHBondContact O-N 2.89Å; S524-A527 VanDerWaalsContact O-N 3.12Å; A525-A527 PolarHBondContact O-N 2.83Å; A527-L530 PolarHBondContact O-N 3.29Å; A527-K531 VanDerWaalsContact O-CB 3.32Å; A527-K531 WeakPolarHBondContact O-CB 3.26Å; A527-K531 PolarHBondContact O-N 3.43Å
528	V	98.7	Very high	98.2	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-64.2	-46.5	175.6	170	0	0	0	0	111.2	V361 M443 M497 S524 A525 V526 L530 K531 Q532	V361-V528 HydrophobicContact CB-CG2 3.65Å; V361-V528 HydrophobicContact CG1-CG2 4.04Å; V361-V528 HydrophobicContact CG2-CG2 3.63Å; M443-V528 HydrophobicContact CE-CB 4.42Å; M443-V528 HydrophobicContact CE-CG2 3.91Å; M443-V528 HydrophobicContact SD-CB 4.14Å; M443-V528 HydrophobicContact SD-CG1 4.14Å; M443-V528 HydrophobicContact SD-CG2 3.85Å; M497-V528 HydrophobicContact CE-CG1 4.36Å; S524-V528 WeakPolarHBondContact O-CG2 3.39Å; S524-V528 PolarHBondContact O-N 3.48Å; A525-V528 PolarHBondContact O-N 3.27Å; V526-V528 PolarHBondContact O-N 2.98Å; V528-L530 PolarHBondContact O-N 3.5Å; V528-K531 WeakPolarHBondContact O-CB 3.32Å; V528-K531 PolarHBondContact O-N 3.48Å; V528-Q532 WeakPolarHBondContact O-CG 3.38Å; V528-Q532 PolarHBondContact O-N 3.33Å
529	G	98.3	Very high	98.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-44.8	176.1	0	0	0	0	0	113	A525 V526 Q532 G533 K534	A525-G529 PolarHBondContact O-N 3.41Å; V526-G529 PolarHBondContact O-N 3.35Å; G529-Q532 WeakPolarHBondContact O-CB 3.27Å; G529-Q532 PolarHBondContact O-N 3.18Å; G529-G533 PolarHBondContact O-N 3.3Å; G529-K534 WeakPolarHBondContact O-CB 3.46Å; G529-K534 PolarHBondContact O-N 2.61Å
530	L	98.1	Very high	98.2	Very high	44 Å²	44	19.5 Å²	19.5	23%	0.23	11%	0.11	C	C	.	.	H	α-helix	trans	-64.1	-40.4	175.2	-68.6	172	0	0	0	111.9	K350 N352 V526 A527 V528 G533 I536	K350-L530 HydrophobicContact CB-CD2 4.49Å; N352-L530 HydrophobicContact CB-CD1 3.97Å; V526-L530 HydrophobicContact CG1-CD1 3.81Å; V526-L530 HydrophobicContact CG1-CG 4.29Å; V526-L530 WeakPolarHBondContact O-CB 3.21Å; V526-L530 VanDerWaalsContact O-CG 3.22Å; V526-L530 WeakPolarHBondContact O-CG 3.32Å; V526-L530 PolarHBondContact O-N 3Å; A527-L530 PolarHBondContact O-N 3.29Å; V528-L530 PolarHBondContact O-N 3.5Å; L530-G533 WeakPolarHBondContact O-CA 3.32Å; L530-G533 PolarHBondContact O-N 2.82Å; L530-I536 HydrophobicContact CD2-CG1 3.76Å; L530-I536 HydrophobicContact CG-CG1 3.92Å
531	K	97.6	Very high	98.2	Very high	90 Å²	90	19.4 Å²	19.4	39%	0.391	11%	0.11	S	C	.	.	H	α-helix	trans	-62.4	-41.6	175.5	-174.8	175.7	179.8	-178.8	0	111.7	K383 L385 A527 V528 G533	K383-K531 HydrophobicContact CB-CG 4.29Å; K383-K531 WeakPolarHBondContact CD-O 3.48Å; K383-K531 WeakPolarHBondContact CG-O 3.34Å; L385-K531 HydrophobicContact CD1-CD 4.22Å; L385-K531 HydrophobicContact CD2-CD 4.14Å; L385-K531 VanDerWaalsContact CD2-NZ 3.27Å; L385-K531 HydrophobicContact CG-CD 4.12Å; A527-K531 VanDerWaalsContact O-CB 3.32Å; A527-K531 WeakPolarHBondContact O-CB 3.26Å; A527-K531 PolarHBondContact O-N 3.43Å; V528-K531 WeakPolarHBondContact O-CB 3.32Å; V528-K531 PolarHBondContact O-N 3.48Å; K531-G533 PolarHBondContact O-N 3.22Å
532	Q	97.6	Very high	97.9	Very high	8 Å²	8	20 Å²	20	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-19.3	171.8	-70.8	166.2	-17.5	0	0	113	V379 S380 Y499 V528 G529 K534	V379-Q532 HydrophobicContact CB-CB 4.41Å; V379-Q532 HydrophobicContact CG2-CB 4.12Å; V379-Q532 HydrophobicContact CG2-CG 4.05Å; S380-Q532 PolarHBondContact OG-NE2 2.99Å; Y499-Q532 VanDerWaalsContact CE1-OE1 3.25Å; Y499-Q532 VanDerWaalsContact OH-CD 3.29Å; Y499-Q532 PolarHBondContact OH-NE2 3.36Å; Y499-Q532 PolarHBondContact OH-OE1 3.2Å; V528-Q532 WeakPolarHBondContact O-CG 3.38Å; V528-Q532 PolarHBondContact O-N 3.33Å; G529-Q532 WeakPolarHBondContact O-CB 3.27Å; G529-Q532 PolarHBondContact O-N 3.18Å; Q532-K534 HydrophobicContact CB-CG 4.28Å
533	G	95.8	Very high	97.5	Very high	49 Å²	49	21.7 Å²	21.7	51%	0.505	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	20.7	179.5	0	0	0	0	0	114.2	G529 L530 K531	G529-G533 PolarHBondContact O-N 3.3Å; L530-G533 WeakPolarHBondContact O-CA 3.32Å; L530-G533 PolarHBondContact O-N 2.82Å; K531-G533 PolarHBondContact O-N 3.22Å
534	K	97.9	Very high	97	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.03	13%	0.125	C	C	.	.			trans	-80.5	162.8	-179.8	-60.5	-73.3	176.9	171.4	0	112.5	V503 M506 Q507 L509 G529 Q532 I536	V503-K534 PolarHBondContact O-NZ 2.81Å; M506-K534 PolarHBondContact O-NZ 2.8Å; Q507-K534 CarbonylContact O-C 3.53Å; Q507-K534 VanDerWaalsContact O-CA 3.24Å; Q507-K534 WeakPolarHBondContact O-CA 3.26Å; Q507-K534 WeakPolarHBondContact O-CB 3.37Å; Q507-K534 VanDerWaalsContact O-CD 3.3Å; Q507-K534 WeakPolarHBondContact O-CD 3.3Å; L509-K534 HydrophobicContact CB-CB 3.91Å; L509-K534 HydrophobicContact CB-CD 4.33Å; L509-K534 HydrophobicContact CB-CG 4.02Å; L509-K534 HydrophobicContact CD2-CB 4.48Å; L509-K534 HydrophobicContact CD2-CG 4.35Å; G529-K534 WeakPolarHBondContact O-CB 3.46Å; G529-K534 PolarHBondContact O-N 2.61Å; Q532-K534 HydrophobicContact CB-CG 4.28Å; K534-I536 HydrophobicContact CB-CD1 3.75Å
535	V	97.8	Very high	96.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.4	162.6	179	0	0	0	0	106.3	Q346 C349 K350 Q507 L508 L509 I702	Q346-V535 HydrophobicContact CG-CG1 4.15Å; Q346-V535 HydrophobicContact CG-CG2 3.75Å; C349-V535 HydrophobicContact CB-CG1 3.58Å; K350-V535 HydrophobicContact CG-CG2 4.49Å; Q507-V535 HydrophobicContact CB-CG2 4.11Å; Q507-V535 PolarHBondContact O-N 3.33Å; L508-V535 CarbonylContact C-O 3.56Å; L508-V535 WeakPolarHBondContact CA-O 3.14Å; L509-V535 PolarHBondContact N-O 2.84Å; V535-I702 HydrophobicContact CG1-CG2 3.38Å
536	I	98.3	Very high	96.8	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.036	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.6	-171.4	-47.1	-57.5	0	0	0	110.6	C349 L509 I511 V526 L530 K534 V538	C349-I536 WeakPolarHBondContact CA-O 3.48Å; C349-I536 WeakPolarHBondContact CB-O 3.26Å; C349-I536 PolarHBondContact O-N 3.26Å; L509-I536 HydrophobicContact CB-CD1 3.96Å; L509-I536 HydrophobicContact CD2-CD1 3.79Å; L509-I536 HydrophobicContact CG-CD1 4.06Å; L509-I536 WeakPolarHBondContact O-CA 3.47Å; I511-I536 HydrophobicContact CB-CG2 4.48Å; I511-I536 HydrophobicContact CD1-CG2 3.66Å; I511-I536 HydrophobicContact CG1-CG2 3.98Å; V526-I536 HydrophobicContact CG1-CG1 4.46Å; V526-I536 HydrophobicContact CG1-CG2 4.31Å; V526-I536 HydrophobicContact CG2-CG2 4.13Å; L530-I536 HydrophobicContact CD2-CG1 3.76Å; L530-I536 HydrophobicContact CG-CG1 3.92Å; K534-I536 HydrophobicContact CB-CD1 3.75Å; I536-V538 HydrophobicContact CG2-CG2 4.17Å
537	I	98.4	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.1	162.5	65.8	176.2	0	0	0	108.1	L508 L509 E510 I511 Y546 T547 E699 I702	L508-I537 HydrophobicContact CD1-CD1 4.29Å; L508-I537 HydrophobicContact CD1-CG1 4.16Å; L508-I537 HydrophobicContact CD1-CG2 3.89Å; L508-I537 HydrophobicContact CD2-CD1 4.31Å; L509-I537 PolarHBondContact O-N 2.93Å; E510-I537 HydrophobicContact CB-CD1 4.03Å; E510-I537 HydrophobicContact CB-CG1 3.9Å; E510-I537 HydrophobicContact CG-CD1 4Å; E510-I537 HydrophobicContact CG-CG1 4.05Å; I511-I537 PolarHBondContact N-O 3.24Å; I537-Y546 HydrophobicContact CD1-CD1 4.06Å; I537-T547 HydrophobicContact CD1-CG2 4.03Å; I537-E699 HydrophobicContact CB-CB 4.28Å; I537-E699 HydrophobicContact CG2-CB 4.22Å; I537-E699 VanDerWaalsContact CG2-O 3.24Å; I537-E699 WeakPolarHBondContact CG2-O 3.46Å; I537-I702 HydrophobicContact CG2-CB 4.32Å; I537-I702 HydrophobicContact CG2-CG2 3.99Å
538	V	98.4	Very high	96.5	Very high	9 Å²	9	20.8 Å²	20.8	6%	0.055	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.5	177.8	-171	0	0	0	0	110	K353 F354 I511 T513 V526 I536 E699	K353-V538 HydrophobicContact CD-CB 4.2Å; K353-V538 HydrophobicContact CD-CG2 4.1Å; F354-V538 HydrophobicContact CE2-CG1 3.99Å; F354-V538 HydrophobicContact CE2-CG2 4.18Å; F354-V538 HydrophobicContact CZ-CG1 3.92Å; I511-V538 WeakPolarHBondContact O-CA 3.44Å; T513-V538 HydrophobicContact CG2-CG1 4.01Å; V526-V538 HydrophobicContact CG2-CG2 4.02Å; I536-V538 HydrophobicContact CG2-CG2 4.17Å; V538-E699 PolarHBondContact N-OE2 3.5Å
539	V	98.2	Very high	96.3	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.6	-175.2	-57.7	0	0	0	0	110.8	E510 I511 I512 T513 F545 I693 L694	E510-V539 HydrophobicContact CG-CG1 4.48Å; E510-V539 HydrophobicContact CG-CG2 3.8Å; I511-V539 PolarHBondContact O-N 3.11Å; I512-V539 WeakPolarHBondContact CA-O 3.34Å; I512-V539 HydrophobicContact CB-CG2 4.28Å; I512-V539 HydrophobicContact CG1-CG2 3.77Å; I512-V539 HydrophobicContact CG2-CG2 4.38Å; T513-V539 PolarHBondContact N-O 3.45Å; T513-V539 PolarHBondContact OG1-O 3.18Å; V539-F545 HydrophobicContact CG2-CB 4.35Å; V539-I693 CarbonylContact C-O 3.57Å; V539-I693 VanDerWaalsContact CA-O 3.24Å; V539-I693 WeakPolarHBondContact CA-O 3.37Å; V539-I693 HydrophobicContact CB-CG2 4.09Å; V539-L694 HydrophobicContact CG1-CD2 4.15Å
540	K	98.2	Very high	96.2	Very high	120 Å²	120	20.7 Å²	20.7	52%	0.522	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	157.1	166	-58.9	-173.6	-170.8	166.7	0	110.5	T513 G692 I693	T513-K540 WeakPolarHBondContact O-CA 3.35Å; K540-G692 WeakPolarHBondContact CD-O 3.47Å; K540-G692 WeakPolarHBondContact CE-O 3.45Å; K540-G692 WeakPolarHBondContact CG-O 3.17Å; K540-G692 PolarHBondContact NZ-O 2.88Å; K540-I693 PolarHBondContact N-O 2.65Å
541	D	97.6	Very high	96.1	Very high	29 Å²	29	20.2 Å²	20.2	16%	0.155	12%	0.115	C	C	.	.			trans	-63.9	150.6	170.7	-168.3	40	0	0	0	112.8	I481 S482 I512 T513 T514 F545	I481-D541 PolarHBondContact N-OD1 3.41Å; I481-D541 PolarHBondContact N-OD2 2.98Å; S482-D541 WeakPolarHBondContact CB-OD2 3.29Å; S482-D541 PolarHBondContact N-OD2 3.45Å; S482-D541 PolarHBondContact OG-OD2 3.5Å; I512-D541 VanDerWaalsContact CG2-CA 3.44Å; I512-D541 HydrophobicContact CG2-CB 3.84Å; T513-D541 PolarHBondContact O-N 3.02Å; T514-D541 HydrophobicContact CG2-CB 4.06Å; D541-F545 WeakPolarHBondContact OD1-CE1 3.24Å
542	G	92.7	Very high	95.9	Very high	12 Å²	12	16.3 Å²	16.3	12%	0.124	10%	0.099	C	C	.	.			trans	165.4	157.9	-178.5	0	0	0	0	0	111.5	G544 F545	G542-G544 PolarHBondContact O-N 3.23Å; G542-G544 VanDerWaalsContact O-N 3.16Å; G542-F545 WeakPolarHBondContact O-CA 3.17Å; G542-F545 WeakPolarHBondContact O-CD1 3.3Å; G542-F545 PolarHBondContact O-N 3.25Å
543	P	89.9	Confident	95.8	Very high	39 Å²	39	16 Å²	16	25%	0.253	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	117.6	-174.9	-27.6	38.1	0	0	0	113.1	P480 F545 L603 V606 F607	P480-P543 HydrophobicContact CG-CG 4.26Å; P543-F545 PolarHBondContact O-N 3.16Å; P543-L603 HydrophobicContact CB-CD2 4.04Å; P543-V606 HydrophobicContact CB-CB 4.48Å; P543-V606 HydrophobicContact CB-CG1 3.87Å; P543-V606 HydrophobicContact CB-CG2 4.3Å; P543-V606 HydrophobicContact CG-CG1 3.86Å; P543-V606 HydrophobicContact CG-CG2 4.49Å; P543-F607 HydrophobicContact CB-CE2 4.15Å; P543-F607 HydrophobicContact CB-CZ 4.24Å
544	G	89.8	Confident	95.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	10.5	-174.5	0	0	0	0	0	115.4	A478 G542 T548 R549	A478-G544 PolarHBondContact O-N 3.05Å; G542-G544 PolarHBondContact O-N 3.23Å; G542-G544 VanDerWaalsContact O-N 3.16Å; G544-T548 WeakPolarHBondContact O-CB 3.02Å; G544-T548 PolarHBondContact O-N 2.67Å; G544-R549 WeakPolarHBondContact O-CB 3.42Å; G544-R549 PolarHBondContact O-N 2.94Å
545	F	95.1	Very high	95.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-136.8	176.6	-45	-46.7	0	0	0	112.8	T476 L479 I481 E510 I512 V539 D541 G542 P543 R549	T476-F545 HydrophobicContact CG2-CE2 4.2Å; T476-F545 HydrophobicContact CG2-CZ 3.84Å; L479-F545 VanDerWaalsContact O-CZ 3.28Å; L479-F545 WeakPolarHBondContact O-CZ 3.37Å; I481-F545 HydrophobicContact CD1-CE1 4.43Å; I481-F545 HydrophobicContact CD1-CZ 4.04Å; I481-F545 HydrophobicContact CG1-CE1 4.07Å; I481-F545 HydrophobicContact CG1-CZ 4.19Å; E510-F545 WeakPolarHBondContact OE1-CB 3.28Å; I512-F545 HydrophobicContact CB-CD1 4.32Å; I512-F545 HydrophobicContact CB-CE1 4.38Å; I512-F545 HydrophobicContact CD1-CD2 4.02Å; I512-F545 HydrophobicContact CD1-CE2 4.03Å; I512-F545 HydrophobicContact CD1-CG 4.32Å; I512-F545 HydrophobicContact CD1-CZ 4.35Å; I512-F545 HydrophobicContact CG1-CB 4.25Å; I512-F545 HydrophobicContact CG1-CD1 3.76Å; I512-F545 HydrophobicContact CG1-CD2 3.92Å; I512-F545 HydrophobicContact CG1-CE1 4.05Å; I512-F545 HydrophobicContact CG1-CE2 4.19Å; I512-F545 HydrophobicContact CG1-CG 3.69Å; I512-F545 HydrophobicContact CG1-CZ 4.25Å; I512-F545 HydrophobicContact CG2-CD1 3.65Å; I512-F545 HydrophobicContact CG2-CE1 3.79Å; I512-F545 HydrophobicContact CG2-CG 4.41Å; V539-F545 HydrophobicContact CG2-CB 4.35Å; D541-F545 WeakPolarHBondContact OD1-CE1 3.24Å; G542-F545 WeakPolarHBondContact O-CA 3.17Å; G542-F545 WeakPolarHBondContact O-CD1 3.3Å; G542-F545 PolarHBondContact O-N 3.25Å; P543-F545 PolarHBondContact O-N 3.16Å; F545-R549 WeakPolarHBondContact O-CB 3.43Å
546	Y	97.6	Very high	95.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-51.2	165.4	168.1	-120.8	0	0	0	111	E510 I537 C550 A685 C688 L694 G700	E510-Y546 WeakPolarHBondContact OE1-CB 3.47Å; E510-Y546 PolarHBondContact OE1-N 2.83Å; I537-Y546 HydrophobicContact CD1-CD1 4.06Å; Y546-C550 VanDerWaalsContact CD2-SG 3.54Å; Y546-C550 WeakPolarHBondContact CE2-SG 3.49Å; Y546-C550 PolarHBondContact O-N 3.37Å; Y546-C550 VanDerWaalsContact O-N 3.09Å; Y546-C550 PolarHBondContact O-SG 2.68Å; Y546-A685 HydrophobicContact CE2-CB 3.95Å; Y546-C688 HydrophobicContact CD2-CB 3.76Å; Y546-C688 HydrophobicContact CE2-CB 4.32Å; Y546-L694 HydrophobicContact CD1-CD2 3.86Å; Y546-L694 HydrophobicContact CD2-CD1 3.71Å; Y546-L694 HydrophobicContact CD2-CD2 4.04Å; Y546-L694 HydrophobicContact CD2-CG 3.78Å; Y546-L694 HydrophobicContact CE1-CD2 4.2Å; Y546-L694 HydrophobicContact CE2-CD1 3.52Å; Y546-L694 HydrophobicContact CE2-CD2 4.36Å; Y546-L694 HydrophobicContact CE2-CG 4.11Å; Y546-L694 HydrophobicContact CG-CD1 4.31Å; Y546-L694 HydrophobicContact CG-CD2 3.78Å; Y546-L694 HydrophobicContact CG-CG 4.01Å; Y546-G700 WeakPolarHBondContact CE1-O 3.47Å; Y546-G700 PolarHBondContact OH-O 3.18Å
547	T	95.6	Very high	95.3	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-75.7	-53.1	-161.7	65.8	0	0	0	0	114	H498 F500 L508 E510 I537 R549 C550 L551 L708	H498-T547 PolarHBondContact CE1-OG1 2.88Å; F500-T547 HydrophobicContact CE1-CG2 4.38Å; F500-T547 HydrophobicContact CZ-CG2 3.83Å; F500-T547 WeakPolarHBondContact CZ-OG1 3.22Å; L508-T547 HydrophobicContact CD2-CG2 4.35Å; E510-T547 PolarHBondContact OE1-N 3.37Å; E510-T547 VanDerWaalsContact OE1-N 3.12Å; E510-T547 WeakPolarHBondContact OE2-CB 3.4Å; E510-T547 WeakPolarHBondContact OE2-CG2 3.2Å; E510-T547 PolarHBondContact OE2-OG1 3.12Å; I537-T547 HydrophobicContact CD1-CG2 4.03Å; T547-R549 VanDerWaalsContact C-N 3.27Å; T547-R549 PolarHBondContact O-N 2.97Å; T547-C550 PolarHBondContact O-N 3.18Å; T547-L551 PolarHBondContact O-N 2.89Å; T547-L551 VanDerWaalsContact O-N 3.14Å; T547-L708 VanDerWaalsContact O-CD1 3.24Å; T547-L708 WeakPolarHBondContact O-CD1 3.31Å
548	T	94.4	Very high	95.2	Very high	15 Å²	15	15.4 Å²	15.4	9%	0.092	8%	0.084	C	C	.	.	H	α-helix	trans	-60.4	-40.9	178.1	-49.9	0	0	0	0	110.8	S477 G544 L551 A552 V599 L603	S477-T548 VanDerWaalsContact O-CB 3.23Å; S477-T548 WeakPolarHBondContact O-CB 3.37Å; S477-T548 WeakPolarHBondContact O-CG2 3.39Å; S477-T548 PolarHBondContact O-OG1 3.25Å; G544-T548 WeakPolarHBondContact O-CB 3.02Å; G544-T548 PolarHBondContact O-N 2.67Å; T548-L551 PolarHBondContact O-N 3.42Å; T548-A552 WeakPolarHBondContact O-CB 3.4Å; T548-A552 PolarHBondContact O-N 3.36Å; T548-V599 HydrophobicContact CG2-CG1 3.5Å; T548-V599 VanDerWaalsContact CG2-CG1 3.5Å; T548-V599 HydrophobicContact CG2-CG2 4.29Å; T548-L603 HydrophobicContact CG2-CD1 4.11Å
549	R	95.7	Very high	95.1	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.011	8%	0.084	C	C	.	.	H	α-helix	trans	-58.4	-46.5	176.5	-176.8	-178.4	166.4	165.8	-0.2	113.1	G544 F545 T547 L551 P553 F607 F611 E684 E691	G544-R549 WeakPolarHBondContact O-CB 3.42Å; G544-R549 PolarHBondContact O-N 2.94Å; F545-R549 WeakPolarHBondContact O-CB 3.43Å; T547-R549 VanDerWaalsContact C-N 3.27Å; T547-R549 PolarHBondContact O-N 2.97Å; R549-L551 VanDerWaalsContact C-N 3.32Å; R549-L551 PolarHBondContact O-N 3.12Å; R549-P553 WeakPolarHBondContact O-CD 3.36Å; R549-F607 HydrophobicContact CG-CE2 4.21Å; R549-F607 HydrophobicContact CG-CZ 4.35Å; R549-F611 HydrophobicContact CG-CE2 4.31Å; R549-F611 HydrophobicContact CG-CZ 3.76Å; R549-E684 IonicContact CZ-OE2 2.73Å; R549-E684 IonicContact NE-OE2 2.77Å; R549-E684 PolarHBondContact NE-OE2 3.16Å; R549-E684 IonicContact NH2-OE2 3.6Å; R549-E684 PolarHBondContact NH2-OE2 2.88Å; R549-E691 IonicContact CZ-OE1 2.8Å; R549-E691 IonicContact CZ-OE2 2.68Å; R549-E691 VanDerWaalsContact CZ-OE2 3.26Å; R549-E691 IonicContact NH1-OE1 2.8Å; R549-E691 IonicContact NH1-OE2 3.58Å; R549-E691 PolarHBondContact NH1-OE2 2.87Å; R549-E691 IonicContact NH2-OE1 3.57Å; R549-E691 PolarHBondContact NH2-OE1 3.5Å; R549-E691 IonicContact NH2-OE2 2.64Å; R549-E691 PolarHBondContact NH2-OE2 3.02Å
550	C	96.1	Very high	94.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-70.3	-29.5	178.3	-66	0	0	0	0	113	Y546 T547 F681 E684 A685 L708	Y546-C550 VanDerWaalsContact CD2-SG 3.54Å; Y546-C550 WeakPolarHBondContact CE2-SG 3.49Å; Y546-C550 PolarHBondContact O-N 3.37Å; Y546-C550 VanDerWaalsContact O-N 3.09Å; Y546-C550 PolarHBondContact O-SG 2.68Å; T547-C550 PolarHBondContact O-N 3.18Å; C550-F681 HydrophobicContact CB-CD2 4.39Å; C550-F681 HydrophobicContact CB-CE2 4.27Å; C550-F681 HydrophobicContact CB-CZ 4.47Å; C550-F681 VanDerWaalsContact O-CD2 3.31Å; C550-F681 WeakPolarHBondContact O-CD2 3.5Å; C550-E684 HydrophobicContact CB-CB 4.29Å; C550-A685 VanDerWaalsContact SG-CA 3.6Å; C550-L708 HydrophobicContact CB-CD1 4.29Å
551	L	94.8	Very high	94.9	Very high	34 Å²	34	10.9 Å²	10.9	18%	0.178	6%	0.063	C	C	.	.	H	α-helix	trans	-74.4	-37.8	177.8	-171.7	68	0	0	0	112.4	T547 T548 R549 M554 M555 L587 L708	T547-L551 PolarHBondContact O-N 2.89Å; T547-L551 VanDerWaalsContact O-N 3.14Å; T548-L551 PolarHBondContact O-N 3.42Å; R549-L551 VanDerWaalsContact C-N 3.32Å; R549-L551 PolarHBondContact O-N 3.12Å; L551-M554 HydrophobicContact CD1-CE 3.9Å; L551-M554 WeakPolarHBondContact O-CA 3.47Å; L551-M554 VanDerWaalsContact O-CB 3.31Å; L551-M554 WeakPolarHBondContact O-CB 3.23Å; L551-M554 PolarHBondContact O-N 2.81Å; L551-M554 VanDerWaalsContact O-N 3.08Å; L551-M555 HydrophobicContact CD1-CE 4.13Å; L551-M555 HydrophobicContact CG-CG 4.13Å; L551-M555 PolarHBondContact O-N 3.46Å; L551-L587 HydrophobicContact CD1-CD2 4.31Å; L551-L708 HydrophobicContact CB-CD1 4.45Å; L551-L708 HydrophobicContact CB-CD2 4.09Å; L551-L708 HydrophobicContact CD1-CD2 4.47Å; L551-L708 HydrophobicContact CD2-CD2 4.16Å; L551-L708 HydrophobicContact CG-CD2 4.47Å
552	A	93.9	Very high	94.8	Very high	8 Å²	8	9.7 Å²	9.7	7%	0.066	6%	0.057	C	C	.	.	H	α-helix	trans	-55.7	-52.1	-170.7	0	0	0	0	0	115.1	T548 M554 M555 S556 L603 F611	T548-A552 WeakPolarHBondContact O-CB 3.4Å; T548-A552 PolarHBondContact O-N 3.36Å; A552-M554 PolarHBondContact O-N 3.27Å; A552-M555 WeakPolarHBondContact O-CA 3.37Å; A552-M555 WeakPolarHBondContact O-CB 3.34Å; A552-M555 PolarHBondContact O-N 3.37Å; A552-S556 PolarHBondContact O-N 2.86Å; A552-S556 PolarHBondContact O-OG 3.37Å; A552-L603 HydrophobicContact CB-CD1 3.86Å; A552-F611 HydrophobicContact CB-CD2 3.92Å; A552-F611 HydrophobicContact CB-CE2 3.72Å
553	P	95.2	Very high	94.9	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.013	5%	0.051	C	C	.	.	H	α-helix	trans	-70.2	-19.6	178.5	25.1	-29.4	0	0	0	113.1	R549 E557 F611 R680 E684	R549-P553 WeakPolarHBondContact O-CD 3.36Å; P553-E557 WeakPolarHBondContact O-CB 3.44Å; P553-E557 PolarHBondContact O-N 3.29Å; P553-E557 VanDerWaalsContact O-N 3.12Å; P553-F611 HydrophobicContact CG-CE1 4.29Å; P553-F611 HydrophobicContact CG-CE2 4.48Å; P553-F611 HydrophobicContact CG-CZ 4.21Å; P553-R680 HydrophobicContact CB-CB 4.49Å; P553-E684 HydrophobicContact CG-CG 3.52Å
554	M	95.4	Very high	95.1	Very high	6 Å²	6	8 Å²	8	3%	0.03	4%	0.042	C	C	.	.	H	α-helix	trans	-68.1	-39.5	166.9	-164.6	177.1	82.7	0	0	110.7	L551 A552 E557 V558 F580 L677 F681	L551-M554 HydrophobicContact CD1-CE 3.9Å; L551-M554 WeakPolarHBondContact O-CA 3.47Å; L551-M554 VanDerWaalsContact O-CB 3.31Å; L551-M554 WeakPolarHBondContact O-CB 3.23Å; L551-M554 PolarHBondContact O-N 2.81Å; L551-M554 VanDerWaalsContact O-N 3.08Å; A552-M554 PolarHBondContact O-N 3.27Å; M554-E557 PolarHBondContact O-N 3.05Å; M554-V558 WeakPolarHBondContact O-CG2 3.37Å; M554-V558 PolarHBondContact O-N 2.8Å; M554-F580 HydrophobicContact CE-CE1 4.23Å; M554-F580 HydrophobicContact SD-CE1 4.23Å; M554-F580 HydrophobicContact SD-CZ 4.04Å; M554-L677 HydrophobicContact CG-CB 3.9Å; M554-L677 HydrophobicContact CG-CD2 3.92Å; M554-L677 HydrophobicContact CG-CG 4.47Å; M554-L677 HydrophobicContact SD-CB 4.28Å; M554-F681 HydrophobicContact SD-CB 4.48Å; M554-F681 HydrophobicContact SD-CD2 4.25Å
555	M	94.3	Very high	95.3	Very high	27 Å²	27	10.3 Å²	10.3	13%	0.133	7%	0.066	C	C	.	.	H	α-helix	trans	-69	-40.8	174.9	-60.3	-62.5	92.2	0	0	112.3	L551 A552 E557 V558 I559 L587 V588	L551-M555 HydrophobicContact CD1-CE 4.13Å; L551-M555 HydrophobicContact CG-CG 4.13Å; L551-M555 PolarHBondContact O-N 3.46Å; A552-M555 WeakPolarHBondContact O-CA 3.37Å; A552-M555 WeakPolarHBondContact O-CB 3.34Å; A552-M555 PolarHBondContact O-N 3.37Å; M555-E557 PolarHBondContact O-N 3.09Å; M555-V558 HydrophobicContact CE-CG2 4.05Å; M555-V558 WeakPolarHBondContact O-CB 3.41Å; M555-V558 PolarHBondContact O-N 3.04Å; M555-V558 VanDerWaalsContact O-N 3.15Å; M555-I559 WeakPolarHBondContact O-CG1 3.36Å; M555-I559 PolarHBondContact O-N 3.14Å; M555-L587 HydrophobicContact CE-CD2 4.23Å; M555-V588 HydrophobicContact SD-CG2 3.81Å
556	S	94.2	Very high	95.3	Very high	15 Å²	15	11.3 Å²	11.3	11%	0.105	7%	0.072	C	C	.	.	H	α-helix	trans	-57	-37.1	171.9	-58.4	0	0	0	0	112.3	A552 R560 F611 G614	A552-S556 PolarHBondContact O-N 2.86Å; A552-S556 PolarHBondContact O-OG 3.37Å; S556-R560 PolarHBondContact O-N 3.29Å; S556-F611 WeakPolarHBondContact CB-O 3.43Å; S556-F611 PolarHBondContact OG-O 2.94Å; S556-G614 PolarHBondContact O-N 3.21Å
557	E	96.3	Very high	95	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-75.7	-34.8	177	-163.6	62.8	-151	0	0	112.5	P553 M554 M555 I559 R560 I561 R676 L677 R680 F744	P553-E557 WeakPolarHBondContact O-CB 3.44Å; P553-E557 PolarHBondContact O-N 3.29Å; P553-E557 VanDerWaalsContact O-N 3.12Å; M554-E557 PolarHBondContact O-N 3.05Å; M555-E557 PolarHBondContact O-N 3.09Å; E557-I559 VanDerWaalsContact C-N 3.33Å; E557-I559 PolarHBondContact O-N 3.5Å; E557-R560 WeakPolarHBondContact O-CB 3.24Å; E557-R560 PolarHBondContact O-N 3.49Å; E557-R560 VanDerWaalsContact O-N 3.16Å; E557-R560 IonicContact OE2-NH1 2.98Å; E557-I561 HydrophobicContact CG-CD1 3.97Å; E557-I561 WeakPolarHBondContact O-CD1 3.42Å; E557-I561 WeakPolarHBondContact O-CG1 3.4Å; E557-I561 PolarHBondContact O-N 2.89Å; E557-R676 HydrophobicContact CG-CB 4.12Å; E557-R676 IonicContact OE1-CZ 2.75Å; E557-R676 VanDerWaalsContact OE1-CZ 3.27Å; E557-R676 IonicContact OE1-NE 3.51Å; E557-R676 PolarHBondContact OE1-NE 2.79Å; E557-R676 IonicContact OE1-NH2 2.74Å; E557-R676 PolarHBondContact OE1-NH2 2.76Å; E557-L677 HydrophobicContact CB-CD2 3.92Å; E557-L677 HydrophobicContact CG-CD2 4.03Å; E557-R680 IonicContact OE2-CZ 2.7Å; E557-R680 IonicContact OE2-NH1 3.87Å; E557-R680 PolarHBondContact OE2-NH1 3.06Å; E557-F744 WeakPolarHBondContact OE2-CZ 3.22Å
558	V	96.4	Very high	95	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-57.3	-45.4	170.1	164.3	0	0	0	0	111.3	M554 M555 R560 I561 L562 L571 A584 L677	M554-V558 WeakPolarHBondContact O-CG2 3.37Å; M554-V558 PolarHBondContact O-N 2.8Å; M555-V558 HydrophobicContact CE-CG2 4.05Å; M555-V558 WeakPolarHBondContact O-CB 3.41Å; M555-V558 PolarHBondContact O-N 3.04Å; M555-V558 VanDerWaalsContact O-N 3.15Å; V558-R560 VanDerWaalsContact C-N 3.3Å; V558-R560 PolarHBondContact O-N 2.93Å; V558-I561 PolarHBondContact O-N 3.46Å; V558-L562 HydrophobicContact CG1-CD1 3.96Å; V558-L562 VanDerWaalsContact O-CG 3.31Å; V558-L562 WeakPolarHBondContact O-CG 3.1Å; V558-L562 PolarHBondContact O-N 3.37Å; V558-L571 HydrophobicContact CG1-CD2 3.97Å; V558-A584 HydrophobicContact CG1-CB 4.47Å; V558-A584 HydrophobicContact CG2-CB 3.6Å; V558-L677 HydrophobicContact CG2-CD2 3.66Å
559	I	95.1	Very high	95	Very high	11 Å²	11	18.9 Å²	18.9	6%	0.056	11%	0.108	C	C	.	.	H	α-helix	trans	-59.5	-42.8	176	-61.8	165.1	0	0	0	110.2	M555 E557 Q563 N615 L618 L619	M555-I559 WeakPolarHBondContact O-CG1 3.36Å; M555-I559 PolarHBondContact O-N 3.14Å; E557-I559 VanDerWaalsContact C-N 3.33Å; E557-I559 PolarHBondContact O-N 3.5Å; I559-Q563 WeakPolarHBondContact O-CB 3.31Å; I559-Q563 VanDerWaalsContact O-CG 3.31Å; I559-Q563 WeakPolarHBondContact O-CG 2.99Å; I559-Q563 PolarHBondContact O-N 3.43Å; I559-N615 WeakPolarHBondContact CG2-O 3.31Å; I559-L618 HydrophobicContact CG2-CB 4.28Å; I559-L618 HydrophobicContact CG2-CD2 4.04Å; I559-L619 HydrophobicContact CD1-CD1 3.8Å; I559-L619 HydrophobicContact CD1-CD2 4.27Å; I559-L619 HydrophobicContact CD1-CG 4Å; I559-L619 HydrophobicContact CG1-CD2 4.47Å
560	R	95.7	Very high	95	Very high	26 Å²	26	22.2 Å²	22.2	10%	0.098	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-49.3	176.6	-176	173.7	-77	161.7	-3.2	111.9	S556 E557 V558 L562 Q563 E564 G613 Q743	S556-R560 PolarHBondContact O-N 3.29Å; E557-R560 WeakPolarHBondContact O-CB 3.24Å; E557-R560 PolarHBondContact O-N 3.49Å; E557-R560 VanDerWaalsContact O-N 3.16Å; E557-R560 IonicContact OE2-NH1 2.98Å; V558-R560 VanDerWaalsContact C-N 3.3Å; V558-R560 PolarHBondContact O-N 2.93Å; R560-L562 VanDerWaalsContact C-N 3.3Å; R560-L562 PolarHBondContact O-N 3.01Å; R560-Q563 CarbonylContact O-C 3.58Å; R560-Q563 PolarHBondContact O-N 3.49Å; R560-Q563 VanDerWaalsContact O-N 3.09Å; R560-E564 WeakPolarHBondContact CD-OE1 3.44Å; R560-E564 HydrophobicContact CG-CG 4.4Å; R560-E564 WeakPolarHBondContact CG-OE1 3.49Å; R560-E564 WeakPolarHBondContact O-CG 3.47Å; R560-E564 PolarHBondContact O-N 3.35Å; R560-G613 VanDerWaalsContact CZ-O 3.27Å; R560-G613 PolarHBondContact NE-O 3.32Å; R560-G613 VanDerWaalsContact NE-O 3.13Å; R560-G613 PolarHBondContact NH2-O 2.97Å; R560-Q743 VanDerWaalsContact CZ-OE1 3.31Å
561	I	96.6	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-37.6	-176.7	-69.8	157.1	0	0	0	111.4	E557 V558 E564 V566 L571 I673 L677	E557-I561 HydrophobicContact CG-CD1 3.97Å; E557-I561 WeakPolarHBondContact O-CD1 3.42Å; E557-I561 WeakPolarHBondContact O-CG1 3.4Å; E557-I561 PolarHBondContact O-N 2.89Å; V558-I561 PolarHBondContact O-N 3.46Å; I561-E564 PolarHBondContact O-N 3.42Å; I561-V566 HydrophobicContact CG2-CB 3.74Å; I561-V566 HydrophobicContact CG2-CG1 4.1Å; I561-V566 HydrophobicContact CG2-CG2 3.81Å; I561-V566 WeakPolarHBondContact O-CB 3.47Å; I561-V566 PolarHBondContact O-N 2.78Å; I561-L571 HydrophobicContact CG2-CD1 3.86Å; I561-L571 HydrophobicContact CG2-CD2 4.16Å; I561-I673 HydrophobicContact CD1-CG2 4.09Å; I561-I673 HydrophobicContact CG2-CG2 3.97Å; I561-L677 HydrophobicContact CD1-CD1 4.42Å; I561-L677 HydrophobicContact CD1-CD2 3.69Å; I561-L677 HydrophobicContact CD1-CG 3.9Å
562	L	95.3	Very high	95.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-66.7	-40.8	172.7	-66.8	169.8	0	0	0	111.8	V558 R560 G565 V566 P568 L571 F636 L656	V558-L562 HydrophobicContact CG1-CD1 3.96Å; V558-L562 VanDerWaalsContact O-CG 3.31Å; V558-L562 WeakPolarHBondContact O-CG 3.1Å; V558-L562 PolarHBondContact O-N 3.37Å; R560-L562 VanDerWaalsContact C-N 3.3Å; R560-L562 PolarHBondContact O-N 3.01Å; L562-G565 PolarHBondContact O-N 2.97Å; L562-G565 VanDerWaalsContact O-N 3.08Å; L562-V566 WeakPolarHBondContact CD2-O 3.43Å; L562-P568 HydrophobicContact CD2-CB 4.47Å; L562-P568 HydrophobicContact CD2-CG 4.03Å; L562-L571 HydrophobicContact CD1-CD2 4.45Å; L562-L571 HydrophobicContact CD2-CD2 3.82Å; L562-L571 HydrophobicContact CG-CD2 3.86Å; L562-F636 HydrophobicContact CD1-CD1 4.34Å; L562-F636 HydrophobicContact CD1-CE1 3.64Å; L562-F636 HydrophobicContact CD1-CE2 4.32Å; L562-F636 HydrophobicContact CD1-CZ 3.63Å; L562-L656 HydrophobicContact CB-CD2 4.19Å
563	Q	95.4	Very high	95.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.1	-28.6	175.6	-74.3	169.2	-14.1	0	0	113.3	I559 R560 G565 N615 L659 K660 L661	I559-Q563 WeakPolarHBondContact O-CB 3.31Å; I559-Q563 VanDerWaalsContact O-CG 3.31Å; I559-Q563 WeakPolarHBondContact O-CG 2.99Å; I559-Q563 PolarHBondContact O-N 3.43Å; R560-Q563 CarbonylContact O-C 3.58Å; R560-Q563 PolarHBondContact O-N 3.49Å; R560-Q563 VanDerWaalsContact O-N 3.09Å; Q563-G565 PolarHBondContact O-N 3.22Å; Q563-N615 PolarHBondContact NE2-O 2.91Å; Q563-L659 WeakPolarHBondContact CG-O 3.29Å; Q563-K660 WeakPolarHBondContact O-CA 3.33Å; Q563-K660 VanDerWaalsContact O-CG 3.32Å; Q563-K660 WeakPolarHBondContact O-CG 3.41Å; Q563-L661 HydrophobicContact CB-CB 4.45Å; Q563-L661 HydrophobicContact CB-CD1 4.1Å; Q563-L661 HydrophobicContact CB-CG 4.13Å; Q563-L661 PolarHBondContact O-N 3.42Å
564	E	95.3	Very high	95.4	Very high	14 Å²	14	24.9 Å²	24.9	7%	0.065	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-6.9	169.3	-76.4	171.2	-154.4	0	0	113	R560 I561 P663 R676 Y740	R560-E564 WeakPolarHBondContact CD-OE1 3.44Å; R560-E564 HydrophobicContact CG-CG 4.4Å; R560-E564 WeakPolarHBondContact CG-OE1 3.49Å; R560-E564 WeakPolarHBondContact O-CG 3.47Å; R560-E564 PolarHBondContact O-N 3.35Å; I561-E564 PolarHBondContact O-N 3.42Å; E564-P663 HydrophobicContact CB-CB 4.23Å; E564-P663 HydrophobicContact CG-CB 4.36Å; E564-R676 IonicContact OE1-CZ 3.26Å; E564-R676 IonicContact OE1-NH1 3.5Å; E564-R676 IonicContact OE1-NH2 3.77Å; E564-R676 PolarHBondContact OE1-NH2 3.37Å; E564-R676 IonicContact OE2-CZ 2.68Å; E564-R676 IonicContact OE2-NH1 3.45Å; E564-R676 PolarHBondContact OE2-NH1 3.47Å; E564-R676 IonicContact OE2-NH2 3.79Å; E564-R676 PolarHBondContact OE2-NH2 2.77Å; E564-Y740 PolarHBondContact OE1-OH 3.01Å; E564-Y740 PolarHBondContact OE2-OH 2.81Å
565	G	92.9	Very high	95.5	Very high	49 Å²	49	24.9 Å²	24.9	51%	0.505	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	15.5	174.9	0	0	0	0	0	114.9	L562 Q563	L562-G565 PolarHBondContact O-N 2.97Å; L562-G565 VanDerWaalsContact O-N 3.08Å; Q563-G565 PolarHBondContact O-N 3.22Å
566	V	94.8	Very high	95.7	Very high	22 Å²	22	24.6 Å²	24.6	13%	0.133	14%	0.141	C	C	.	.			trans	-76.6	127.3	169.7	-178.8	0	0	0	0	109	I561 L562 K570 L571 I673	I561-V566 HydrophobicContact CG2-CB 3.74Å; I561-V566 HydrophobicContact CG2-CG1 4.1Å; I561-V566 HydrophobicContact CG2-CG2 3.81Å; I561-V566 WeakPolarHBondContact O-CB 3.47Å; I561-V566 PolarHBondContact O-N 2.78Å; L562-V566 WeakPolarHBondContact CD2-O 3.43Å; V566-K570 HydrophobicContact CG1-CB 4.14Å; V566-K570 HydrophobicContact CG1-CD 4.14Å; V566-K570 HydrophobicContact CG1-CG 4.03Å; V566-L571 HydrophobicContact CG1-CB 4.32Å; V566-I673 HydrophobicContact CG2-CD1 3.99Å
567	D	92.2	Very high	95.8	Very high	70 Å²	70	26.2 Å²	26.2	37%	0.374	15%	0.153	S	C	.	.			trans	-73.5	152.6	-177.5	86.5	-93.9	0	0	0	112.7	K569 K570 L571	D567-K569 VanDerWaalsContact C-N 3.3Å; D567-K569 PolarHBondContact O-N 3.36Å; D567-K569 VanDerWaalsContact OD2-CA 3.29Å; D567-K569 WeakPolarHBondContact OD2-CA 3.39Å; D567-K569 WeakPolarHBondContact OD2-CB 3.47Å; D567-K569 PolarHBondContact OD2-N 2.94Å; D567-K570 PolarHBondContact O-N 3.34Å; D567-K570 VanDerWaalsContact O-N 3.15Å; D567-K570 WeakPolarHBondContact OD1-CB 3.26Å; D567-K570 PolarHBondContact OD1-N 3.5Å; D567-K570 PolarHBondContact OD2-N 3.13Å; D567-L571 PolarHBondContact O-N 2.96Å
568	P	94.6	Very high	95.8	Very high	10 Å²	10	27.5 Å²	27.5	7%	0.065	16%	0.159	C	C	.	.	H	α-helix	trans	-58.4	-33.2	-178.5	-26.8	35	0	0	0	114.9	L562 L571 D572 A585 F636 Y637 L648	L562-P568 HydrophobicContact CD2-CB 4.47Å; L562-P568 HydrophobicContact CD2-CG 4.03Å; P568-L571 PolarHBondContact O-N 2.83Å; P568-D572 VanDerWaalsContact O-CB 3.31Å; P568-D572 WeakPolarHBondContact O-CB 3.4Å; P568-D572 PolarHBondContact O-N 2.81Å; P568-A585 HydrophobicContact CB-CB 3.81Å; P568-F636 HydrophobicContact CB-CB 4.48Å; P568-F636 HydrophobicContact CG-CB 4.45Å; P568-F636 HydrophobicContact CG-CD1 4.39Å; P568-Y637 VanDerWaalsContact C-OH 3.25Å; P568-Y637 HydrophobicContact CB-CE2 4.32Å; P568-Y637 PolarHBondContact O-OH 3.19Å; P568-Y637 VanDerWaalsContact O-OH 3.11Å; P568-L648 HydrophobicContact CB-CD2 3.83Å; P568-L648 HydrophobicContact CG-CD2 3.86Å
569	K	94.8	Very high	95.8	Very high	94 Å²	94	28 Å²	28	41%	0.409	16%	0.163	S	C	.	.	H	α-helix	trans	-73.2	-38.6	177.6	-65.1	166.5	172.7	150.3	0	110.9	D567 S573 Y637 L648	D567-K569 VanDerWaalsContact C-N 3.3Å; D567-K569 PolarHBondContact O-N 3.36Å; D567-K569 VanDerWaalsContact OD2-CA 3.29Å; D567-K569 WeakPolarHBondContact OD2-CA 3.39Å; D567-K569 WeakPolarHBondContact OD2-CB 3.47Å; D567-K569 PolarHBondContact OD2-N 2.94Å; K569-S573 WeakPolarHBondContact O-CB 3.28Å; K569-S573 PolarHBondContact O-N 2.83Å; K569-Y637 HydrophobicContact CG-CE1 4.05Å; K569-Y637 PolarHBondContact N-OH 3.18Å; K569-L648 HydrophobicContact CD-CD1 3.98Å; K569-L648 HydrophobicContact CD-CG 4.18Å; K569-L648 HydrophobicContact CG-CD1 4.4Å; K569-L648 HydrophobicContact CG-CD2 4.26Å; K569-L648 HydrophobicContact CG-CG 4.34Å
570	K	96.6	Very high	95.9	Very high	73 Å²	73	28.2 Å²	28.2	32%	0.317	16%	0.164	S	C	.	.	H	α-helix	trans	-63	-45.1	171.4	179.7	170.3	177.2	-179.5	0	110.7	V566 D567 S573 L574 D670	V566-K570 HydrophobicContact CG1-CB 4.14Å; V566-K570 HydrophobicContact CG1-CD 4.14Å; V566-K570 HydrophobicContact CG1-CG 4.03Å; D567-K570 PolarHBondContact O-N 3.34Å; D567-K570 VanDerWaalsContact O-N 3.15Å; D567-K570 WeakPolarHBondContact OD1-CB 3.26Å; D567-K570 PolarHBondContact OD1-N 3.5Å; D567-K570 PolarHBondContact OD2-N 3.13Å; K570-S573 WeakPolarHBondContact O-CB 3.27Å; K570-S573 PolarHBondContact O-N 3.01Å; K570-S573 VanDerWaalsContact O-N 3.17Å; K570-L574 HydrophobicContact CG-CD1 4.08Å; K570-L574 HydrophobicContact CG-CG 4.32Å; K570-L574 WeakPolarHBondContact O-CG 3.34Å; K570-L574 PolarHBondContact O-N 3Å; K570-D670 VanDerWaalsContact CE-CG 3.45Å; K570-D670 VanDerWaalsContact CE-OD1 3.28Å; K570-D670 WeakPolarHBondContact CE-OD1 3.21Å; K570-D670 WeakPolarHBondContact CE-OD2 3.34Å; K570-D670 VanDerWaalsContact NZ-CG 3.33Å; K570-D670 IonicContact NZ-OD1 2.87Å; K570-D670 PolarHBondContact NZ-OD1 2.88Å; K570-D670 IonicContact NZ-OD2 2.81Å; K570-D670 PolarHBondContact NZ-OD2 3.24Å
571	L	97	Very high	95.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-42.9	178.8	-173.5	54.3	0	0	0	112.8	V558 I561 L562 V566 D567 P568 S573 L574 T575 A584 I673 L677	V558-L571 HydrophobicContact CG1-CD2 3.97Å; I561-L571 HydrophobicContact CG2-CD1 3.86Å; I561-L571 HydrophobicContact CG2-CD2 4.16Å; L562-L571 HydrophobicContact CD1-CD2 4.45Å; L562-L571 HydrophobicContact CD2-CD2 3.82Å; L562-L571 HydrophobicContact CG-CD2 3.86Å; V566-L571 HydrophobicContact CG1-CB 4.32Å; D567-L571 PolarHBondContact O-N 2.96Å; P568-L571 PolarHBondContact O-N 2.83Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 3.31Å; L571-L574 PolarHBondContact O-N 3.41Å; L571-T575 HydrophobicContact CD1-CG2 4.45Å; L571-T575 PolarHBondContact O-N 3.45Å; L571-T575 PolarHBondContact O-OG1 3.47Å; L571-A584 HydrophobicContact CD2-CB 4.43Å; L571-A584 HydrophobicContact CG-CB 4.16Å; L571-I673 HydrophobicContact CD1-CG2 4.14Å; L571-L677 HydrophobicContact CD1-CD1 4.22Å
572	D	96.7	Very high	95.7	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-35	172.4	-81.4	3.4	0	0	0	112	P568 T575 T576 G583 A584 A585 T586 Y637	P568-D572 VanDerWaalsContact O-CB 3.31Å; P568-D572 WeakPolarHBondContact O-CB 3.4Å; P568-D572 PolarHBondContact O-N 2.81Å; D572-T575 PolarHBondContact O-OG1 2.89Å; D572-T576 WeakPolarHBondContact O-CB 3.35Å; D572-T576 VanDerWaalsContact O-CG2 3.27Å; D572-T576 WeakPolarHBondContact O-CG2 3.36Å; D572-T576 PolarHBondContact O-N 3.41Å; D572-T576 PolarHBondContact O-OG1 3.34Å; D572-G583 VanDerWaalsContact OD1-CA 3.24Å; D572-G583 WeakPolarHBondContact OD1-CA 3.37Å; D572-A584 PolarHBondContact OD1-N 3.28Å; D572-A584 VanDerWaalsContact OD1-N 3.11Å; D572-A585 WeakPolarHBondContact OD1-CA 3.45Å; D572-A585 WeakPolarHBondContact OD1-CB 3.21Å; D572-A585 PolarHBondContact OD1-N 2.86Å; D572-T586 PolarHBondContact OD1-N 3.5Å; D572-T586 VanDerWaalsContact OD1-N 3.09Å; D572-T586 VanDerWaalsContact OD2-CB 3.25Å; D572-T586 WeakPolarHBondContact OD2-CB 3.48Å; D572-T586 PolarHBondContact OD2-N 2.89Å; D572-T586 PolarHBondContact OD2-OG1 3.24Å; D572-Y637 WeakPolarHBondContact OD2-CE2 3.46Å; D572-Y637 PolarHBondContact OD2-OH 2.9Å
573	S	96.8	Very high	95.7	Very high	69 Å²	69	34.4 Å²	34.4	48%	0.483	21%	0.207	S	C	.	.	H	α-helix	trans	-67	-47.4	175.1	-169.3	0	0	0	0	111.4	K569 K570 L571 S577	K569-S573 WeakPolarHBondContact O-CB 3.28Å; K569-S573 PolarHBondContact O-N 2.83Å; K570-S573 WeakPolarHBondContact O-CB 3.27Å; K570-S573 PolarHBondContact O-N 3.01Å; K570-S573 VanDerWaalsContact O-N 3.17Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 3.31Å; S573-S577 WeakPolarHBondContact O-CB 3.46Å; S573-S577 PolarHBondContact O-N 2.94Å; S573-S577 PolarHBondContact O-OG 3.18Å
574	L	97.9	Very high	95.7	Very high	15 Å²	15	34.5 Å²	34.5	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-45.1	178.5	-72.6	175.6	0	0	0	112.2	K570 L571 S577 F578 D670 I673 Q674	K570-L574 HydrophobicContact CG-CD1 4.08Å; K570-L574 HydrophobicContact CG-CG 4.32Å; K570-L574 WeakPolarHBondContact O-CG 3.34Å; K570-L574 PolarHBondContact O-N 3Å; L571-L574 PolarHBondContact O-N 3.41Å; L574-S577 PolarHBondContact O-OG 3.27Å; L574-S577 VanDerWaalsContact O-OG 3.11Å; L574-F578 WeakPolarHBondContact O-CB 3.36Å; L574-F578 PolarHBondContact O-N 3Å; L574-D670 HydrophobicContact CD1-CB 4.44Å; L574-D670 HydrophobicContact CD2-CB 3.75Å; L574-I673 HydrophobicContact CD1-CB 4.19Å; L574-I673 HydrophobicContact CD1-CD1 4.34Å; L574-I673 HydrophobicContact CD1-CG2 3.73Å; L574-Q674 HydrophobicContact CB-CG 4.15Å; L574-Q674 PolarHBondContact O-NE2 2.77Å
575	T	97.6	Very high	95.7	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-71.5	-42.2	179.9	46	0	0	0	0	112.4	L571 D572 S577 F578 G579 F580 G583 A584 L677	L571-T575 HydrophobicContact CD1-CG2 4.45Å; L571-T575 PolarHBondContact O-N 3.45Å; L571-T575 PolarHBondContact O-OG1 3.47Å; D572-T575 PolarHBondContact O-OG1 2.89Å; T575-S577 PolarHBondContact O-N 2.83Å; T575-F578 PolarHBondContact O-N 2.98Å; T575-G579 PolarHBondContact O-N 3.31Å; T575-G579 VanDerWaalsContact O-N 3.16Å; T575-F580 WeakPolarHBondContact O-CD2 3.36Å; T575-F580 PolarHBondContact O-N 3.18Å; T575-F580 VanDerWaalsContact O-N 3.12Å; T575-G583 WeakPolarHBondContact OG1-CA 3.35Å; T575-A584 HydrophobicContact CG2-CB 3.77Å; T575-A584 PolarHBondContact OG1-N 2.57Å; T575-A584 VanDerWaalsContact OG1-N 3.07Å; T575-L677 HydrophobicContact CG2-CD1 3.42Å; T575-L677 VanDerWaalsContact CG2-CD1 3.42Å
576	T	96.8	Very high	95.8	Very high	21 Å²	21	32.3 Å²	32.3	13%	0.129	19%	0.186	C	C	.	.	H	α-helix	trans	-74.3	-21.8	176.2	63.1	0	0	0	0	113.9	K295 D572 F580	K295-T576 WeakPolarHBondContact CD-O 3.45Å; K295-T576 VanDerWaalsContact CG-O 3.27Å; K295-T576 WeakPolarHBondContact CG-O 3.39Å; K295-T576 PolarHBondContact NZ-OG1 3.01Å; D572-T576 WeakPolarHBondContact O-CB 3.35Å; D572-T576 VanDerWaalsContact O-CG2 3.27Å; D572-T576 WeakPolarHBondContact O-CG2 3.36Å; D572-T576 PolarHBondContact O-N 3.41Å; D572-T576 PolarHBondContact O-OG1 3.34Å; T576-F580 WeakPolarHBondContact CA-O 3.39Å
577	S	96.7	Very high	95.7	Very high	50 Å²	50	33 Å²	33	35%	0.35	19%	0.189	S	C	.	.	H	α-helix	trans	-81.9	-24.5	171.6	68.3	0	0	0	0	113.1	S573 L574 T575 G579	S573-S577 WeakPolarHBondContact O-CB 3.46Å; S573-S577 PolarHBondContact O-N 2.94Å; S573-S577 PolarHBondContact O-OG 3.18Å; L574-S577 PolarHBondContact O-OG 3.27Å; L574-S577 VanDerWaalsContact O-OG 3.11Å; T575-S577 PolarHBondContact O-N 2.83Å; S577-G579 VanDerWaalsContact C-N 3.29Å
578	F	97.2	Very high	95.7	Very high	27 Å²	27	30.1 Å²	30.1	12%	0.118	17%	0.174	C	C	.	.	H	α-helix	trans	-70.3	-26.6	165.9	-168.7	-92.7	0	0	0	112.4	L574 T575 F580 Q674 F675 V678 P711 L714	L574-F578 WeakPolarHBondContact O-CB 3.36Å; L574-F578 PolarHBondContact O-N 3Å; T575-F578 PolarHBondContact O-N 2.98Å; F578-F580 HydrophobicContact CD1-CD2 4.16Å; F578-F580 AromaticContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CE1-CE2 4.41Å; F578-Q674 HydrophobicContact CB-CG 4.26Å; F578-Q674 HydrophobicContact CD2-CB 3.9Å; F578-Q674 HydrophobicContact CD2-CG 4.21Å; F578-Q674 HydrophobicContact CE2-CB 4.44Å; F578-Q674 HydrophobicContact CG-CB 4.46Å; F578-F675 HydrophobicContact CE2-CE2 4.18Å; F578-F675 HydrophobicContact CE2-CZ 4.36Å; F578-V678 HydrophobicContact CD1-CG2 3.91Å; F578-V678 HydrophobicContact CE1-CB 4.38Å; F578-V678 HydrophobicContact CE1-CG1 4.17Å; F578-V678 HydrophobicContact CE1-CG2 3.42Å; F578-V678 VanDerWaalsContact CE1-CG2 3.42Å; F578-V678 HydrophobicContact CE2-CG2 4.47Å; F578-V678 HydrophobicContact CZ-CB 4.36Å; F578-V678 HydrophobicContact CZ-CG1 4.11Å; F578-V678 HydrophobicContact CZ-CG2 3.74Å; F578-P711 HydrophobicContact CD1-CG 3.9Å; F578-P711 HydrophobicContact CE1-CG 4.1Å; F578-L714 HydrophobicContact CD1-CD1 4.43Å; F578-L714 HydrophobicContact CE1-CD1 3.48Å; F578-L714 VanDerWaalsContact CE1-CD1 3.48Å; F578-L714 HydrophobicContact CZ-CD1 3.81Å
579	G	96.6	Very high	95.6	Very high	10 Å²	10	29.7 Å²	29.7	10%	0.103	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	125.2	7.2	169	0	0	0	0	0	116.1	T575 S577	T575-G579 PolarHBondContact O-N 3.31Å; T575-G579 VanDerWaalsContact O-N 3.16Å; S577-G579 VanDerWaalsContact C-N 3.29Å
580	F	96.7	Very high	95.2	Very high	16 Å²	16	28.8 Å²	28.8	7%	0.07	17%	0.168	C	C	.	.			trans	-65.3	135.8	171.5	-72.4	-89.8	0	0	0	110.1	M554 T575 T576 F578 V582 V678 G709 P711	M554-F580 HydrophobicContact CE-CE1 4.23Å; M554-F580 HydrophobicContact SD-CE1 4.23Å; M554-F580 HydrophobicContact SD-CZ 4.04Å; T575-F580 WeakPolarHBondContact O-CD2 3.36Å; T575-F580 PolarHBondContact O-N 3.18Å; T575-F580 VanDerWaalsContact O-N 3.12Å; T576-F580 WeakPolarHBondContact CA-O 3.39Å; F578-F580 HydrophobicContact CD1-CD2 4.16Å; F578-F580 AromaticContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CE1-CE2 4.41Å; F580-V582 WeakPolarHBondContact CB-O 3.39Å; F580-V582 PolarHBondContact O-N 3.4Å; F580-V678 HydrophobicContact CE2-CG2 3.91Å; F580-V678 HydrophobicContact CZ-CG2 4.16Å; F580-G709 WeakPolarHBondContact CD1-O 3.39Å; F580-P711 HydrophobicContact CD2-CG 4.07Å; F580-P711 HydrophobicContact CE2-CG 4.12Å; F580-P711 HydrophobicContact CG-CG 4.31Å; F580-P711 HydrophobicContact CZ-CG 4.41Å
581	P	94.1	Very high	94.7	Very high	95 Å²	95	29 Å²	29	62%	0.617	18%	0.175	S	C	*	.	S	Bend	trans	-64.1	-21.5	179.3	-24	34.1	0	0	0	114.4	G709	P581-G709 WeakPolarHBondContact CD-O 3.38Å
582	V	93.1	Very high	94.3	Very high	61 Å²	61	29 Å²	29	37%	0.37	18%	0.176	S	C	.	.	S	Bend	trans	-132	140.4	-176.7	-173.4	0	0	0	0	107.7	F580 T586 L587	F580-V582 WeakPolarHBondContact CB-O 3.39Å; F580-V582 PolarHBondContact O-N 3.4Å; V582-T586 HydrophobicContact CG1-CG2 3.5Å; V582-L587 HydrophobicContact CG1-CB 4.12Å; V582-L587 HydrophobicContact CG1-CD1 4.32Å
583	G	95.4	Very high	94	Very high	4 Å²	4	28.2 Å²	28.2	4%	0.041	17%	0.171	C	C	.	.			trans	-72.7	146.2	175	0	0	0	0	0	111.5	D572 T575 A585 T586 L587	D572-G583 VanDerWaalsContact OD1-CA 3.24Å; D572-G583 WeakPolarHBondContact OD1-CA 3.37Å; T575-G583 WeakPolarHBondContact OG1-CA 3.35Å; G583-A585 PolarHBondContact O-N 3.37Å; G583-T586 CarbonylContact O-C 3.45Å; G583-T586 WeakPolarHBondContact O-CB 3.05Å; G583-T586 PolarHBondContact O-N 3.17Å; G583-L587 WeakPolarHBondContact O-CB 3.39Å; G583-L587 PolarHBondContact O-N 2.94Å
584	A	95.8	Very high	93.6	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-40.6	-173.2	0	0	0	0	0	115.5	V558 L571 D572 T575 L587	V558-A584 HydrophobicContact CG1-CB 4.47Å; V558-A584 HydrophobicContact CG2-CB 3.6Å; L571-A584 HydrophobicContact CD2-CB 4.43Å; L571-A584 HydrophobicContact CG-CB 4.16Å; D572-A584 PolarHBondContact OD1-N 3.28Å; D572-A584 VanDerWaalsContact OD1-N 3.11Å; T575-A584 HydrophobicContact CG2-CB 3.77Å; T575-A584 PolarHBondContact OG1-N 2.57Å; T575-A584 VanDerWaalsContact OG1-N 3.07Å; A584-L587 PolarHBondContact O-N 3.37Å
585	A	95.1	Very high	93	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-74.9	-38.8	177.2	0	0	0	0	0	110.8	P568 D572 G583 L587 V588 D589 F636 Y637	P568-A585 HydrophobicContact CB-CB 3.81Å; D572-A585 WeakPolarHBondContact OD1-CA 3.45Å; D572-A585 WeakPolarHBondContact OD1-CB 3.21Å; D572-A585 PolarHBondContact OD1-N 2.86Å; G583-A585 PolarHBondContact O-N 3.37Å; A585-L587 VanDerWaalsContact C-N 3.26Å; A585-L587 PolarHBondContact O-N 2.8Å; A585-V588 PolarHBondContact O-N 3.01Å; A585-D589 PolarHBondContact O-N 3.21Å; A585-F636 HydrophobicContact CB-CD2 4.33Å; A585-F636 HydrophobicContact CB-CG 4.43Å; A585-Y637 HydrophobicContact CB-CE2 4.44Å
586	T	94.6	Very high	92.6	Very high	16 Å²	16	29.5 Å²	29.5	10%	0.098	18%	0.177	C	C	.	.	H	α-helix	trans	-57.2	-38.9	168.2	-80.2	0	0	0	0	111.8	D572 V582 G583 V588 D589 E590 Y637 K646	D572-T586 PolarHBondContact OD1-N 3.5Å; D572-T586 VanDerWaalsContact OD1-N 3.09Å; D572-T586 VanDerWaalsContact OD2-CB 3.25Å; D572-T586 WeakPolarHBondContact OD2-CB 3.48Å; D572-T586 PolarHBondContact OD2-N 2.89Å; D572-T586 PolarHBondContact OD2-OG1 3.24Å; V582-T586 HydrophobicContact CG1-CG2 3.5Å; G583-T586 CarbonylContact O-C 3.45Å; G583-T586 WeakPolarHBondContact O-CB 3.05Å; G583-T586 PolarHBondContact O-N 3.17Å; T586-V588 VanDerWaalsContact C-N 3.35Å; T586-V588 PolarHBondContact O-N 2.97Å; T586-D589 WeakPolarHBondContact O-CB 3.36Å; T586-D589 PolarHBondContact O-N 3.26Å; T586-E590 HydrophobicContact CG2-CG 3.64Å; T586-E590 WeakPolarHBondContact O-CG 3.46Å; T586-E590 PolarHBondContact O-N 2.77Å; T586-Y637 WeakPolarHBondContact OG1-CE2 3.47Å; T586-K646 PolarHBondContact OG1-NZ 2.98Å
587	L	93	Very high	92.3	Very high	38 Å²	38	30.3 Å²	30.3	20%	0.199	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-41.9	-175.3	-177.5	61.5	0	0	0	111.7	L551 M555 V582 G583 A584 A585 D589 E590 V591	L551-L587 HydrophobicContact CD1-CD2 4.31Å; M555-L587 HydrophobicContact CE-CD2 4.23Å; V582-L587 HydrophobicContact CG1-CB 4.12Å; V582-L587 HydrophobicContact CG1-CD1 4.32Å; G583-L587 WeakPolarHBondContact O-CB 3.39Å; G583-L587 PolarHBondContact O-N 2.94Å; A584-L587 PolarHBondContact O-N 3.37Å; A585-L587 VanDerWaalsContact C-N 3.26Å; A585-L587 PolarHBondContact O-N 2.8Å; L587-D589 VanDerWaalsContact C-N 3.35Å; L587-D589 PolarHBondContact O-N 3.05Å; L587-E590 PolarHBondContact O-N 3.19Å; L587-V591 HydrophobicContact CD1-CG2 4.23Å; L587-V591 WeakPolarHBondContact O-CB 3.35Å; L587-V591 WeakPolarHBondContact O-CG2 3.36Å; L587-V591 PolarHBondContact O-N 2.89Å
588	V	92.4	Very high	91.8	Very high	9 Å²	9	33.1 Å²	33.1	6%	0.055	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-42.7	175.1	-177.3	0	0	0	0	111	M555 A585 T586 E590 G592 V593 A596 F636	M555-V588 HydrophobicContact SD-CG2 3.81Å; A585-V588 PolarHBondContact O-N 3.01Å; T586-V588 VanDerWaalsContact C-N 3.35Å; T586-V588 PolarHBondContact O-N 2.97Å; V588-E590 PolarHBondContact O-N 3.31Å; V588-G592 CarbonylContact O-C 3.22Å; V588-G592 PolarHBondContact O-N 2.93Å; V588-V593 HydrophobicContact CG1-CG2 4.26Å; V588-A596 HydrophobicContact CG1-CB 3.96Å; V588-F636 HydrophobicContact CB-CE2 4.04Å; V588-F636 HydrophobicContact CG1-CE2 4.03Å
589	D	92.5	Very high	91.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-36.5	176.2	-78.8	-4.5	0	0	0	113.4	A585 T586 L587 G629 R630 G635 F636 Y637 Y639	A585-D589 PolarHBondContact O-N 3.21Å; T586-D589 WeakPolarHBondContact O-CB 3.36Å; T586-D589 PolarHBondContact O-N 3.26Å; L587-D589 VanDerWaalsContact C-N 3.35Å; L587-D589 PolarHBondContact O-N 3.05Å; D589-G629 WeakPolarHBondContact O-CA 3.33Å; D589-R630 WeakPolarHBondContact O-CB 3.19Å; D589-R630 PolarHBondContact O-N 3.11Å; D589-G635 VanDerWaalsContact OD1-CA 3.29Å; D589-G635 WeakPolarHBondContact OD1-CA 3.43Å; D589-F636 WeakPolarHBondContact OD1-CD2 3.39Å; D589-F636 PolarHBondContact OD1-N 3.44Å; D589-F636 PolarHBondContact OD2-N 2.58Å; D589-Y637 WeakPolarHBondContact OD2-CD2 3.27Å; D589-Y637 PolarHBondContact OD2-N 2.98Å; D589-Y639 HydrophobicContact CB-CE2 3.96Å; D589-Y639 WeakPolarHBondContact CB-OH 3.48Å; D589-Y639 WeakPolarHBondContact OD2-CE2 3.5Å; D589-Y639 PolarHBondContact OD2-OH 3.13Å
590	E	86.9	Confident	90.9	Very high	74 Å²	74	33.9 Å²	33.9	35%	0.346	19%	0.194	S	C	.	.	H	α-helix	trans	-79.3	-29.1	-177.2	-60.8	-84.8	168.7	0	0	112	T586 L587 V588 R630 K646	T586-E590 HydrophobicContact CG2-CG 3.64Å; T586-E590 WeakPolarHBondContact O-CG 3.46Å; T586-E590 PolarHBondContact O-N 2.77Å; L587-E590 PolarHBondContact O-N 3.19Å; V588-E590 PolarHBondContact O-N 3.31Å; E590-R630 IonicContact OE1-NH1 2.88Å; E590-R630 WeakPolarHBondContact OE2-CD 3.32Å; E590-R630 IonicContact OE2-CZ 2.58Å; E590-R630 IonicContact OE2-NE 3.95Å; E590-R630 IonicContact OE2-NH1 2.75Å; E590-R630 PolarHBondContact OE2-NH1 2.9Å; E590-K646 IonicContact OE1-NZ 3.26Å; E590-K646 PolarHBondContact OE1-NZ 3.03Å
591	V	85.3	Confident	90.4	Very high	78 Å²	78	36.5 Å²	36.5	47%	0.473	21%	0.207	S	C	.	.	H	α-helix	trans	-77.2	-43.8	171.7	170.2	0	0	0	0	111.4	L587 V595	L587-V591 HydrophobicContact CD1-CG2 4.23Å; L587-V591 WeakPolarHBondContact O-CB 3.35Å; L587-V591 WeakPolarHBondContact O-CG2 3.36Å; L587-V591 PolarHBondContact O-N 2.89Å; V591-V595 HydrophobicContact CG1-CB 4.27Å; V591-V595 HydrophobicContact CG1-CG1 4.14Å
592	G	88.7	Confident	90	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.01	19%	0.192	C	C	.	.			trans	117.3	126.2	-174.6	0	0	0	0	0	111.5	V588 D594 V595 A596 L628	V588-G592 CarbonylContact O-C 3.22Å; V588-G592 PolarHBondContact O-N 2.93Å; G592-D594 VanDerWaalsContact C-N 3.32Å; G592-D594 PolarHBondContact O-N 3.11Å; G592-V595 PolarHBondContact O-N 3.35Å; G592-A596 PolarHBondContact O-N 3.1Å; G592-L628 WeakPolarHBondContact CA-O 3.19Å
593	V	91.8	Very high	89.8	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.7	-31.8	-172.4	-174.4	0	0	0	0	112.1	V588 K597 L619 M622 V623 F627 L628	V588-V593 HydrophobicContact CG1-CG2 4.26Å; V593-K597 WeakPolarHBondContact O-CB 3.32Å; V593-K597 PolarHBondContact O-N 3.06Å; V593-L619 HydrophobicContact CG1-CB 4.44Å; V593-L619 HydrophobicContact CG1-CD2 3.91Å; V593-M622 HydrophobicContact CG1-CB 3.74Å; V593-M622 HydrophobicContact CG1-CE 3.91Å; V593-M622 HydrophobicContact CG1-CG 4.42Å; V593-M622 HydrophobicContact CG1-SD 3.85Å; V593-M622 HydrophobicContact CG2-CE 3.83Å; V593-V623 HydrophobicContact CG1-CG2 4.29Å; V593-F627 WeakPolarHBondContact CB-O 3.41Å; V593-F627 WeakPolarHBondContact CG2-O 3.29Å; V593-L628 PolarHBondContact N-O 3.13Å
594	D	88.1	Confident	89.5	Confident	36 Å²	36	33 Å²	33	19%	0.193	19%	0.186	C	C	.	.	H	α-helix	trans	-68.9	-41.6	171.8	57.4	-22.6	0	0	0	112.7	G592 A596 K597 H598 V623 L628 K631	G592-D594 VanDerWaalsContact C-N 3.32Å; G592-D594 PolarHBondContact O-N 3.11Å; D594-A596 VanDerWaalsContact C-N 3.35Å; D594-K597 WeakPolarHBondContact O-CB 3.43Å; D594-K597 PolarHBondContact O-N 3.4Å; D594-H598 PolarHBondContact O-CD2 3.49Å; D594-H598 PolarHBondContact O-N 2.95Å; D594-V623 HydrophobicContact CB-CG2 3.92Å; D594-L628 HydrophobicContact CB-CD2 4.3Å; D594-K631 VanDerWaalsContact OD1-CE 3.27Å; D594-K631 WeakPolarHBondContact OD1-CE 3.37Å; D594-K631 IonicContact OD1-NZ 2.78Å; D594-K631 PolarHBondContact OD1-NZ 2.97Å; D594-K631 WeakPolarHBondContact OD2-CE 3.31Å; D594-K631 IonicContact OD2-NZ 3.2Å; D594-K631 PolarHBondContact OD2-NZ 2.87Å
595	V	85.2	Confident	89.2	Confident	60 Å²	60	40 Å²	40	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-63.8	-43.7	174.1	-177.8	0	0	0	0	110.1	V591 G592 K597 H598 V599	V591-V595 HydrophobicContact CG1-CB 4.27Å; V591-V595 HydrophobicContact CG1-CG1 4.14Å; G592-V595 PolarHBondContact O-N 3.35Å; V595-K597 VanDerWaalsContact C-N 3.29Å; V595-K597 PolarHBondContact O-N 2.83Å; V595-H598 PolarHBondContact O-N 2.87Å; V595-V599 WeakPolarHBondContact O-CG2 3.46Å; V595-V599 PolarHBondContact O-N 3.22Å
596	A	89.1	Confident	88.9	Confident	19 Å²	19	43.9 Å²	43.9	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-38.1	173.4	0	0	0	0	0	112.1	V588 G592 D594 A600 L619	V588-A596 HydrophobicContact CG1-CB 3.96Å; G592-A596 PolarHBondContact O-N 3.1Å; D594-A596 VanDerWaalsContact C-N 3.35Å; A596-A600 WeakPolarHBondContact O-CB 3.13Å; A596-A600 PolarHBondContact O-N 3.19Å; A596-L619 HydrophobicContact CB-CD1 4.41Å
597	K	90.8	Very high	88.8	Confident	38 Å²	38	45 Å²	45	17%	0.165	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-54.9	173.9	179	174.3	170.8	161.8	0	111.6	V593 D594 V595 V599 A600 E601 L619 T620	V593-K597 WeakPolarHBondContact O-CB 3.32Å; V593-K597 PolarHBondContact O-N 3.06Å; D594-K597 WeakPolarHBondContact O-CB 3.43Å; D594-K597 PolarHBondContact O-N 3.4Å; V595-K597 VanDerWaalsContact C-N 3.29Å; V595-K597 PolarHBondContact O-N 2.83Å; K597-V599 PolarHBondContact O-N 3.46Å; K597-A600 PolarHBondContact O-N 3.02Å; K597-A600 VanDerWaalsContact O-N 3.16Å; K597-E601 WeakPolarHBondContact CE-OE1 3.38Å; K597-E601 VanDerWaalsContact CE-OE2 3.29Å; K597-E601 WeakPolarHBondContact CE-OE2 3.38Å; K597-E601 HydrophobicContact CG-CG 4.33Å; K597-E601 IonicContact NZ-OE1 2.69Å; K597-E601 PolarHBondContact NZ-OE1 2.87Å; K597-E601 PolarHBondContact O-N 3.43Å; K597-L619 HydrophobicContact CB-CB 3.98Å; K597-L619 HydrophobicContact CB-CD1 4.2Å; K597-L619 HydrophobicContact CG-CB 4.38Å; K597-T620 PolarHBondContact NZ-OG1 2.76Å
598	H	86.5	Confident	88.6	Confident	109 Å²	109	45 Å²	45	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-57.5	-48.2	-177.9	-72.6	-62.8	0	0	0	111.8	D594 V595 A600 E601 D602	D594-H598 PolarHBondContact O-CD2 3.49Å; D594-H598 PolarHBondContact O-N 2.95Å; V595-H598 PolarHBondContact O-N 2.87Å; H598-A600 VanDerWaalsContact C-N 3.33Å; H598-A600 PolarHBondContact O-N 2.89Å; H598-E601 PolarHBondContact O-N 3.48Å; H598-D602 WeakPolarHBondContact O-CB 3.06Å; H598-D602 PolarHBondContact O-N 3.45Å
599	V	86.1	Confident	88.3	Confident	26 Å²	26	50.4 Å²	50.4	16%	0.158	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-40.2	177.1	173.9	0	0	0	0	112	A478 T548 V595 K597 L603	A478-V599 HydrophobicContact CB-CG2 4.41Å; T548-V599 HydrophobicContact CG2-CG1 3.5Å; T548-V599 VanDerWaalsContact CG2-CG1 3.5Å; T548-V599 HydrophobicContact CG2-CG2 4.29Å; V595-V599 WeakPolarHBondContact O-CG2 3.46Å; V595-V599 PolarHBondContact O-N 3.22Å; K597-V599 PolarHBondContact O-N 3.46Å; V599-L603 HydrophobicContact CG1-CD1 3.83Å; V599-L603 HydrophobicContact CG1-CG 4.31Å; V599-L603 WeakPolarHBondContact O-CB 3.27Å; V599-L603 WeakPolarHBondContact O-CG 3.45Å; V599-L603 PolarHBondContact O-N 3.01Å
600	A	87.6	Confident	88.2	Confident	28 Å²	28	53.4 Å²	53.4	23%	0.231	29%	0.288	C	S	.	.	H	α-helix	trans	-69.5	-36.4	177.8	0	0	0	0	0	112.8	A596 K597 H598 G604	A596-A600 WeakPolarHBondContact O-CB 3.13Å; A596-A600 PolarHBondContact O-N 3.19Å; K597-A600 PolarHBondContact O-N 3.02Å; K597-A600 VanDerWaalsContact O-N 3.16Å; H598-A600 VanDerWaalsContact C-N 3.33Å; H598-A600 PolarHBondContact O-N 2.89Å; A600-G604 VanDerWaalsContact O-CA 3.28Å; A600-G604 WeakPolarHBondContact O-CA 3.5Å; A600-G604 PolarHBondContact O-N 3.38Å
601	E	86.8	Confident	88.4	Confident	70 Å²	70	50.1 Å²	50.1	33%	0.327	27%	0.273	S	S	.	.	H	α-helix	trans	-69.6	-46.6	174.6	-73.7	-177.2	150.8	0	0	111.5	K597 H598 G604 K605	K597-E601 WeakPolarHBondContact CE-OE1 3.38Å; K597-E601 VanDerWaalsContact CE-OE2 3.29Å; K597-E601 WeakPolarHBondContact CE-OE2 3.38Å; K597-E601 HydrophobicContact CG-CG 4.33Å; K597-E601 IonicContact NZ-OE1 2.69Å; K597-E601 PolarHBondContact NZ-OE1 2.87Å; K597-E601 PolarHBondContact O-N 3.43Å; H598-E601 PolarHBondContact O-N 3.48Å; E601-G604 PolarHBondContact O-N 2.7Å; E601-K605 WeakPolarHBondContact O-CD 3.42Å; E601-K605 VanDerWaalsContact O-CE 3.3Å; E601-K605 WeakPolarHBondContact O-CE 3.37Å; E601-K605 WeakPolarHBondContact O-CG 3.39Å; E601-K605 PolarHBondContact O-N 2.89Å
602	D	86	Confident	88.6	Confident	58 Å²	58	47.7 Å²	47.7	31%	0.31	26%	0.263	S	S	.	.	H	α-helix	trans	-74	-46.7	-174.1	-66.5	-29.2	0	0	0	112.5	H598 G604 K605 V606	H598-D602 WeakPolarHBondContact O-CB 3.06Å; H598-D602 PolarHBondContact O-N 3.45Å; D602-G604 VanDerWaalsContact C-N 3.26Å; D602-G604 PolarHBondContact O-N 2.96Å; D602-K605 PolarHBondContact O-N 3.36Å; D602-K605 IonicContact OD1-NZ 3.83Å; D602-K605 PolarHBondContact OD1-NZ 2.84Å; D602-V606 WeakPolarHBondContact O-CG2 3.48Å; D602-V606 PolarHBondContact O-N 3.27Å
603	L	88.6	Confident	88.5	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-71.6	-24.4	172.9	-57	-174.9	0	0	0	111.9	P543 T548 A552 V599 V606 F607 F611	P543-L603 HydrophobicContact CB-CD2 4.04Å; T548-L603 HydrophobicContact CG2-CD1 4.11Å; A552-L603 HydrophobicContact CB-CD1 3.86Å; V599-L603 HydrophobicContact CG1-CD1 3.83Å; V599-L603 HydrophobicContact CG1-CG 4.31Å; V599-L603 WeakPolarHBondContact O-CB 3.27Å; V599-L603 WeakPolarHBondContact O-CG 3.45Å; V599-L603 PolarHBondContact O-N 3.01Å; L603-V606 PolarHBondContact O-N 3.09Å; L603-F607 HydrophobicContact CB-CD2 4.26Å; L603-F607 HydrophobicContact CD2-CE2 4.31Å; L603-F607 WeakPolarHBondContact O-CD2 3.34Å; L603-F607 PolarHBondContact O-N 2.94Å; L603-F611 HydrophobicContact CB-CD2 3.96Å; L603-F611 HydrophobicContact CB-CE2 4.13Å; L603-F611 HydrophobicContact CD1-CE2 4.34Å
604	G	88.4	Confident	88.4	Confident	27 Å²	27	48.8 Å²	48.8	28%	0.278	27%	0.274	S	S	.	.	H	α-helix	trans	-66	-41.6	171.5	0	0	0	0	0	113.1	A600 E601 D602 V606 G608	A600-G604 VanDerWaalsContact O-CA 3.28Å; A600-G604 WeakPolarHBondContact O-CA 3.5Å; A600-G604 PolarHBondContact O-N 3.38Å; E601-G604 PolarHBondContact O-N 2.7Å; D602-G604 VanDerWaalsContact C-N 3.26Å; D602-G604 PolarHBondContact O-N 2.96Å; G604-V606 VanDerWaalsContact C-N 3.31Å; G604-V606 PolarHBondContact O-N 2.95Å; G604-G608 VanDerWaalsContact O-CA 3.32Å; G604-G608 WeakPolarHBondContact O-CA 3.47Å; G604-G608 PolarHBondContact O-N 2.8Å
605	K	89.2	Confident	88.6	Confident	148 Å²	148	50.7 Å²	50.7	64%	0.643	29%	0.285	S	S	*	.	H	α-helix	trans	-61.2	-39.3	173	-68.1	155.2	-155.1	165.4	0	111.8	E601 D602	E601-K605 WeakPolarHBondContact O-CD 3.42Å; E601-K605 VanDerWaalsContact O-CE 3.3Å; E601-K605 WeakPolarHBondContact O-CE 3.37Å; E601-K605 WeakPolarHBondContact O-CG 3.39Å; E601-K605 PolarHBondContact O-N 2.89Å; D602-K605 PolarHBondContact O-N 3.36Å; D602-K605 IonicContact OD1-NZ 3.83Å; D602-K605 PolarHBondContact OD1-NZ 2.84Å
606	V	90	Very high	88.8	Confident	83 Å²	83	50.8 Å²	50.8	50%	0.503	29%	0.287	S	S	.	.	H	α-helix	trans	-77.2	-49.5	-176.6	172.6	0	0	0	0	112.8	P543 D602 L603 G604	P543-V606 HydrophobicContact CB-CB 4.48Å; P543-V606 HydrophobicContact CB-CG1 3.87Å; P543-V606 HydrophobicContact CB-CG2 4.3Å; P543-V606 HydrophobicContact CG-CG1 3.86Å; P543-V606 HydrophobicContact CG-CG2 4.49Å; D602-V606 WeakPolarHBondContact O-CG2 3.48Å; D602-V606 PolarHBondContact O-N 3.27Å; L603-V606 PolarHBondContact O-N 3.09Å; G604-V606 VanDerWaalsContact C-N 3.31Å; G604-V606 PolarHBondContact O-N 2.95Å
607	F	90.9	Very high	89	Confident	40 Å²	40	53.2 Å²	53.2	18%	0.175	30%	0.295	C	S	.	.	H	α-helix	trans	-100.8	-7.8	-171.6	-63.6	-67.5	0	0	0	114.3	P543 R549 L603 E609 R610 F611	P543-F607 HydrophobicContact CB-CE2 4.15Å; P543-F607 HydrophobicContact CB-CZ 4.24Å; R549-F607 HydrophobicContact CG-CE2 4.21Å; R549-F607 HydrophobicContact CG-CZ 4.35Å; L603-F607 HydrophobicContact CB-CD2 4.26Å; L603-F607 HydrophobicContact CD2-CE2 4.31Å; L603-F607 WeakPolarHBondContact O-CD2 3.34Å; L603-F607 PolarHBondContact O-N 2.94Å; F607-E609 PolarHBondContact O-N 2.7Å; F607-R610 WeakPolarHBondContact O-CB 3.44Å; F607-R610 PolarHBondContact O-N 2.91Å; F607-F611 HydrophobicContact CB-CB 4.05Å; F607-F611 HydrophobicContact CB-CD1 3.39Å; F607-F611 HydrophobicContact CB-CD2 4.17Å; F607-F611 HydrophobicContact CB-CE1 3.85Å; F607-F611 HydrophobicContact CB-CG 3.6Å; F607-F611 HydrophobicContact CB-CZ 4.41Å; F607-F611 HydrophobicContact CD1-CE1 4.44Å; F607-F611 HydrophobicContact CD2-CD1 4.15Å; F607-F611 AromaticContact CD2-CD2 3.87Å; F607-F611 HydrophobicContact CD2-CD2 3.87Å; F607-F611 AromaticContact CD2-CE1 3.9Å; F607-F611 HydrophobicContact CD2-CE1 3.9Å; F607-F611 AromaticContact CD2-CE2 3.58Å; F607-F611 HydrophobicContact CD2-CE2 3.58Å; F607-F611 HydrophobicContact CD2-CG 4.17Å; F607-F611 AromaticContact CD2-CZ 3.63Å; F607-F611 HydrophobicContact CD2-CZ 3.63Å; F607-F611 HydrophobicContact CE2-CE2 4.1Å; F607-F611 HydrophobicContact CE2-CZ 4.03Å; F607-F611 AromaticContact CG-CD1 3.9Å; F607-F611 HydrophobicContact CG-CD1 3.9Å; F607-F611 HydrophobicContact CG-CD2 4.39Å; F607-F611 AromaticContact CG-CE1 3.82Å; F607-F611 HydrophobicContact CG-CE1 3.82Å; F607-F611 HydrophobicContact CG-CE2 4.29Å; F607-F611 HydrophobicContact CG-CG 4.22Å; F607-F611 HydrophobicContact CG-CZ 4.04Å
608	G	89.5	Confident	89.2	Confident	37 Å²	37	51.4 Å²	51.4	38%	0.381	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	56.3	-133.5	170.3	0	0	0	0	0	114.3	G604 R610 F611 G612	G604-G608 VanDerWaalsContact O-CA 3.32Å; G604-G608 WeakPolarHBondContact O-CA 3.47Å; G604-G608 PolarHBondContact O-N 2.8Å; G608-R610 PolarHBondContact O-N 3.43Å; G608-R610 VanDerWaalsContact O-N 3.08Å; G608-F611 PolarHBondContact O-N 3.43Å; G608-G612 PolarHBondContact O-N 2.96Å
609	E	86.3	Confident	89.5	Confident	123 Å²	123	46.4 Å²	46.4	58%	0.575	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-49.3	-39.6	-175.2	-66.7	-174.4	144.8	0	0	113.5	F607 F611 G612 K742 Q743	F607-E609 PolarHBondContact O-N 2.7Å; E609-F611 VanDerWaalsContact C-N 3.25Å; E609-F611 PolarHBondContact O-N 3.36Å; E609-G612 PolarHBondContact O-N 3.25Å; E609-G612 VanDerWaalsContact O-N 3.15Å; E609-K742 IonicContact OE1-NZ 2.81Å; E609-K742 WeakPolarHBondContact OE2-CD 3.36Å; E609-K742 WeakPolarHBondContact OE2-CE 3.38Å; E609-K742 IonicContact OE2-NZ 3.66Å; E609-K742 PolarHBondContact OE2-NZ 3.19Å; E609-Q743 WeakPolarHBondContact O-CG 3.49Å; E609-Q743 PolarHBondContact O-NE2 3.46Å
610	R	89.9	Confident	89.9	Confident	63 Å²	63	46.9 Å²	46.9	24%	0.238	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-56.5	-36	-179.2	-177.9	-175.1	166.2	167.9	-3.4	112.6	F607 G608 R680 E684 M687 E691	F607-R610 WeakPolarHBondContact O-CB 3.44Å; F607-R610 PolarHBondContact O-N 2.91Å; G608-R610 PolarHBondContact O-N 3.43Å; G608-R610 VanDerWaalsContact O-N 3.08Å; R610-R680 PolarHBondContact O-NH2 3.32Å; R610-E684 IonicContact CZ-OE1 2.65Å; R610-E684 IonicContact CZ-OE2 2.68Å; R610-E684 IonicContact NE-OE1 3.72Å; R610-E684 PolarHBondContact NE-OE1 2.9Å; R610-E684 IonicContact NE-OE2 2.69Å; R610-E684 IonicContact NH2-OE1 2.67Å; R610-E684 PolarHBondContact NH2-OE1 3.29Å; R610-E684 IonicContact NH2-OE2 3.93Å; R610-E684 PolarHBondContact NH2-OE2 3.03Å; R610-M687 VanDerWaalsContact NH2-CG 3.34Å; R610-E691 IonicContact NH1-OE1 2.76Å; R610-E691 PolarHBondContact NH1-OE1 3.39Å; R610-E691 IonicContact NH2-OE1 3.79Å
611	F	92.6	Very high	90.2	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.026	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-98.3	-6.2	-177.3	-86.7	45.4	0	0	0	112.9	R549 A552 P553 S556 L603 F607 G608 E609 E684	R549-F611 HydrophobicContact CG-CE2 4.31Å; R549-F611 HydrophobicContact CG-CZ 3.76Å; A552-F611 HydrophobicContact CB-CD2 3.92Å; A552-F611 HydrophobicContact CB-CE2 3.72Å; P553-F611 HydrophobicContact CG-CE1 4.29Å; P553-F611 HydrophobicContact CG-CE2 4.48Å; P553-F611 HydrophobicContact CG-CZ 4.21Å; S556-F611 WeakPolarHBondContact CB-O 3.43Å; S556-F611 PolarHBondContact OG-O 2.94Å; L603-F611 HydrophobicContact CB-CD2 3.96Å; L603-F611 HydrophobicContact CB-CE2 4.13Å; L603-F611 HydrophobicContact CD1-CE2 4.34Å; F607-F611 HydrophobicContact CB-CB 4.05Å; F607-F611 HydrophobicContact CB-CD1 3.39Å; F607-F611 HydrophobicContact CB-CD2 4.17Å; F607-F611 HydrophobicContact CB-CE1 3.85Å; F607-F611 HydrophobicContact CB-CG 3.6Å; F607-F611 HydrophobicContact CB-CZ 4.41Å; F607-F611 HydrophobicContact CD1-CE1 4.44Å; F607-F611 HydrophobicContact CD2-CD1 4.15Å; F607-F611 AromaticContact CD2-CD2 3.87Å; F607-F611 HydrophobicContact CD2-CD2 3.87Å; F607-F611 AromaticContact CD2-CE1 3.9Å; F607-F611 HydrophobicContact CD2-CE1 3.9Å; F607-F611 AromaticContact CD2-CE2 3.58Å; F607-F611 HydrophobicContact CD2-CE2 3.58Å; F607-F611 HydrophobicContact CD2-CG 4.17Å; F607-F611 AromaticContact CD2-CZ 3.63Å; F607-F611 HydrophobicContact CD2-CZ 3.63Å; F607-F611 HydrophobicContact CE2-CE2 4.1Å; F607-F611 HydrophobicContact CE2-CZ 4.03Å; F607-F611 AromaticContact CG-CD1 3.9Å; F607-F611 HydrophobicContact CG-CD1 3.9Å; F607-F611 HydrophobicContact CG-CD2 4.39Å; F607-F611 AromaticContact CG-CE1 3.82Å; F607-F611 HydrophobicContact CG-CE1 3.82Å; F607-F611 HydrophobicContact CG-CE2 4.29Å; F607-F611 HydrophobicContact CG-CG 4.22Å; F607-F611 HydrophobicContact CG-CZ 4.04Å; G608-F611 PolarHBondContact O-N 3.43Å; E609-F611 VanDerWaalsContact C-N 3.25Å; E609-F611 PolarHBondContact O-N 3.36Å; F611-E684 HydrophobicContact CE1-CG 4.25Å; F611-E684 HydrophobicContact CZ-CG 4.28Å
612	G	87.7	Confident	90.6	Very high	26 Å²	26	44.5 Å²	44.5	27%	0.268	25%	0.251	S	S	.	.			trans	-60.9	164.2	172.4	0	0	0	0	0	113.4	G608 E609 R680 Q743	G608-G612 PolarHBondContact O-N 2.96Å; E609-G612 PolarHBondContact O-N 3.25Å; E609-G612 VanDerWaalsContact O-N 3.15Å; G612-R680 VanDerWaalsContact O-CZ 3.31Å; G612-R680 PolarHBondContact O-NH1 2.91Å; G612-R680 PolarHBondContact O-NH2 2.8Å; G612-Q743 VanDerWaalsContact C-CD 3.49Å; G612-Q743 VanDerWaalsContact C-NE2 3.31Å; G612-Q743 WeakPolarHBondContact O-CG 3.45Å; G612-Q743 PolarHBondContact O-NE2 2.94Å; G612-Q743 PolarHBondContact O-OE1 2.91Å
613	G	88.5	Confident	91	Very high	14 Å²	14	44 Å²	44	14%	0.144	25%	0.25	C	C	.	.			trans	-173.8	-113.4	-176.1	0	0	0	0	0	110.2	R560	R560-G613 VanDerWaalsContact CZ-O 3.27Å; R560-G613 PolarHBondContact NE-O 3.32Å; R560-G613 VanDerWaalsContact NE-O 3.13Å; R560-G613 PolarHBondContact NH2-O 2.97Å
614	G	89.5	Confident	91.2	Very high	10 Å²	10	48.3 Å²	48.3	10%	0.103	28%	0.28	C	S	.	.	S	Bend	trans	-73.6	167.7	167.7	0	0	0	0	0	111.4	S556 P616	S556-G614 PolarHBondContact O-N 3.21Å; G614-P616 WeakPolarHBondContact O-CD 3.48Å
615	N	91.4	Very high	91.4	Very high	76 Å²	76	52 Å²	52	41%	0.406	29%	0.289	S	S	.	.			trans	-70.5	117.1	173.7	-178.7	-4.6	0	0	0	109.5	I559 Q563 E617 L618	I559-N615 WeakPolarHBondContact CG2-O 3.31Å; Q563-N615 PolarHBondContact NE2-O 2.91Å; N615-E617 PolarHBondContact O-N 3.08Å; N615-E617 VanDerWaalsContact O-N 3.11Å; N615-E617 WeakPolarHBondContact OD1-CB 3.48Å; N615-E617 PolarHBondContact OD1-N 3.28Å; N615-L618 PolarHBondContact O-N 3.49Å
616	P	90.4	Very high	91.6	Very high	63 Å²	63	46.6 Å²	46.6	41%	0.409	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.2	-177.7	28.9	-36.4	0	0	0	113.6	G614 L618 L619 T620	G614-P616 WeakPolarHBondContact O-CD 3.48Å; P616-L618 PolarHBondContact O-N 3.28Å; P616-L618 VanDerWaalsContact O-N 3.09Å; P616-L619 WeakPolarHBondContact O-CB 3.38Å; P616-L619 PolarHBondContact O-N 3.05Å; P616-T620 PolarHBondContact O-N 2.83Å
617	E	92.9	Very high	91.9	Very high	69 Å²	69	43.3 Å²	43.3	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-56.7	-22.4	173.1	-178.1	53.1	-160	0	0	113.2	N615 L619 T620 Q621 L659	N615-E617 PolarHBondContact O-N 3.08Å; N615-E617 VanDerWaalsContact O-N 3.11Å; N615-E617 WeakPolarHBondContact OD1-CB 3.48Å; N615-E617 PolarHBondContact OD1-N 3.28Å; E617-L619 VanDerWaalsContact C-N 3.29Å; E617-L619 PolarHBondContact O-N 3.22Å; E617-T620 WeakPolarHBondContact O-CB 3.48Å; E617-T620 PolarHBondContact O-N 3.08Å; E617-T620 WeakPolarHBondContact OE2-CB 3.47Å; E617-T620 WeakPolarHBondContact OE2-CG2 3.36Å; E617-T620 PolarHBondContact OE2-OG1 3.12Å; E617-T620 VanDerWaalsContact OE2-OG1 3.12Å; E617-Q621 HydrophobicContact CG-CG 4.35Å; E617-Q621 WeakPolarHBondContact O-CG 3.31Å; E617-Q621 PolarHBondContact O-N 3.12Å; E617-Q621 VanDerWaalsContact OE1-CG 3.26Å; E617-Q621 WeakPolarHBondContact OE1-CG 3.45Å; E617-Q621 PolarHBondContact OE1-NE2 3.49Å; E617-Q621 VanDerWaalsContact OE1-NE2 3.12Å; E617-L659 HydrophobicContact CB-CD1 4.37Å; E617-L659 HydrophobicContact CG-CD1 4.34Å; E617-L659 HydrophobicContact CG-CD2 4.35Å
618	L	93.4	Very high	91.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.7	-45.5	168.6	177.7	61.5	0	0	0	111.5	I559 N615 P616 Q621 M622 F636 M652 I655 L656 L659	I559-L618 HydrophobicContact CG2-CB 4.28Å; I559-L618 HydrophobicContact CG2-CD2 4.04Å; N615-L618 PolarHBondContact O-N 3.49Å; P616-L618 PolarHBondContact O-N 3.28Å; P616-L618 VanDerWaalsContact O-N 3.09Å; L618-Q621 PolarHBondContact O-N 3.37Å; L618-M622 HydrophobicContact CD1-SD 4.41Å; L618-M622 HydrophobicContact CG-SD 4.22Å; L618-M622 VanDerWaalsContact O-CG 3.23Å; L618-M622 WeakPolarHBondContact O-CG 3.32Å; L618-M622 PolarHBondContact O-N 3.48Å; L618-F636 HydrophobicContact CD2-CE1 4.42Å; L618-F636 HydrophobicContact CD2-CZ 4.42Å; L618-M652 HydrophobicContact CD1-CE 3.9Å; L618-I655 HydrophobicContact CD1-CB 4.39Å; L618-I655 HydrophobicContact CD1-CG2 3.61Å; L618-L656 HydrophobicContact CD1-CD2 3.82Å; L618-L656 HydrophobicContact CD1-CG 4.48Å; L618-L656 HydrophobicContact CD2-CD2 3.91Å; L618-L659 HydrophobicContact CB-CD1 3.94Å; L618-L659 HydrophobicContact CD1-CD1 4.46Å
619	L	93.3	Very high	92	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-70	-37.1	178.6	-52.8	-178.4	0	0	0	111	I559 V593 A596 K597 P616 E617 M622 V623	I559-L619 HydrophobicContact CD1-CD1 3.8Å; I559-L619 HydrophobicContact CD1-CD2 4.27Å; I559-L619 HydrophobicContact CD1-CG 4Å; I559-L619 HydrophobicContact CG1-CD2 4.47Å; V593-L619 HydrophobicContact CG1-CB 4.44Å; V593-L619 HydrophobicContact CG1-CD2 3.91Å; A596-L619 HydrophobicContact CB-CD1 4.41Å; K597-L619 HydrophobicContact CB-CB 3.98Å; K597-L619 HydrophobicContact CB-CD1 4.2Å; K597-L619 HydrophobicContact CG-CB 4.38Å; P616-L619 WeakPolarHBondContact O-CB 3.38Å; P616-L619 PolarHBondContact O-N 3.05Å; E617-L619 VanDerWaalsContact C-N 3.29Å; E617-L619 PolarHBondContact O-N 3.22Å; L619-M622 HydrophobicContact CD2-SD 4.43Å; L619-M622 PolarHBondContact O-N 3.01Å; L619-V623 WeakPolarHBondContact O-CB 3.26Å; L619-V623 VanDerWaalsContact O-CG2 3.26Å; L619-V623 WeakPolarHBondContact O-CG2 3.33Å; L619-V623 PolarHBondContact O-N 3.16Å
620	T	94.1	Very high	92.1	Very high	37 Å²	37	43 Å²	43	23%	0.227	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-48.9	172.8	-56.8	0	0	0	0	111.5	K597 P616 E617 V623 S624	K597-T620 PolarHBondContact NZ-OG1 2.76Å; P616-T620 PolarHBondContact O-N 2.83Å; E617-T620 WeakPolarHBondContact O-CB 3.48Å; E617-T620 PolarHBondContact O-N 3.08Å; E617-T620 WeakPolarHBondContact OE2-CB 3.47Å; E617-T620 WeakPolarHBondContact OE2-CG2 3.36Å; E617-T620 PolarHBondContact OE2-OG1 3.12Å; E617-T620 VanDerWaalsContact OE2-OG1 3.12Å; T620-V623 PolarHBondContact O-N 3Å; T620-S624 WeakPolarHBondContact O-CB 3.28Å; T620-S624 PolarHBondContact O-N 3.41Å; T620-S624 PolarHBondContact O-OG 3.37Å
621	Q	94.6	Very high	91.8	Very high	47 Å²	47	45.8 Å²	45.8	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-71.5	-29.6	-178.4	-66.9	-172.9	26.6	0	0	113.2	E617 L618 S624 K625 I655	E617-Q621 HydrophobicContact CG-CG 4.35Å; E617-Q621 WeakPolarHBondContact O-CG 3.31Å; E617-Q621 PolarHBondContact O-N 3.12Å; E617-Q621 VanDerWaalsContact OE1-CG 3.26Å; E617-Q621 WeakPolarHBondContact OE1-CG 3.45Å; E617-Q621 PolarHBondContact OE1-NE2 3.49Å; E617-Q621 VanDerWaalsContact OE1-NE2 3.12Å; L618-Q621 PolarHBondContact O-N 3.37Å; Q621-S624 WeakPolarHBondContact CA-OG 3.45Å; Q621-S624 PolarHBondContact O-OG 2.66Å; Q621-K625 WeakPolarHBondContact O-CB 3.36Å; Q621-K625 WeakPolarHBondContact O-CG 3.27Å; Q621-K625 PolarHBondContact O-N 3.12Å; Q621-I655 HydrophobicContact CB-CD1 4.48Å; Q621-I655 HydrophobicContact CB-CG2 3.74Å
622	M	94.4	Very high	91.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-51	168.7	-72.5	174.9	80.8	0	0	111	V593 L618 L619 S624 K625 G626 F627 F636 M652 I655	V593-M622 HydrophobicContact CG1-CB 3.74Å; V593-M622 HydrophobicContact CG1-CE 3.91Å; V593-M622 HydrophobicContact CG1-CG 4.42Å; V593-M622 HydrophobicContact CG1-SD 3.85Å; V593-M622 HydrophobicContact CG2-CE 3.83Å; L618-M622 HydrophobicContact CD1-SD 4.41Å; L618-M622 HydrophobicContact CG-SD 4.22Å; L618-M622 VanDerWaalsContact O-CG 3.23Å; L618-M622 WeakPolarHBondContact O-CG 3.32Å; L618-M622 PolarHBondContact O-N 3.48Å; L619-M622 HydrophobicContact CD2-SD 4.43Å; L619-M622 PolarHBondContact O-N 3.01Å; M622-S624 PolarHBondContact O-N 3.36Å; M622-K625 CarbonylContact O-C 3.58Å; M622-K625 PolarHBondContact O-N 3.26Å; M622-G626 PolarHBondContact O-N 3.13Å; M622-F627 HydrophobicContact CB-CB 4.11Å; M622-F627 WeakPolarHBondContact O-CA 3.24Å; M622-F627 WeakPolarHBondContact O-CB 3.17Å; M622-F627 PolarHBondContact O-N 3.44Å; M622-F636 HydrophobicContact CE-CD1 4.05Å; M622-F636 HydrophobicContact CE-CD2 3.94Å; M622-F636 HydrophobicContact CE-CE1 3.89Å; M622-F636 HydrophobicContact CE-CE2 3.78Å; M622-F636 HydrophobicContact CE-CG 4.08Å; M622-F636 HydrophobicContact CE-CZ 3.75Å; M622-F636 HydrophobicContact SD-CE1 3.88Å; M622-F636 HydrophobicContact SD-CE2 4.21Å; M622-F636 HydrophobicContact SD-CZ 3.66Å; M622-M652 HydrophobicContact CE-CE 3.94Å; M622-M652 HydrophobicContact CE-SD 3.86Å; M622-M652 HydrophobicContact CG-CE 3.58Å; M622-M652 HydrophobicContact CG-SD 3.69Å; M622-M652 HydrophobicContact SD-CE 3.61Å; M622-M652 HydrophobicContact SD-SD 4.16Å; M622-I655 HydrophobicContact CG-CD1 4.46Å
623	V	94.6	Very high	91.8	Very high	48 Å²	48	47.9 Å²	47.9	29%	0.291	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-42.5	-178.6	171.7	0	0	0	0	111.7	V593 D594 L619 T620 K625 G626 L628	V593-V623 HydrophobicContact CG1-CG2 4.29Å; D594-V623 HydrophobicContact CB-CG2 3.92Å; L619-V623 WeakPolarHBondContact O-CB 3.26Å; L619-V623 VanDerWaalsContact O-CG2 3.26Å; L619-V623 WeakPolarHBondContact O-CG2 3.33Å; L619-V623 PolarHBondContact O-N 3.16Å; T620-V623 PolarHBondContact O-N 3Å; V623-K625 VanDerWaalsContact C-N 3.3Å; V623-K625 PolarHBondContact O-N 2.82Å; V623-G626 PolarHBondContact O-N 2.99Å; V623-L628 HydrophobicContact CB-CD2 4.28Å; V623-L628 HydrophobicContact CG1-CD2 4.06Å; V623-L628 HydrophobicContact CG2-CD2 4.09Å
624	S	93.9	Very high	92	Very high	93 Å²	93	50.8 Å²	50.8	65%	0.65	28%	0.275	S	S	*	.	H	α-helix	trans	-68.2	-26.1	178.9	67.9	0	0	0	0	113.7	T620 Q621 M622 G626	T620-S624 WeakPolarHBondContact O-CB 3.28Å; T620-S624 PolarHBondContact O-N 3.41Å; T620-S624 PolarHBondContact O-OG 3.37Å; Q621-S624 WeakPolarHBondContact CA-OG 3.45Å; Q621-S624 PolarHBondContact O-OG 2.66Å; M622-S624 PolarHBondContact O-N 3.36Å; S624-G626 VanDerWaalsContact C-N 3.33Å
625	K	93.3	Very high	92.2	Very high	105 Å²	105	50.3 Å²	50.3	46%	0.457	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5.5	169.1	-67.2	-173.1	-174.3	-179.9	0	114	Q621 M622 V623 F627 S654 I655	Q621-K625 WeakPolarHBondContact O-CB 3.36Å; Q621-K625 WeakPolarHBondContact O-CG 3.27Å; Q621-K625 PolarHBondContact O-N 3.12Å; M622-K625 CarbonylContact O-C 3.58Å; M622-K625 PolarHBondContact O-N 3.26Å; V623-K625 VanDerWaalsContact C-N 3.3Å; V623-K625 PolarHBondContact O-N 2.82Å; K625-F627 VanDerWaalsContact C-N 3.32Å; K625-F627 HydrophobicContact CB-CD1 4.41Å; K625-F627 HydrophobicContact CB-CD2 4.2Å; K625-F627 HydrophobicContact CB-CE1 4.22Å; K625-F627 HydrophobicContact CB-CE2 4.03Å; K625-F627 HydrophobicContact CB-CG 4.38Å; K625-F627 HydrophobicContact CB-CZ 4.03Å; K625-F627 HydrophobicContact CD-CE2 4.13Å; K625-F627 HydrophobicContact CD-CZ 4.36Å; K625-F627 WeakPolarHBondContact O-CD1 3.33Å; K625-F627 WeakPolarHBondContact O-CE1 3.39Å; K625-F627 PolarHBondContact O-N 3.44Å; K625-S654 PolarHBondContact NZ-OG 3.29Å; K625-I655 HydrophobicContact CD-CD1 3.96Å; K625-I655 HydrophobicContact CD-CG1 4.48Å
626	G	93.1	Very high	92.3	Very high	35 Å²	35	46.8 Å²	46.8	36%	0.361	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	13.8	179.2	0	0	0	0	0	115.1	M622 V623 S624 L628 S632	M622-G626 PolarHBondContact O-N 3.13Å; V623-G626 PolarHBondContact O-N 2.99Å; S624-G626 VanDerWaalsContact C-N 3.33Å; G626-L628 VanDerWaalsContact C-N 3.29Å; G626-L628 PolarHBondContact O-N 2.7Å; G626-S632 PolarHBondContact O-OG 3.03Å
627	F	94.7	Very high	92.4	Very high	14 Å²	14	44.2 Å²	44.2	6%	0.061	23%	0.233	C	C	.	.			trans	-83.2	73.5	178	-56	-16.9	0	0	0	109.8	V593 M622 K625 G629 K634 D651 M652 I655	V593-F627 WeakPolarHBondContact CB-O 3.41Å; V593-F627 WeakPolarHBondContact CG2-O 3.29Å; M622-F627 HydrophobicContact CB-CB 4.11Å; M622-F627 WeakPolarHBondContact O-CA 3.24Å; M622-F627 WeakPolarHBondContact O-CB 3.17Å; M622-F627 PolarHBondContact O-N 3.44Å; K625-F627 VanDerWaalsContact C-N 3.32Å; K625-F627 HydrophobicContact CB-CD1 4.41Å; K625-F627 HydrophobicContact CB-CD2 4.2Å; K625-F627 HydrophobicContact CB-CE1 4.22Å; K625-F627 HydrophobicContact CB-CE2 4.03Å; K625-F627 HydrophobicContact CB-CG 4.38Å; K625-F627 HydrophobicContact CB-CZ 4.03Å; K625-F627 HydrophobicContact CD-CE2 4.13Å; K625-F627 HydrophobicContact CD-CZ 4.36Å; K625-F627 WeakPolarHBondContact O-CD1 3.33Å; K625-F627 WeakPolarHBondContact O-CE1 3.39Å; K625-F627 PolarHBondContact O-N 3.44Å; F627-G629 VanDerWaalsContact C-N 3.29Å; F627-G629 PolarHBondContact O-N 2.86Å; F627-K634 CarbonylContact C-O 3.54Å; F627-K634 VanDerWaalsContact C-O 3.22Å; F627-K634 WeakPolarHBondContact CA-O 3.42Å; F627-K634 HydrophobicContact CD1-CB 3.88Å; F627-K634 HydrophobicContact CD1-CD 4.06Å; F627-K634 HydrophobicContact CE1-CB 4.47Å; F627-K634 HydrophobicContact CE1-CD 3.81Å; F627-D651 HydrophobicContact CE1-CB 4.48Å; F627-D651 HydrophobicContact CE2-CB 3.71Å; F627-D651 HydrophobicContact CZ-CB 3.4Å; F627-M652 HydrophobicContact CD2-SD 3.64Å; F627-M652 HydrophobicContact CE2-SD 4.16Å; F627-I655 HydrophobicContact CD2-CD1 4.16Å; F627-I655 HydrophobicContact CE2-CD1 4.04Å
628	L	92	Very high	92.5	Very high	43 Å²	43	43.1 Å²	43.1	23%	0.225	23%	0.23	C	C	.	.			trans	-88.5	7.3	-176	-50	-177.6	0	0	0	113.2	G592 V593 D594 V623 G626 K631 S632 K634	G592-L628 WeakPolarHBondContact CA-O 3.19Å; V593-L628 PolarHBondContact N-O 3.13Å; D594-L628 HydrophobicContact CB-CD2 4.3Å; V623-L628 HydrophobicContact CB-CD2 4.28Å; V623-L628 HydrophobicContact CG1-CD2 4.06Å; V623-L628 HydrophobicContact CG2-CD2 4.09Å; G626-L628 VanDerWaalsContact C-N 3.29Å; G626-L628 PolarHBondContact O-N 2.7Å; L628-K631 HydrophobicContact CB-CG 4.09Å; L628-S632 PolarHBondContact N-OG 2.79Å; L628-S632 VanDerWaalsContact N-OG 3.11Å; L628-K634 PolarHBondContact N-O 3.36Å
629	G	91.8	Very high	92.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	88.4	-149.5	-176.2	0	0	0	0	0	112.4	D589 F627 K631 S632 G633 K634	D589-G629 WeakPolarHBondContact O-CA 3.33Å; F627-G629 VanDerWaalsContact C-N 3.29Å; F627-G629 PolarHBondContact O-N 2.86Å; G629-K631 PolarHBondContact O-N 2.85Å; G629-K631 VanDerWaalsContact O-N 3.07Å; G629-S632 PolarHBondContact O-N 2.89Å; G629-G633 PolarHBondContact O-N 2.8Å; G629-K634 WeakPolarHBondContact CA-O 3.38Å; G629-K634 PolarHBondContact N-O 3.03Å; G629-K634 CarbonylContact O-C 3.49Å; G629-K634 PolarHBondContact O-N 3.14Å
630	R	87.8	Confident	92	Very high	149 Å²	149	50.8 Å²	50.8	56%	0.562	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.4	-174.9	-175.3	169.3	-176.2	-176.2	2.9	113.5	D589 E590 Y639	D589-R630 WeakPolarHBondContact O-CB 3.19Å; D589-R630 PolarHBondContact O-N 3.11Å; E590-R630 IonicContact OE1-NH1 2.88Å; E590-R630 WeakPolarHBondContact OE2-CD 3.32Å; E590-R630 IonicContact OE2-CZ 2.58Å; E590-R630 IonicContact OE2-NE 3.95Å; E590-R630 IonicContact OE2-NH1 2.75Å; E590-R630 PolarHBondContact OE2-NH1 2.9Å; R630-Y639 HydrophobicContact CB-CD1 3.93Å; R630-Y639 HydrophobicContact CB-CD2 4.43Å; R630-Y639 HydrophobicContact CB-CE1 3.91Å; R630-Y639 HydrophobicContact CB-CE2 4.46Å; R630-Y639 HydrophobicContact CB-CG 4.22Å; R630-Y639 HydrophobicContact CG-CD1 3.62Å; R630-Y639 HydrophobicContact CG-CE1 3.95Å; R630-Y639 HydrophobicContact CG-CG 4.1Å
631	K	83.7	Confident	91.4	Very high	122 Å²	122	58.7 Å²	58.7	53%	0.53	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.9	-178.1	73.7	-172.3	-168.5	-176.5	0	115	D594 L628 G629	D594-K631 VanDerWaalsContact OD1-CE 3.27Å; D594-K631 WeakPolarHBondContact OD1-CE 3.37Å; D594-K631 IonicContact OD1-NZ 2.78Å; D594-K631 PolarHBondContact OD1-NZ 2.97Å; D594-K631 WeakPolarHBondContact OD2-CE 3.31Å; D594-K631 IonicContact OD2-NZ 3.2Å; D594-K631 PolarHBondContact OD2-NZ 2.87Å; L628-K631 HydrophobicContact CB-CG 4.09Å; G629-K631 PolarHBondContact O-N 2.85Å; G629-K631 VanDerWaalsContact O-N 3.07Å
632	S	89.5	Confident	90.5	Very high	56 Å²	56	60.1 Å²	60.1	39%	0.392	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	4.6	170.9	68	0	0	0	0	113.5	G626 L628 G629 K634	G626-S632 PolarHBondContact O-OG 3.03Å; L628-S632 PolarHBondContact N-OG 2.79Å; L628-S632 VanDerWaalsContact N-OG 3.11Å; G629-S632 PolarHBondContact O-N 2.89Å; S632-K634 PolarHBondContact O-N 3.4Å; S632-K634 PolarHBondContact OG-O 3.36Å
633	G	90.3	Very high	89.9	Confident	21 Å²	21	63.7 Å²	63.7	22%	0.216	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-6.6	-176.7	0	0	0	0	0	114.8	G629 Y639	G629-G633 PolarHBondContact O-N 2.8Å; G633-Y639 PolarHBondContact O-N 3.43Å
634	K	92.8	Very high	88.8	Confident	74 Å²	74	71.4 Å²	71.4	32%	0.322	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-142.1	134.4	-179.5	-76	-167.3	170.4	-169.2	0	112.3	F627 L628 G629 S632 D651	F627-K634 CarbonylContact C-O 3.54Å; F627-K634 VanDerWaalsContact C-O 3.22Å; F627-K634 WeakPolarHBondContact CA-O 3.42Å; F627-K634 HydrophobicContact CD1-CB 3.88Å; F627-K634 HydrophobicContact CD1-CD 4.06Å; F627-K634 HydrophobicContact CE1-CB 4.47Å; F627-K634 HydrophobicContact CE1-CD 3.81Å; L628-K634 PolarHBondContact N-O 3.36Å; G629-K634 WeakPolarHBondContact CA-O 3.38Å; G629-K634 PolarHBondContact N-O 3.03Å; G629-K634 CarbonylContact O-C 3.49Å; G629-K634 PolarHBondContact O-N 3.14Å; S632-K634 PolarHBondContact O-N 3.4Å; S632-K634 PolarHBondContact OG-O 3.36Å; K634-D651 IonicContact NZ-OD2 2.63Å; K634-D651 PolarHBondContact NZ-OD2 3.07Å
635	G	93.5	Very high	87.7	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	38%	0.378	C	S	.	.	S	Bend	trans	-149.5	-127.2	169.8	0	0	0	0	0	109.7	D589 Y637 N649 M652	D589-G635 VanDerWaalsContact OD1-CA 3.29Å; D589-G635 WeakPolarHBondContact OD1-CA 3.43Å; G635-Y637 PolarHBondContact N-O 3.46Å; G635-N649 VanDerWaalsContact O-CB 3.24Å; G635-N649 WeakPolarHBondContact O-CB 3.02Å; G635-N649 PolarHBondContact O-ND2 3.04Å; G635-M652 WeakPolarHBondContact O-CG 3.42Å
636	F	93.5	Very high	87.1	Confident	3 Å²	3	73.5 Å²	73.5	1%	0.013	37%	0.37	C	S	.	.	S	Bend	trans	-63.5	-32.5	161.8	-65.6	-68.7	0	0	0	111.8	L562 P568 A585 V588 D589 L618 M622 N649 M652	L562-F636 HydrophobicContact CD1-CD1 4.34Å; L562-F636 HydrophobicContact CD1-CE1 3.64Å; L562-F636 HydrophobicContact CD1-CE2 4.32Å; L562-F636 HydrophobicContact CD1-CZ 3.63Å; P568-F636 HydrophobicContact CB-CB 4.48Å; P568-F636 HydrophobicContact CG-CB 4.45Å; P568-F636 HydrophobicContact CG-CD1 4.39Å; A585-F636 HydrophobicContact CB-CD2 4.33Å; A585-F636 HydrophobicContact CB-CG 4.43Å; V588-F636 HydrophobicContact CB-CE2 4.04Å; V588-F636 HydrophobicContact CG1-CE2 4.03Å; D589-F636 WeakPolarHBondContact OD1-CD2 3.39Å; D589-F636 PolarHBondContact OD1-N 3.44Å; D589-F636 PolarHBondContact OD2-N 2.58Å; L618-F636 HydrophobicContact CD2-CE1 4.42Å; L618-F636 HydrophobicContact CD2-CZ 4.42Å; M622-F636 HydrophobicContact CE-CD1 4.05Å; M622-F636 HydrophobicContact CE-CD2 3.94Å; M622-F636 HydrophobicContact CE-CE1 3.89Å; M622-F636 HydrophobicContact CE-CE2 3.78Å; M622-F636 HydrophobicContact CE-CG 4.08Å; M622-F636 HydrophobicContact CE-CZ 3.75Å; M622-F636 HydrophobicContact SD-CE1 3.88Å; M622-F636 HydrophobicContact SD-CE2 4.21Å; M622-F636 HydrophobicContact SD-CZ 3.66Å; F636-N649 PolarHBondContact O-N 3.16Å; F636-M652 HydrophobicContact CD1-CE 4.02Å; F636-M652 HydrophobicContact CE1-CE 3.85Å
637	Y	94.4	Very high	86.9	Confident	8 Å²	8	74.5 Å²	74.5	3%	0.031	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	162.6	174.1	-60.5	-82.5	0	0	0	112.6	P568 K569 D572 A585 T586 D589 G635 Y639 K646 D647 L648	P568-Y637 VanDerWaalsContact C-OH 3.25Å; P568-Y637 HydrophobicContact CB-CE2 4.32Å; P568-Y637 PolarHBondContact O-OH 3.19Å; P568-Y637 VanDerWaalsContact O-OH 3.11Å; K569-Y637 HydrophobicContact CG-CE1 4.05Å; K569-Y637 PolarHBondContact N-OH 3.18Å; D572-Y637 WeakPolarHBondContact OD2-CE2 3.46Å; D572-Y637 PolarHBondContact OD2-OH 2.9Å; A585-Y637 HydrophobicContact CB-CE2 4.44Å; T586-Y637 WeakPolarHBondContact OG1-CE2 3.47Å; D589-Y637 WeakPolarHBondContact OD2-CD2 3.27Å; D589-Y637 PolarHBondContact OD2-N 2.98Å; G635-Y637 PolarHBondContact N-O 3.46Å; Y637-Y639 WeakPolarHBondContact O-CD2 3.44Å; Y637-Y639 VanDerWaalsContact O-CE2 3.31Å; Y637-Y639 WeakPolarHBondContact O-CE2 2.99Å; Y637-K646 HydrophobicContact CD1-CB 3.83Å; Y637-K646 HydrophobicContact CD2-CD 4.34Å; Y637-K646 HydrophobicContact CE1-CB 4.47Å; Y637-K646 HydrophobicContact CG-CB 4.1Å; Y637-K646 HydrophobicContact CG-CD 4.17Å; Y637-D647 WeakPolarHBondContact CA-O 3.22Å; Y637-L648 HydrophobicContact CD1-CD2 4.02Å; Y637-L648 HydrophobicContact CE1-CD2 3.67Å; Y637-L648 HydrophobicContact CE1-CG 4.42Å
638	I	93.1	Very high	86.7	Confident	47 Å²	47	76.4 Å²	76.4	24%	0.241	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.6	169.1	-59.5	174.7	0	0	0	109	Q640 D647 N649	I638-Q640 HydrophobicContact CG2-CG 4.29Å; I638-D647 PolarHBondContact N-O 2.66Å; I638-N649 HydrophobicContact CG1-CB 4.04Å
639	Y	90.1	Very high	86.7	Confident	34 Å²	34	74.4 Å²	74.4	13%	0.133	37%	0.367	C	S	.	.			trans	-120.6	112.4	-177.4	-62.1	-100.3	0	0	0	109.9	D589 R630 G633 Y637 K646	D589-Y639 HydrophobicContact CB-CE2 3.96Å; D589-Y639 WeakPolarHBondContact CB-OH 3.48Å; D589-Y639 WeakPolarHBondContact OD2-CE2 3.5Å; D589-Y639 PolarHBondContact OD2-OH 3.13Å; R630-Y639 HydrophobicContact CB-CD1 3.93Å; R630-Y639 HydrophobicContact CB-CD2 4.43Å; R630-Y639 HydrophobicContact CB-CE1 3.91Å; R630-Y639 HydrophobicContact CB-CE2 4.46Å; R630-Y639 HydrophobicContact CB-CG 4.22Å; R630-Y639 HydrophobicContact CG-CD1 3.62Å; R630-Y639 HydrophobicContact CG-CE1 3.95Å; R630-Y639 HydrophobicContact CG-CG 4.1Å; G633-Y639 PolarHBondContact O-N 3.43Å; Y637-Y639 WeakPolarHBondContact O-CD2 3.44Å; Y637-Y639 VanDerWaalsContact O-CE2 3.31Å; Y637-Y639 WeakPolarHBondContact O-CE2 2.99Å; Y639-K646 HydrophobicContact CE1-CD 4.04Å; Y639-K646 VanDerWaalsContact CE1-CE 3.44Å; Y639-K646 VanDerWaalsContact CE1-NZ 3.29Å; Y639-K646 PolarHBondContact OH-NZ 2.77Å
640	Q	87.1	Confident	86.6	Confident	130 Å²	130	78 Å²	78	61%	0.607	39%	0.392	S	S	*	.			trans	-114.2	142.8	176.2	-66.8	174.5	-3	0	0	109.9	I638 V643	I638-Q640 HydrophobicContact CG2-CG 4.29Å; Q640-V643 HydrophobicContact CB-CB 4.01Å; Q640-V643 HydrophobicContact CB-CG2 3.74Å; Q640-V643 PolarHBondContact O-N 2.92Å
641	E	80.5	Confident	86.6	Confident	203 Å²	203	73.8 Å²	73.8	95%	0.949	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	142.2	179	-171.9	161.6	-154.5	0	0	111.3	V643	E641-V643 PolarHBondContact O-N 3.32Å
642	G	75.9	Confident	86.9	Confident	78 Å²	78	68.1 Å²	68.1	80%	0.804	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	-25.2	-174.4	0	0	0	0	0	115.5
643	V	82.5	Confident	86.7	Confident	75 Å²	75	70.3 Å²	70.3	46%	0.455	36%	0.363	S	S	.	.			trans	-78.5	130.5	-177.6	-176	0	0	0	0	111.1	Q640 E641 R645	Q640-V643 HydrophobicContact CB-CB 4.01Å; Q640-V643 HydrophobicContact CB-CG2 3.74Å; Q640-V643 PolarHBondContact O-N 2.92Å; E641-V643 PolarHBondContact O-N 3.32Å; V643-R645 HydrophobicContact CG1-CB 4.33Å
644	K	70.6	Confident	86.5	Confident	210 Å²	210	72.4 Å²	72.4	91%	0.913	38%	0.375	S	S	*	.			trans	-96.2	-11.9	-179.7	-69.4	-179.2	-178.6	170.2	0	114.6
645	R	72.4	Confident	86.4	Confident	177 Å²	177	69 Å²	69	67%	0.668	36%	0.36	S	S	*	.			trans	-90.6	126	179.2	-179.9	175.4	162.1	153.8	-3.5	108.3	V643 D647	V643-R645 HydrophobicContact CG1-CB 4.33Å; R645-D647 VanDerWaalsContact CD-OD2 3.31Å; R645-D647 WeakPolarHBondContact CD-OD2 3.49Å; R645-D647 WeakPolarHBondContact CG-OD2 3.5Å; R645-D647 IonicContact CZ-OD1 3.24Å; R645-D647 VanDerWaalsContact CZ-OD1 3.24Å; R645-D647 IonicContact CZ-OD2 3.68Å; R645-D647 IonicContact NE-OD1 2.76Å; R645-D647 PolarHBondContact NE-OD1 3.14Å; R645-D647 IonicContact NE-OD2 3.67Å; R645-D647 PolarHBondContact NE-OD2 3.36Å; R645-D647 IonicContact NH2-OD1 2.74Å; R645-D647 PolarHBondContact NH2-OD1 2.82Å; R645-D647 IonicContact NH2-OD2 3.8Å
646	K	80.4	Confident	86.2	Confident	64 Å²	64	70.2 Å²	70.2	28%	0.278	37%	0.366	S	S	.	.			trans	-91.5	107.8	167.6	-65.9	-166.8	-179.8	-163	0	108.1	T586 E590 Y637 Y639	T586-K646 PolarHBondContact OG1-NZ 2.98Å; E590-K646 IonicContact OE1-NZ 3.26Å; E590-K646 PolarHBondContact OE1-NZ 3.03Å; Y637-K646 HydrophobicContact CD1-CB 3.83Å; Y637-K646 HydrophobicContact CD2-CD 4.34Å; Y637-K646 HydrophobicContact CE1-CB 4.47Å; Y637-K646 HydrophobicContact CG-CB 4.1Å; Y637-K646 HydrophobicContact CG-CD 4.17Å; Y639-K646 HydrophobicContact CE1-CD 4.04Å; Y639-K646 VanDerWaalsContact CE1-CE 3.44Å; Y639-K646 VanDerWaalsContact CE1-NZ 3.29Å; Y639-K646 PolarHBondContact OH-NZ 2.77Å
647	D	88	Confident	86	Confident	57 Å²	57	73.4 Å²	73.4	31%	0.305	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	154.5	168.3	-75.9	-65	0	0	0	110.2	Y637 I638 R645	Y637-D647 WeakPolarHBondContact CA-O 3.22Å; I638-D647 PolarHBondContact N-O 2.66Å; R645-D647 VanDerWaalsContact CD-OD2 3.31Å; R645-D647 WeakPolarHBondContact CD-OD2 3.49Å; R645-D647 WeakPolarHBondContact CG-OD2 3.5Å; R645-D647 IonicContact CZ-OD1 3.24Å; R645-D647 VanDerWaalsContact CZ-OD1 3.24Å; R645-D647 IonicContact CZ-OD2 3.68Å; R645-D647 IonicContact NE-OD1 2.76Å; R645-D647 PolarHBondContact NE-OD1 3.14Å; R645-D647 IonicContact NE-OD2 3.67Å; R645-D647 PolarHBondContact NE-OD2 3.36Å; R645-D647 IonicContact NH2-OD1 2.74Å; R645-D647 PolarHBondContact NH2-OD1 2.82Å; R645-D647 IonicContact NH2-OD2 3.8Å
648	L	91.2	Very high	85.8	Confident	54 Å²	54	76.7 Å²	76.7	28%	0.283	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	145.9	-179.3	-74.2	167.9	0	0	0	109.9	P568 K569 Y637 S650	P568-L648 HydrophobicContact CB-CD2 3.83Å; P568-L648 HydrophobicContact CG-CD2 3.86Å; K569-L648 HydrophobicContact CD-CD1 3.98Å; K569-L648 HydrophobicContact CD-CG 4.18Å; K569-L648 HydrophobicContact CG-CD1 4.4Å; K569-L648 HydrophobicContact CG-CD2 4.26Å; K569-L648 HydrophobicContact CG-CG 4.34Å; Y637-L648 HydrophobicContact CD1-CD2 4.02Å; Y637-L648 HydrophobicContact CE1-CD2 3.67Å; Y637-L648 HydrophobicContact CE1-CG 4.42Å; L648-S650 PolarHBondContact O-N 3.09Å
649	N	91.3	Very high	85.7	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.005	41%	0.413	C	S	.	.			trans	-80.8	98.9	170.4	-177.3	17.4	0	0	0	109.5	G635 F636 I638 D651 M652	G635-N649 VanDerWaalsContact O-CB 3.24Å; G635-N649 WeakPolarHBondContact O-CB 3.02Å; G635-N649 PolarHBondContact O-ND2 3.04Å; F636-N649 PolarHBondContact O-N 3.16Å; I638-N649 HydrophobicContact CG1-CB 4.04Å; N649-D651 PolarHBondContact O-N 2.85Å; N649-D651 VanDerWaalsContact O-N 3.08Å; N649-D651 WeakPolarHBondContact OD1-CB 3.21Å; N649-D651 VanDerWaalsContact OD1-CG 3.31Å; N649-D651 PolarHBondContact OD1-N 2.81Å; N649-D651 PolarHBondContact OD1-OD2 2.97Å; N649-M652 HydrophobicContact CB-CG 3.96Å; N649-M652 WeakPolarHBondContact O-CB 3.43Å; N649-M652 PolarHBondContact O-N 3.15Å
650	S	90.3	Very high	85.8	Confident	76 Å²	76	80.6 Å²	80.6	53%	0.531	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-54.2	-26.6	177.3	48.2	0	0	0	0	113.6	L648 M652 D653	L648-S650 PolarHBondContact O-N 3.09Å; S650-M652 PolarHBondContact O-N 3.3Å; S650-D653 WeakPolarHBondContact O-CB 3.21Å; S650-D653 PolarHBondContact O-N 3.44Å; S650-D653 VanDerWaalsContact O-N 3.11Å
651	D	88.3	Confident	86	Confident	59 Å²	59	77.6 Å²	77.6	32%	0.316	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-64.7	-22.8	178.8	-48.9	-16.1	0	0	0	111.6	F627 K634 N649 S654	F627-D651 HydrophobicContact CE1-CB 4.48Å; F627-D651 HydrophobicContact CE2-CB 3.71Å; F627-D651 HydrophobicContact CZ-CB 3.4Å; K634-D651 IonicContact NZ-OD2 2.63Å; K634-D651 PolarHBondContact NZ-OD2 3.07Å; N649-D651 PolarHBondContact O-N 2.85Å; N649-D651 VanDerWaalsContact O-N 3.08Å; N649-D651 WeakPolarHBondContact OD1-CB 3.21Å; N649-D651 VanDerWaalsContact OD1-CG 3.31Å; N649-D651 PolarHBondContact OD1-N 2.81Å; N649-D651 PolarHBondContact OD1-OD2 2.97Å; D651-S654 PolarHBondContact O-OG 2.81Å
652	M	90	Very high	86.4	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.02	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-69.6	-29.1	174.5	-70.6	-59.7	-51.7	0	0	113.5	L618 M622 F627 G635 F636 N649 S650 S654 I655 L656	L618-M652 HydrophobicContact CD1-CE 3.9Å; M622-M652 HydrophobicContact CE-CE 3.94Å; M622-M652 HydrophobicContact CE-SD 3.86Å; M622-M652 HydrophobicContact CG-CE 3.58Å; M622-M652 HydrophobicContact CG-SD 3.69Å; M622-M652 HydrophobicContact SD-CE 3.61Å; M622-M652 HydrophobicContact SD-SD 4.16Å; F627-M652 HydrophobicContact CD2-SD 3.64Å; F627-M652 HydrophobicContact CE2-SD 4.16Å; G635-M652 WeakPolarHBondContact O-CG 3.42Å; F636-M652 HydrophobicContact CD1-CE 4.02Å; F636-M652 HydrophobicContact CE1-CE 3.85Å; N649-M652 HydrophobicContact CB-CG 3.96Å; N649-M652 WeakPolarHBondContact O-CB 3.43Å; N649-M652 PolarHBondContact O-N 3.15Å; S650-M652 PolarHBondContact O-N 3.3Å; M652-S654 PolarHBondContact O-N 3.27Å; M652-I655 HydrophobicContact CE-CB 4.41Å; M652-I655 HydrophobicContact CE-CD1 4.21Å; M652-I655 PolarHBondContact O-N 3.41Å; M652-I655 HydrophobicContact SD-CD1 3.92Å; M652-L656 HydrophobicContact CB-CD1 4.39Å; M652-L656 HydrophobicContact CE-CG 4.39Å; M652-L656 PolarHBondContact O-N 2.93Å
653	D	85.4	Confident	87.2	Confident	101 Å²	101	72.9 Å²	72.9	54%	0.54	40%	0.395	S	S	.	.	H	α-helix	trans	-60.7	-34.2	-176.5	-61.6	-32.2	0	0	0	110.3	S650 I655 A657	S650-D653 WeakPolarHBondContact O-CB 3.21Å; S650-D653 PolarHBondContact O-N 3.44Å; S650-D653 VanDerWaalsContact O-N 3.11Å; D653-I655 VanDerWaalsContact C-N 3.33Å; D653-I655 PolarHBondContact O-N 2.84Å; D653-A657 WeakPolarHBondContact O-CB 3.3Å; D653-A657 PolarHBondContact O-N 2.79Å
654	S	86.3	Confident	87.6	Confident	66 Å²	66	73.6 Å²	73.6	46%	0.462	39%	0.392	S	S	.	.	H	α-helix	trans	-63	-33.4	172.9	73.1	0	0	0	0	114.3	K625 D651 M652	K625-S654 PolarHBondContact NZ-OG 3.29Å; D651-S654 PolarHBondContact O-OG 2.81Å; M652-S654 PolarHBondContact O-N 3.27Å
655	I	89.2	Confident	88.5	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.005	39%	0.386	C	S	.	.	H	α-helix	trans	-85.6	-41.1	-177.1	-48.1	178.6	0	0	0	110.3	L618 Q621 M622 K625 F627 M652 D653 A657 S658 L659	L618-I655 HydrophobicContact CD1-CB 4.39Å; L618-I655 HydrophobicContact CD1-CG2 3.61Å; Q621-I655 HydrophobicContact CB-CD1 4.48Å; Q621-I655 HydrophobicContact CB-CG2 3.74Å; M622-I655 HydrophobicContact CG-CD1 4.46Å; K625-I655 HydrophobicContact CD-CD1 3.96Å; K625-I655 HydrophobicContact CD-CG1 4.48Å; F627-I655 HydrophobicContact CD2-CD1 4.16Å; F627-I655 HydrophobicContact CE2-CD1 4.04Å; M652-I655 HydrophobicContact CE-CB 4.41Å; M652-I655 HydrophobicContact CE-CD1 4.21Å; M652-I655 PolarHBondContact O-N 3.41Å; M652-I655 HydrophobicContact SD-CD1 3.92Å; D653-I655 VanDerWaalsContact C-N 3.33Å; D653-I655 PolarHBondContact O-N 2.84Å; I655-A657 VanDerWaalsContact C-N 3.31Å; I655-S658 PolarHBondContact O-N 3.43Å; I655-S658 PolarHBondContact O-OG 3.41Å; I655-L659 HydrophobicContact CG2-CD1 4.33Å; I655-L659 PolarHBondContact O-N 2.64Å
656	L	89.4	Confident	89.4	Confident	26 Å²	26	64.8 Å²	64.8	14%	0.136	37%	0.374	C	S	.	.	H	α-helix	trans	-68.8	-32	177	-68.5	170.9	0	0	0	111.4	L562 L618 M652 K660	L562-L656 HydrophobicContact CB-CD2 4.19Å; L618-L656 HydrophobicContact CD1-CD2 3.82Å; L618-L656 HydrophobicContact CD1-CG 4.48Å; L618-L656 HydrophobicContact CD2-CD2 3.91Å; M652-L656 HydrophobicContact CB-CD1 4.39Å; M652-L656 HydrophobicContact CE-CG 4.39Å; M652-L656 PolarHBondContact O-N 2.93Å; L656-K660 WeakPolarHBondContact O-CB 3.47Å; L656-K660 PolarHBondContact O-N 3.28Å
657	A	89.1	Confident	90.1	Very high	71 Å²	71	61.8 Å²	61.8	59%	0.587	36%	0.361	S	S	*	.	H	α-helix	trans	-67.8	-38.8	173	0	0	0	0	0	113.3	D653 I655	D653-A657 WeakPolarHBondContact O-CB 3.3Å; D653-A657 PolarHBondContact O-N 2.79Å; I655-A657 VanDerWaalsContact C-N 3.31Å
658	S	90.5	Very high	90.4	Very high	77 Å²	77	60.7 Å²	60.7	54%	0.538	36%	0.358	S	S	.	.	H	α-helix	trans	-75.7	-22.8	-179	64.6	0	0	0	0	113.8	I655	I655-S658 PolarHBondContact O-N 3.43Å; I655-S658 PolarHBondContact O-OG 3.41Å
659	L	91.8	Very high	90.7	Very high	27 Å²	27	60.5 Å²	60.5	14%	0.141	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	21.4	-179.8	-60.1	177	0	0	0	113.1	Q563 E617 L618 I655	Q563-L659 WeakPolarHBondContact CG-O 3.29Å; E617-L659 HydrophobicContact CB-CD1 4.37Å; E617-L659 HydrophobicContact CG-CD1 4.34Å; E617-L659 HydrophobicContact CG-CD2 4.35Å; L618-L659 HydrophobicContact CB-CD1 3.94Å; L618-L659 HydrophobicContact CD1-CD1 4.46Å; I655-L659 HydrophobicContact CG2-CD1 4.33Å; I655-L659 PolarHBondContact O-N 2.64Å
660	K	91.3	Very high	91	Very high	135 Å²	135	63.9 Å²	63.9	59%	0.587	38%	0.38	S	S	*	.			trans	-69.7	136.6	-174.2	-164.4	175.9	-178.1	175	0	112.6	Q563 L656	Q563-K660 WeakPolarHBondContact O-CA 3.33Å; Q563-K660 VanDerWaalsContact O-CG 3.32Å; Q563-K660 WeakPolarHBondContact O-CG 3.41Å; L656-K660 WeakPolarHBondContact O-CB 3.47Å; L656-K660 PolarHBondContact O-N 3.28Å
661	L	90.8	Very high	91.3	Very high	67 Å²	67	64.7 Å²	64.7	35%	0.351	38%	0.375	S	S	.	.			trans	-112.3	150.3	174.7	-62.9	176	0	0	0	110.8	Q563	Q563-L661 HydrophobicContact CB-CB 4.45Å; Q563-L661 HydrophobicContact CB-CD1 4.1Å; Q563-L661 HydrophobicContact CB-CG 4.13Å; Q563-L661 PolarHBondContact O-N 3.42Å
662	P	90.5	Very high	91.8	Very high	109 Å²	109	62.2 Å²	62.2	71%	0.708	36%	0.362	S	S	*	.			trans	-75.9	128.4	173.1	29.9	-32.6	0	0	0	111
663	P	91.3	Very high	92.1	Very high	73 Å²	73	62.2 Å²	62.2	47%	0.474	36%	0.362	S	S	.	.			trans	-67.1	143.8	175.6	26.2	-33.5	0	0	0	112.5	E564 S668	E564-P663 HydrophobicContact CB-CB 4.23Å; E564-P663 HydrophobicContact CG-CB 4.36Å; P663-S668 WeakPolarHBondContact CB-OG 3.37Å
664	K	91.9	Very high	92.7	Very high	90 Å²	90	58.9 Å²	58.9	39%	0.391	34%	0.343	S	S	.	.			trans	-84.7	107.4	173.2	-68.3	-66.2	-161.6	158.1	0	110.3	E666 V667 S668 Y740	K664-E666 PolarHBondContact O-N 3.37Å; K664-E666 VanDerWaalsContact O-N 3.15Å; K664-V667 HydrophobicContact CB-CG2 3.52Å; K664-V667 HydrophobicContact CG-CG2 4.49Å; K664-V667 CarbonylContact O-C 3.52Å; K664-V667 PolarHBondContact O-N 3.07Å; K664-S668 VanDerWaalsContact C-OG 3.31Å; K664-S668 PolarHBondContact N-OG 3.44Å; K664-S668 WeakPolarHBondContact O-CB 3.28Å; K664-S668 PolarHBondContact O-N 2.96Å; K664-S668 VanDerWaalsContact O-N 3.1Å; K664-S668 PolarHBondContact O-OG 3.01Å; K664-Y740 HydrophobicContact CB-CE1 4.26Å; K664-Y740 WeakPolarHBondContact CB-OH 3.48Å; K664-Y740 HydrophobicContact CG-CD1 4.32Å; K664-Y740 HydrophobicContact CG-CE1 3.51Å
665	S	88.5	Confident	93.3	Very high	111 Å²	111	56.2 Å²	56.2	78%	0.776	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-57.2	-34.9	-169	49.7	0	0	0	0	113.4	V667	S665-V667 PolarHBondContact O-N 2.9Å
666	E	91.8	Very high	93.7	Very high	92 Å²	92	56.2 Å²	56.2	43%	0.43	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-63.4	-20.2	177.5	65.5	-82.8	-163.4	0	0	114.6	K664 K735 A739	K664-E666 PolarHBondContact O-N 3.37Å; K664-E666 VanDerWaalsContact O-N 3.15Å; E666-K735 WeakPolarHBondContact O-CE 3.09Å; E666-K735 PolarHBondContact O-NZ 3.32Å; E666-A739 HydrophobicContact CG-CB 4.21Å
667	V	94.3	Very high	94.1	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-139.1	25.5	-173.9	-67	0	0	0	0	113.1	K664 S665 D672 R676 K735 Y736 A739 Y740	K664-V667 HydrophobicContact CB-CG2 3.52Å; K664-V667 HydrophobicContact CG-CG2 4.49Å; K664-V667 CarbonylContact O-C 3.52Å; K664-V667 PolarHBondContact O-N 3.07Å; S665-V667 PolarHBondContact O-N 2.9Å; V667-D672 WeakPolarHBondContact O-CB 3.19Å; V667-R676 WeakPolarHBondContact O-CD 3.48Å; V667-R676 PolarHBondContact O-NH1 2.68Å; V667-K735 HydrophobicContact CG1-CD 4.16Å; V667-K735 HydrophobicContact CG1-CG 4.06Å; V667-Y736 HydrophobicContact CB-CD1 3.93Å; V667-Y736 HydrophobicContact CB-CE1 4.1Å; V667-Y736 HydrophobicContact CG1-CD1 3.55Å; V667-Y736 HydrophobicContact CG1-CE1 3.82Å; V667-A739 HydrophobicContact CB-CB 4.49Å; V667-A739 HydrophobicContact CG1-CB 4.04Å; V667-A739 HydrophobicContact CG2-CB 3.63Å; V667-Y740 HydrophobicContact CB-CE2 4.37Å; V667-Y740 HydrophobicContact CG2-CD2 4.16Å; V667-Y740 HydrophobicContact CG2-CE2 3.37Å
668	S	94.7	Very high	94.5	Very high	34 Å²	34	51.7 Å²	51.7	24%	0.238	29%	0.289	C	S	.	.			trans	-110.7	15.9	179.1	-62.5	0	0	0	0	114.1	P663 K664	P663-S668 WeakPolarHBondContact CB-OG 3.37Å; K664-S668 VanDerWaalsContact C-OG 3.31Å; K664-S668 PolarHBondContact N-OG 3.44Å; K664-S668 WeakPolarHBondContact O-CB 3.28Å; K664-S668 PolarHBondContact O-N 2.96Å; K664-S668 VanDerWaalsContact O-N 3.1Å; K664-S668 PolarHBondContact O-OG 3.01Å
669	S	97.6	Very high	94.9	Very high	51 Å²	51	48 Å²	48	36%	0.357	26%	0.263	S	S	.	.	S	Bend	trans	-71	155	170.7	77.4	0	0	0	0	111.4	E671 D672 I673	S669-E671 PolarHBondContact O-N 2.88Å; S669-D672 PolarHBondContact O-N 3.16Å; S669-D672 WeakPolarHBondContact OG-CB 3.48Å; S669-D672 PolarHBondContact OG-N 3.41Å; S669-D672 PolarHBondContact OG-OD2 2.99Å; S669-I673 WeakPolarHBondContact O-CG1 3.17Å; S669-I673 PolarHBondContact O-N 3.49Å
670	D	97.4	Very high	95.2	Very high	72 Å²	72	46.9 Å²	46.9	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-58.9	-31.7	178.6	-78.1	37.1	0	0	0	112.8	K570 L574 Q674	K570-D670 VanDerWaalsContact CE-CG 3.45Å; K570-D670 VanDerWaalsContact CE-OD1 3.28Å; K570-D670 WeakPolarHBondContact CE-OD1 3.21Å; K570-D670 WeakPolarHBondContact CE-OD2 3.34Å; K570-D670 VanDerWaalsContact NZ-CG 3.33Å; K570-D670 IonicContact NZ-OD1 2.87Å; K570-D670 PolarHBondContact NZ-OD1 2.88Å; K570-D670 IonicContact NZ-OD2 2.81Å; K570-D670 PolarHBondContact NZ-OD2 3.24Å; L574-D670 HydrophobicContact CD1-CB 4.44Å; L574-D670 HydrophobicContact CD2-CB 3.75Å; D670-Q674 WeakPolarHBondContact O-CG 3.32Å; D670-Q674 PolarHBondContact O-N 3.29Å
671	E	97.2	Very high	95.5	Very high	92 Å²	92	40.5 Å²	40.5	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-73.4	-43.3	171.4	-173.2	-173.5	-155.7	0	0	111.5	S669 I673 Q674 F675 R732	S669-E671 PolarHBondContact O-N 2.88Å; E671-I673 VanDerWaalsContact C-N 3.28Å; E671-I673 PolarHBondContact O-N 3.37Å; E671-Q674 WeakPolarHBondContact O-CB 3.46Å; E671-Q674 PolarHBondContact O-N 3.04Å; E671-Q674 VanDerWaalsContact O-N 3.14Å; E671-F675 HydrophobicContact CG-CD2 3.66Å; E671-F675 HydrophobicContact CG-CE2 3.8Å; E671-F675 WeakPolarHBondContact O-CD2 3.44Å; E671-F675 PolarHBondContact O-N 3.49Å; E671-R732 IonicContact OE1-CZ 2.78Å; E671-R732 IonicContact OE1-NH2 3.7Å; E671-R732 PolarHBondContact OE1-NH2 2.83Å; E671-R732 IonicContact OE2-CZ 3.65Å; E671-R732 IonicContact OE2-NH1 2.88Å; E671-R732 IonicContact OE2-NH2 3.72Å; E671-R732 PolarHBondContact OE2-NH2 3.01Å
672	D	97.8	Very high	95.9	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-36.1	176.9	-72.2	-57.3	0	0	0	112.1	V667 S669 Q674 F675 R676 R732 K735 Y736	V667-D672 WeakPolarHBondContact O-CB 3.19Å; S669-D672 PolarHBondContact O-N 3.16Å; S669-D672 WeakPolarHBondContact OG-CB 3.48Å; S669-D672 PolarHBondContact OG-N 3.41Å; S669-D672 PolarHBondContact OG-OD2 2.99Å; D672-Q674 PolarHBondContact O-N 2.94Å; D672-F675 PolarHBondContact O-N 3.18Å; D672-R676 VanDerWaalsContact O-CB 3.3Å; D672-R676 WeakPolarHBondContact O-CB 3.18Å; D672-R676 WeakPolarHBondContact O-CD 3.33Å; D672-R676 WeakPolarHBondContact O-CG 3Å; D672-R676 PolarHBondContact O-N 2.7Å; D672-R732 IonicContact OD1-NH1 3.18Å; D672-K735 IonicContact OD1-NZ 3.88Å; D672-K735 PolarHBondContact OD1-NZ 3.42Å; D672-K735 IonicContact OD2-NZ 3.61Å; D672-K735 PolarHBondContact OD2-NZ 2.88Å; D672-Y736 HydrophobicContact CB-CE1 3.91Å; D672-Y736 WeakPolarHBondContact OD1-CE1 3.23Å; D672-Y736 PolarHBondContact OD1-OH 2.91Å
673	I	97.8	Very high	96.2	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-44.4	173.3	-71	163.3	0	0	0	110.8	I561 V566 L571 L574 S669 E671 L677	I561-I673 HydrophobicContact CD1-CG2 4.09Å; I561-I673 HydrophobicContact CG2-CG2 3.97Å; V566-I673 HydrophobicContact CG2-CD1 3.99Å; L571-I673 HydrophobicContact CD1-CG2 4.14Å; L574-I673 HydrophobicContact CD1-CB 4.19Å; L574-I673 HydrophobicContact CD1-CD1 4.34Å; L574-I673 HydrophobicContact CD1-CG2 3.73Å; S669-I673 WeakPolarHBondContact O-CG1 3.17Å; S669-I673 PolarHBondContact O-N 3.49Å; E671-I673 VanDerWaalsContact C-N 3.28Å; E671-I673 PolarHBondContact O-N 3.37Å; I673-L677 WeakPolarHBondContact O-CG 3.41Å
674	Q	98.1	Very high	96.6	Very high	31 Å²	31	29.3 Å²	29.3	15%	0.145	16%	0.16	C	C	.	.	H	α-helix	trans	-63.4	-46.8	174.9	-70.1	172.6	-24.9	0	0	111.6	L574 F578 D670 E671 D672 L677 V678	L574-Q674 HydrophobicContact CB-CG 4.15Å; L574-Q674 PolarHBondContact O-NE2 2.77Å; F578-Q674 HydrophobicContact CB-CG 4.26Å; F578-Q674 HydrophobicContact CD2-CB 3.9Å; F578-Q674 HydrophobicContact CD2-CG 4.21Å; F578-Q674 HydrophobicContact CE2-CB 4.44Å; F578-Q674 HydrophobicContact CG-CB 4.46Å; D670-Q674 WeakPolarHBondContact O-CG 3.32Å; D670-Q674 PolarHBondContact O-N 3.29Å; E671-Q674 WeakPolarHBondContact O-CB 3.46Å; E671-Q674 PolarHBondContact O-N 3.04Å; E671-Q674 VanDerWaalsContact O-N 3.14Å; D672-Q674 PolarHBondContact O-N 2.94Å; Q674-L677 PolarHBondContact O-N 3.39Å; Q674-V678 VanDerWaalsContact O-CG2 3.27Å; Q674-V678 WeakPolarHBondContact O-CG2 3.42Å; Q674-V678 PolarHBondContact O-N 3.25Å; Q674-V678 VanDerWaalsContact O-N 3.13Å
675	F	98.1	Very high	96.9	Very high	10 Å²	10	25 Å²	25	4%	0.044	14%	0.141	C	C	.	.	H	α-helix	trans	-74.3	-28.9	-177.1	-84.9	-90.6	0	0	0	113.6	F578 E671 D672 L677 V678 T679 F720 Y724 Y736	F578-F675 HydrophobicContact CE2-CE2 4.18Å; F578-F675 HydrophobicContact CE2-CZ 4.36Å; E671-F675 HydrophobicContact CG-CD2 3.66Å; E671-F675 HydrophobicContact CG-CE2 3.8Å; E671-F675 WeakPolarHBondContact O-CD2 3.44Å; E671-F675 PolarHBondContact O-N 3.49Å; D672-F675 PolarHBondContact O-N 3.18Å; F675-L677 VanDerWaalsContact C-N 3.32Å; F675-L677 PolarHBondContact O-N 2.8Å; F675-V678 PolarHBondContact O-N 3.42Å; F675-T679 HydrophobicContact CB-CG2 4.42Å; F675-T679 HydrophobicContact CD1-CG2 4.08Å; F675-T679 VanDerWaalsContact O-CB 3.28Å; F675-T679 WeakPolarHBondContact O-CB 3.43Å; F675-T679 VanDerWaalsContact O-CG2 3.24Å; F675-T679 WeakPolarHBondContact O-CG2 3.43Å; F675-T679 PolarHBondContact O-N 3.15Å; F675-T679 PolarHBondContact O-OG1 2.8Å; F675-F720 HydrophobicContact CE1-CZ 4.02Å; F675-Y724 HydrophobicContact CE1-CE1 4.03Å; F675-Y724 AromaticContact CE1-CE2 4Å; F675-Y724 HydrophobicContact CE1-CE2 4Å; F675-Y724 AromaticContact CE1-CZ 3.6Å; F675-Y724 HydrophobicContact CZ-CE1 4.49Å; F675-Y724 AromaticContact CZ-CE2 3.7Å; F675-Y724 HydrophobicContact CZ-CE2 3.7Å; F675-Y724 AromaticContact CZ-CZ 3.62Å; F675-Y724 WeakPolarHBondContact CZ-OH 3.25Å; F675-Y736 HydrophobicContact CB-CE2 3.94Å; F675-Y736 WeakPolarHBondContact CB-OH 3.38Å
676	R	97.9	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-56.6	-45.7	170.9	-80.3	163.2	62.5	175.7	0.8	111.2	E557 E564 V667 D672 R680 Y736 Y740 F744	E557-R676 HydrophobicContact CG-CB 4.12Å; E557-R676 IonicContact OE1-CZ 2.75Å; E557-R676 VanDerWaalsContact OE1-CZ 3.27Å; E557-R676 IonicContact OE1-NE 3.51Å; E557-R676 PolarHBondContact OE1-NE 2.79Å; E557-R676 IonicContact OE1-NH2 2.74Å; E557-R676 PolarHBondContact OE1-NH2 2.76Å; E564-R676 IonicContact OE1-CZ 3.26Å; E564-R676 IonicContact OE1-NH1 3.5Å; E564-R676 IonicContact OE1-NH2 3.77Å; E564-R676 PolarHBondContact OE1-NH2 3.37Å; E564-R676 IonicContact OE2-CZ 2.68Å; E564-R676 IonicContact OE2-NH1 3.45Å; E564-R676 PolarHBondContact OE2-NH1 3.47Å; E564-R676 IonicContact OE2-NH2 3.79Å; E564-R676 PolarHBondContact OE2-NH2 2.77Å; V667-R676 WeakPolarHBondContact O-CD 3.48Å; V667-R676 PolarHBondContact O-NH1 2.68Å; D672-R676 VanDerWaalsContact O-CB 3.3Å; D672-R676 WeakPolarHBondContact O-CB 3.18Å; D672-R676 WeakPolarHBondContact O-CD 3.33Å; D672-R676 WeakPolarHBondContact O-CG 3Å; D672-R676 PolarHBondContact O-N 2.7Å; R676-R680 WeakPolarHBondContact O-CG 3.34Å; R676-Y736 HydrophobicContact CG-CD1 3.68Å; R676-Y736 HydrophobicContact CG-CD2 4.15Å; R676-Y736 HydrophobicContact CG-CE1 3.91Å; R676-Y736 HydrophobicContact CG-CE2 4.34Å; R676-Y736 HydrophobicContact CG-CG 3.87Å; R676-Y740 VanDerWaalsContact CZ-CE2 3.43Å; R676-Y740 PolarHBondContact NH1-OH 2.87Å; R676-Y740 PolarHBondContact NH2-OH 3.37Å; R676-F744 HydrophobicContact CB-CE1 4.17Å; R676-F744 HydrophobicContact CB-CZ 4.49Å; R676-F744 HydrophobicContact CG-CE1 4.13Å; R676-F744 HydrophobicContact CG-CZ 4.3Å
677	L	97.8	Very high	97.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-64	-53.3	174.9	-63.2	176.9	0	0	0	111.9	M554 E557 V558 I561 L571 T575 I673 Q674 F675 F681	M554-L677 HydrophobicContact CG-CB 3.9Å; M554-L677 HydrophobicContact CG-CD2 3.92Å; M554-L677 HydrophobicContact CG-CG 4.47Å; M554-L677 HydrophobicContact SD-CB 4.28Å; E557-L677 HydrophobicContact CB-CD2 3.92Å; E557-L677 HydrophobicContact CG-CD2 4.03Å; V558-L677 HydrophobicContact CG2-CD2 3.66Å; I561-L677 HydrophobicContact CD1-CD1 4.42Å; I561-L677 HydrophobicContact CD1-CD2 3.69Å; I561-L677 HydrophobicContact CD1-CG 3.9Å; L571-L677 HydrophobicContact CD1-CD1 4.22Å; T575-L677 HydrophobicContact CG2-CD1 3.42Å; T575-L677 VanDerWaalsContact CG2-CD1 3.42Å; I673-L677 WeakPolarHBondContact O-CG 3.41Å; Q674-L677 PolarHBondContact O-N 3.39Å; F675-L677 VanDerWaalsContact C-N 3.32Å; F675-L677 PolarHBondContact O-N 2.8Å; L677-F681 PolarHBondContact O-N 3.5Å
678	V	97.9	Very high	97.8	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-70.3	-39.8	-170.4	173.1	0	0	0	0	112.2	F578 F580 Q674 F675 F681 V682 F710 F720	F578-V678 HydrophobicContact CD1-CG2 3.91Å; F578-V678 HydrophobicContact CE1-CB 4.38Å; F578-V678 HydrophobicContact CE1-CG1 4.17Å; F578-V678 HydrophobicContact CE1-CG2 3.42Å; F578-V678 VanDerWaalsContact CE1-CG2 3.42Å; F578-V678 HydrophobicContact CE2-CG2 4.47Å; F578-V678 HydrophobicContact CZ-CB 4.36Å; F578-V678 HydrophobicContact CZ-CG1 4.11Å; F578-V678 HydrophobicContact CZ-CG2 3.74Å; F580-V678 HydrophobicContact CE2-CG2 3.91Å; F580-V678 HydrophobicContact CZ-CG2 4.16Å; Q674-V678 VanDerWaalsContact O-CG2 3.27Å; Q674-V678 WeakPolarHBondContact O-CG2 3.42Å; Q674-V678 PolarHBondContact O-N 3.25Å; Q674-V678 VanDerWaalsContact O-N 3.13Å; F675-V678 PolarHBondContact O-N 3.42Å; V678-F681 PolarHBondContact O-N 3.46Å; V678-V682 HydrophobicContact CG1-CG2 4.13Å; V678-V682 WeakPolarHBondContact O-CB 3.43Å; V678-V682 WeakPolarHBondContact O-CG2 3.5Å; V678-V682 PolarHBondContact O-N 3.28Å; V678-F710 HydrophobicContact CG1-CE2 4.36Å; V678-F720 HydrophobicContact CG1-CE1 3.95Å; V678-F720 HydrophobicContact CG1-CZ 4.42Å
679	T	97.9	Very high	98	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-70.4	-36.6	-177.5	58.6	0	0	0	0	112.4	F675 V682 N683 I729 R732 L733	F675-T679 HydrophobicContact CB-CG2 4.42Å; F675-T679 HydrophobicContact CD1-CG2 4.08Å; F675-T679 VanDerWaalsContact O-CB 3.28Å; F675-T679 WeakPolarHBondContact O-CB 3.43Å; F675-T679 VanDerWaalsContact O-CG2 3.24Å; F675-T679 WeakPolarHBondContact O-CG2 3.43Å; F675-T679 PolarHBondContact O-N 3.15Å; F675-T679 PolarHBondContact O-OG1 2.8Å; T679-V682 PolarHBondContact O-N 3.15Å; T679-N683 WeakPolarHBondContact O-CB 3.27Å; T679-N683 PolarHBondContact O-N 2.95Å; T679-I729 HydrophobicContact CG2-CG2 4.29Å; T679-R732 HydrophobicContact CG2-CB 4.33Å; T679-L733 HydrophobicContact CG2-CG 4.49Å
680	R	97.6	Very high	98	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.015	9%	0.087	C	C	.	.	H	α-helix	trans	-61.9	-46.2	172.5	-67.4	-172.5	79.5	-179.4	-5.7	111.7	P553 E557 R610 G612 R676 N683 E684 Q743 F744	P553-R680 HydrophobicContact CB-CB 4.49Å; E557-R680 IonicContact OE2-CZ 2.7Å; E557-R680 IonicContact OE2-NH1 3.87Å; E557-R680 PolarHBondContact OE2-NH1 3.06Å; R610-R680 PolarHBondContact O-NH2 3.32Å; G612-R680 VanDerWaalsContact O-CZ 3.31Å; G612-R680 PolarHBondContact O-NH1 2.91Å; G612-R680 PolarHBondContact O-NH2 2.8Å; R676-R680 WeakPolarHBondContact O-CG 3.34Å; R680-N683 PolarHBondContact O-N 3.31Å; R680-E684 PolarHBondContact O-N 3.16Å; R680-Q743 PolarHBondContact NE-O 3.38Å; R680-Q743 VanDerWaalsContact NE-O 3.13Å; R680-F744 VanDerWaalsContact CD-CE1 3.49Å; R680-F744 HydrophobicContact CG-CD1 3.6Å; R680-F744 HydrophobicContact CG-CE1 3.5Å; R680-F744 HydrophobicContact CG-CG 4.45Å; R680-F744 HydrophobicContact CG-CZ 4.26Å
681	F	98.3	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.2	-47.8	175.4	-177.7	-76.4	0	0	0	112.4	C550 M554 L677 V678 N683 E684 A685 A704 L708 F710 P717	C550-F681 HydrophobicContact CB-CD2 4.39Å; C550-F681 HydrophobicContact CB-CE2 4.27Å; C550-F681 HydrophobicContact CB-CZ 4.47Å; C550-F681 VanDerWaalsContact O-CD2 3.31Å; C550-F681 WeakPolarHBondContact O-CD2 3.5Å; M554-F681 HydrophobicContact SD-CB 4.48Å; M554-F681 HydrophobicContact SD-CD2 4.25Å; L677-F681 PolarHBondContact O-N 3.5Å; V678-F681 PolarHBondContact O-N 3.46Å; F681-N683 VanDerWaalsContact C-N 3.34Å; F681-N683 PolarHBondContact O-N 2.89Å; F681-E684 PolarHBondContact O-N 3.46Å; F681-A685 WeakPolarHBondContact O-CB 3.39Å; F681-A685 PolarHBondContact O-N 3.35Å; F681-A704 HydrophobicContact CE1-CB 3.9Å; F681-A704 HydrophobicContact CZ-CB 3.83Å; F681-L708 HydrophobicContact CE2-CB 4.04Å; F681-L708 HydrophobicContact CE2-CD1 3.55Å; F681-L708 HydrophobicContact CE2-CG 4.44Å; F681-L708 HydrophobicContact CZ-CB 4.11Å; F681-L708 HydrophobicContact CZ-CD1 3.64Å; F681-F710 AromaticContact CD1-CD2 3.64Å; F681-F710 HydrophobicContact CD1-CD2 3.64Å; F681-F710 AromaticContact CD1-CE2 3.84Å; F681-F710 HydrophobicContact CD1-CE2 3.84Å; F681-F710 HydrophobicContact CE1-CB 4.34Å; F681-F710 AromaticContact CE1-CD2 3.36Å; F681-F710 HydrophobicContact CE1-CD2 3.36Å; F681-F710 AromaticContact CE1-CE2 3.97Å; F681-F710 HydrophobicContact CE1-CE2 3.97Å; F681-F710 HydrophobicContact CE1-CG 4.14Å; F681-F710 HydrophobicContact CZ-CB 4.3Å; F681-F710 AromaticContact CZ-CD2 4Å; F681-F710 HydrophobicContact CZ-CD2 4Å; F681-P717 HydrophobicContact CD1-CB 4.44Å; F681-P717 HydrophobicContact CE1-CB 4.28Å; F681-P717 HydrophobicContact CE1-CG 4.12Å
682	V	98.6	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66	-37.5	-179.6	171.3	0	0	0	0	111.2	V678 T679 A685 V686 F710 P717 F720 V721 I729	V678-V682 HydrophobicContact CG1-CG2 4.13Å; V678-V682 WeakPolarHBondContact O-CB 3.43Å; V678-V682 WeakPolarHBondContact O-CG2 3.5Å; V678-V682 PolarHBondContact O-N 3.28Å; T679-V682 PolarHBondContact O-N 3.15Å; V682-A685 PolarHBondContact O-N 3.05Å; V682-V686 WeakPolarHBondContact O-CG2 3.24Å; V682-V686 PolarHBondContact O-N 3.11Å; V682-F710 HydrophobicContact CG2-CE2 3.96Å; V682-F710 HydrophobicContact CG2-CZ 4.14Å; V682-P717 HydrophobicContact CB-CB 4.38Å; V682-P717 HydrophobicContact CG1-CB 4.43Å; V682-P717 HydrophobicContact CG2-CB 3.88Å; V682-F720 HydrophobicContact CG2-CD1 3.97Å; V682-F720 HydrophobicContact CG2-CE1 4.49Å; V682-V721 HydrophobicContact CG1-CG2 3.69Å; V682-I729 HydrophobicContact CG1-CD1 4.43Å
683	N	98.3	Very high	97.9	Very high	8 Å²	8	15.3 Å²	15.3	4%	0.043	8%	0.079	C	C	.	.	H	α-helix	trans	-66.7	-44	177.7	-167.1	43.3	0	0	0	112.1	T679 R680 F681 A685 M687 L733 T745 C747	T679-N683 WeakPolarHBondContact O-CB 3.27Å; T679-N683 PolarHBondContact O-N 2.95Å; R680-N683 PolarHBondContact O-N 3.31Å; F681-N683 VanDerWaalsContact C-N 3.34Å; F681-N683 PolarHBondContact O-N 2.89Å; N683-A685 VanDerWaalsContact C-N 3.32Å; N683-A685 PolarHBondContact O-N 3.07Å; N683-M687 VanDerWaalsContact O-CB 3.29Å; N683-M687 WeakPolarHBondContact O-CB 3.3Å; N683-M687 PolarHBondContact O-N 2.7Å; N683-L733 HydrophobicContact CB-CD1 4.2Å; N683-L733 HydrophobicContact CB-CD2 4.35Å; N683-T745 PolarHBondContact ND2-O 2.89Å; N683-C747 PolarHBondContact OD1-N 3.48Å; N683-C747 PolarHBondContact OD1-SG 3.22Å
684	E	98	Very high	97.9	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.028	8%	0.079	C	C	.	.	H	α-helix	trans	-60.3	-42.5	170.4	-79.2	-50.3	119	0	0	111.9	R549 C550 P553 R610 F611 R680 F681 V686 M687 C688	R549-E684 IonicContact CZ-OE2 2.73Å; R549-E684 IonicContact NE-OE2 2.77Å; R549-E684 PolarHBondContact NE-OE2 3.16Å; R549-E684 IonicContact NH2-OE2 3.6Å; R549-E684 PolarHBondContact NH2-OE2 2.88Å; C550-E684 HydrophobicContact CB-CB 4.29Å; P553-E684 HydrophobicContact CG-CG 3.52Å; R610-E684 IonicContact CZ-OE1 2.65Å; R610-E684 IonicContact CZ-OE2 2.68Å; R610-E684 IonicContact NE-OE1 3.72Å; R610-E684 PolarHBondContact NE-OE1 2.9Å; R610-E684 IonicContact NE-OE2 2.69Å; R610-E684 IonicContact NH2-OE1 2.67Å; R610-E684 PolarHBondContact NH2-OE1 3.29Å; R610-E684 IonicContact NH2-OE2 3.93Å; R610-E684 PolarHBondContact NH2-OE2 3.03Å; F611-E684 HydrophobicContact CE1-CG 4.25Å; F611-E684 HydrophobicContact CZ-CG 4.28Å; R680-E684 PolarHBondContact O-N 3.16Å; F681-E684 PolarHBondContact O-N 3.46Å; E684-V686 PolarHBondContact O-N 2.74Å; E684-M687 CarbonylContact O-C 3.41Å; E684-M687 PolarHBondContact O-N 2.76Å; E684-C688 PolarHBondContact O-N 2.9Å; E684-C688 PolarHBondContact O-SG 3.44Å
685	A	98.5	Very high	97.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-47.2	-178.5	0	0	0	0	0	112.1	Y546 C550 F681 V682 N683 M687 C688 L689 P717 F718	Y546-A685 HydrophobicContact CE2-CB 3.95Å; C550-A685 VanDerWaalsContact SG-CA 3.6Å; F681-A685 WeakPolarHBondContact O-CB 3.39Å; F681-A685 PolarHBondContact O-N 3.35Å; V682-A685 PolarHBondContact O-N 3.05Å; N683-A685 VanDerWaalsContact C-N 3.32Å; N683-A685 PolarHBondContact O-N 3.07Å; A685-M687 VanDerWaalsContact C-N 3.32Å; A685-M687 PolarHBondContact O-N 2.76Å; A685-C688 WeakPolarHBondContact O-CB 3.36Å; A685-C688 PolarHBondContact O-N 3Å; A685-L689 PolarHBondContact O-N 2.84Å; A685-P717 HydrophobicContact CB-CB 3.82Å; A685-P717 HydrophobicContact CB-CG 3.73Å; A685-F718 HydrophobicContact CB-CE2 4.29Å; A685-F718 HydrophobicContact CB-CZ 4.49Å; A685-F718 WeakPolarHBondContact O-CZ 3.35Å
686	V	98.4	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-37.2	175.3	177.3	0	0	0	0	111.3	V682 E684 C688 L689 Q690 F718 V721 L749 L750 F761	V682-V686 WeakPolarHBondContact O-CG2 3.24Å; V682-V686 PolarHBondContact O-N 3.11Å; E684-V686 PolarHBondContact O-N 2.74Å; V686-C688 VanDerWaalsContact C-N 3.35Å; V686-C688 PolarHBondContact O-N 3.44Å; V686-L689 WeakPolarHBondContact O-CB 3.19Å; V686-L689 PolarHBondContact O-N 3.49Å; V686-L689 VanDerWaalsContact O-N 3.13Å; V686-Q690 PolarHBondContact O-N 3.17Å; V686-F718 HydrophobicContact CB-CE1 4.39Å; V686-F718 HydrophobicContact CG2-CD1 4.13Å; V686-F718 HydrophobicContact CG2-CE1 3.97Å; V686-V721 HydrophobicContact CG2-CG2 4.29Å; V686-L749 HydrophobicContact CG1-CB 3.94Å; V686-L749 HydrophobicContact CG1-CD2 3.9Å; V686-L749 HydrophobicContact CG1-CG 3.81Å; V686-L750 HydrophobicContact CB-CB 4.49Å; V686-L750 HydrophobicContact CG1-CB 4.01Å; V686-F761 HydrophobicContact CG1-CE1 4.47Å; V686-F761 HydrophobicContact CG1-CZ 3.72Å; V686-F761 HydrophobicContact CG2-CE2 4.02Å; V686-F761 HydrophobicContact CG2-CZ 3.96Å
687	M	97.8	Very high	97.6	Very high	23 Å²	23	19.9 Å²	19.9	11%	0.113	12%	0.117	C	C	.	.	H	α-helix	trans	-68	-31	175.5	-168.3	125.4	51.3	0	0	112.7	R610 N683 E684 A685 L689 Q690 E691 C747	R610-M687 VanDerWaalsContact NH2-CG 3.34Å; N683-M687 VanDerWaalsContact O-CB 3.29Å; N683-M687 WeakPolarHBondContact O-CB 3.3Å; N683-M687 PolarHBondContact O-N 2.7Å; E684-M687 CarbonylContact O-C 3.41Å; E684-M687 PolarHBondContact O-N 2.76Å; A685-M687 VanDerWaalsContact C-N 3.32Å; A685-M687 PolarHBondContact O-N 2.76Å; M687-L689 VanDerWaalsContact C-N 3.25Å; M687-L689 PolarHBondContact O-N 2.86Å; M687-Q690 WeakPolarHBondContact O-CB 3.41Å; M687-Q690 PolarHBondContact O-N 2.89Å; M687-E691 HydrophobicContact CG-CG 4.25Å; M687-E691 WeakPolarHBondContact CG-OE1 3.45Å; M687-E691 WeakPolarHBondContact O-CB 3.47Å; M687-E691 WeakPolarHBondContact O-CG 3.49Å; M687-E691 PolarHBondContact O-N 3.25Å; M687-C747 HydrophobicContact CB-CB 3.82Å; M687-C747 HydrophobicContact CE-CB 3.47Å; M687-C747 VanDerWaalsContact CE-CB 3.47Å; M687-C747 HydrophobicContact CG-CB 4.1Å; M687-C747 HydrophobicContact SD-CB 3.38Å; M687-C747 WeakPolarHBondContact SD-CB 3.5Å
688	C	98.3	Very high	97.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.2	-25.8	171.4	-67	0	0	0	0	113	Y546 E684 A685 V686 G692 I693 L694	Y546-C688 HydrophobicContact CD2-CB 3.76Å; Y546-C688 HydrophobicContact CE2-CB 4.32Å; E684-C688 PolarHBondContact O-N 2.9Å; E684-C688 PolarHBondContact O-SG 3.44Å; A685-C688 WeakPolarHBondContact O-CB 3.36Å; A685-C688 PolarHBondContact O-N 3Å; V686-C688 VanDerWaalsContact C-N 3.35Å; V686-C688 PolarHBondContact O-N 3.44Å; C688-G692 PolarHBondContact O-N 3.03Å; C688-I693 HydrophobicContact CB-CB 4.43Å; C688-I693 WeakPolarHBondContact O-CB 3.39Å; C688-I693 PolarHBondContact O-N 2.98Å; C688-L694 HydrophobicContact CB-CD1 4.27Å; C688-L694 HydrophobicContact CB-CG 4.3Å; C688-L694 PolarHBondContact O-N 2.67Å
689	L	98.3	Very high	97.6	Very high	34 Å²	34	21.4 Å²	21.4	18%	0.178	13%	0.126	C	C	.	.	H	α-helix	trans	-78.7	-40	169.3	-176.5	67.3	0	0	0	111.5	A685 V686 M687 E691 G692 L694 P697 F718 L749 F761	A685-L689 PolarHBondContact O-N 2.84Å; V686-L689 WeakPolarHBondContact O-CB 3.19Å; V686-L689 PolarHBondContact O-N 3.49Å; V686-L689 VanDerWaalsContact O-N 3.13Å; M687-L689 VanDerWaalsContact C-N 3.25Å; M687-L689 PolarHBondContact O-N 2.86Å; L689-E691 PolarHBondContact O-N 3.29Å; L689-G692 PolarHBondContact O-N 3.23Å; L689-L694 HydrophobicContact CB-CB 4.34Å; L689-L694 HydrophobicContact CB-CD1 4.5Å; L689-L694 HydrophobicContact CD1-CB 4.09Å; L689-P697 HydrophobicContact CD2-CG 3.83Å; L689-F718 HydrophobicContact CB-CE1 3.77Å; L689-F718 HydrophobicContact CB-CZ 3.85Å; L689-F718 HydrophobicContact CD2-CD1 4.14Å; L689-F718 HydrophobicContact CD2-CE1 3.5Å; L689-F718 HydrophobicContact CD2-CZ 4.22Å; L689-F718 HydrophobicContact CG-CE1 4.27Å; L689-L749 HydrophobicContact CB-CD2 4.31Å; L689-L749 HydrophobicContact CD2-CD2 4.17Å; L689-L749 HydrophobicContact CG-CD2 4.22Å; L689-F761 HydrophobicContact CD2-CD1 3.98Å; L689-F761 HydrophobicContact CD2-CE1 3.87Å
690	Q	97.9	Very high	97.6	Very high	81 Å²	81	21.4 Å²	21.4	38%	0.379	13%	0.126	S	C	.	.	H	α-helix	trans	-60.2	-43	175.4	-172.2	-167.1	-70.9	0	0	112.4	V686 M687 G692 Q748 L749	V686-Q690 PolarHBondContact O-N 3.17Å; M687-Q690 WeakPolarHBondContact O-CB 3.41Å; M687-Q690 PolarHBondContact O-N 2.89Å; Q690-G692 PolarHBondContact O-N 3.24Å; Q690-Q748 VanDerWaalsContact OE1-N 3.07Å; Q690-L749 HydrophobicContact CB-CB 3.91Å; Q690-L749 HydrophobicContact CB-CD2 3.99Å; Q690-L749 HydrophobicContact CG-CB 3.99Å
691	E	97.2	Very high	97.6	Very high	83 Å²	83	21.3 Å²	21.3	39%	0.388	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.6	176.2	-65.7	173.2	-152.7	0	0	112.3	R549 R610 M687 L689 I693	R549-E691 IonicContact CZ-OE1 2.8Å; R549-E691 IonicContact CZ-OE2 2.68Å; R549-E691 VanDerWaalsContact CZ-OE2 3.26Å; R549-E691 IonicContact NH1-OE1 2.8Å; R549-E691 IonicContact NH1-OE2 3.58Å; R549-E691 PolarHBondContact NH1-OE2 2.87Å; R549-E691 IonicContact NH2-OE1 3.57Å; R549-E691 PolarHBondContact NH2-OE1 3.5Å; R549-E691 IonicContact NH2-OE2 2.64Å; R549-E691 PolarHBondContact NH2-OE2 3.02Å; R610-E691 IonicContact NH1-OE1 2.76Å; R610-E691 PolarHBondContact NH1-OE1 3.39Å; R610-E691 IonicContact NH2-OE1 3.79Å; M687-E691 HydrophobicContact CG-CG 4.25Å; M687-E691 WeakPolarHBondContact CG-OE1 3.45Å; M687-E691 WeakPolarHBondContact O-CB 3.47Å; M687-E691 WeakPolarHBondContact O-CG 3.49Å; M687-E691 PolarHBondContact O-N 3.25Å; L689-E691 PolarHBondContact O-N 3.29Å; E691-I693 VanDerWaalsContact C-N 3.27Å; E691-I693 PolarHBondContact O-N 2.65Å
692	G	96.8	Very high	97.6	Very high	22 Å²	22	21.4 Å²	21.4	23%	0.227	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	21.1	177.4	0	0	0	0	0	114.8	K540 C688 L689 Q690	K540-G692 WeakPolarHBondContact CD-O 3.47Å; K540-G692 WeakPolarHBondContact CE-O 3.45Å; K540-G692 WeakPolarHBondContact CG-O 3.17Å; K540-G692 PolarHBondContact NZ-O 2.88Å; C688-G692 PolarHBondContact O-N 3.03Å; L689-G692 PolarHBondContact O-N 3.23Å; Q690-G692 PolarHBondContact O-N 3.24Å
693	I	97	Very high	97.6	Very high	13 Å²	13	21.4 Å²	21.4	7%	0.067	13%	0.127	C	C	.	.	S	Bend	trans	-69.3	-47.9	169.4	-67.1	174.5	0	0	0	109	V539 K540 C688 E691	V539-I693 CarbonylContact C-O 3.57Å; V539-I693 VanDerWaalsContact CA-O 3.24Å; V539-I693 WeakPolarHBondContact CA-O 3.37Å; V539-I693 HydrophobicContact CB-CG2 4.09Å; K540-I693 PolarHBondContact N-O 2.65Å; C688-I693 HydrophobicContact CB-CB 4.43Å; C688-I693 WeakPolarHBondContact O-CB 3.39Å; C688-I693 PolarHBondContact O-N 2.98Å; E691-I693 VanDerWaalsContact C-N 3.27Å; E691-I693 PolarHBondContact O-N 2.65Å
694	L	97.6	Very high	97.6	Very high	4 Å²	4	21 Å²	21	2%	0.021	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-78.2	134.1	166.5	-77.8	174.8	0	0	0	110.5	V539 Y546 C688 L689 F718	V539-L694 HydrophobicContact CG1-CD2 4.15Å; Y546-L694 HydrophobicContact CD1-CD2 3.86Å; Y546-L694 HydrophobicContact CD2-CD1 3.71Å; Y546-L694 HydrophobicContact CD2-CD2 4.04Å; Y546-L694 HydrophobicContact CD2-CG 3.78Å; Y546-L694 HydrophobicContact CE1-CD2 4.2Å; Y546-L694 HydrophobicContact CE2-CD1 3.52Å; Y546-L694 HydrophobicContact CE2-CD2 4.36Å; Y546-L694 HydrophobicContact CE2-CG 4.11Å; Y546-L694 HydrophobicContact CG-CD1 4.31Å; Y546-L694 HydrophobicContact CG-CD2 3.78Å; Y546-L694 HydrophobicContact CG-CG 4.01Å; C688-L694 HydrophobicContact CB-CD1 4.27Å; C688-L694 HydrophobicContact CB-CG 4.3Å; C688-L694 PolarHBondContact O-N 2.67Å; L689-L694 HydrophobicContact CB-CB 4.34Å; L689-L694 HydrophobicContact CB-CD1 4.5Å; L689-L694 HydrophobicContact CD1-CB 4.09Å; L694-F718 HydrophobicContact CD1-CE2 3.61Å; L694-F718 HydrophobicContact CD1-CZ 3.53Å
695	A	93.2	Very high	97.6	Very high	59 Å²	59	21.5 Å²	21.5	49%	0.488	13%	0.128	S	C	.	.	S	Bend	trans	-81.8	-27.2	173.2	0	0	0	0	0	113.6
696	T	97.1	Very high	97.4	Very high	52 Å²	52	24 Å²	24	32%	0.319	14%	0.139	S	C	.	.			trans	-149.8	152.8	-179.6	61.8	0	0	0	0	111.8	A698 E699 G700	T696-A698 PolarHBondContact O-N 3.21Å; T696-E699 PolarHBondContact O-N 3.19Å; T696-E699 WeakPolarHBondContact OG1-CB 3.29Å; T696-E699 WeakPolarHBondContact OG1-CG 3.41Å; T696-E699 PolarHBondContact OG1-N 3.41Å; T696-E699 VanDerWaalsContact OG1-N 3.1Å; T696-E699 PolarHBondContact OG1-OE1 2.94Å; T696-G700 PolarHBondContact O-N 3.08Å
697	P	97.6	Very high	97.1	Very high	27 Å²	27	24.8 Å²	24.8	18%	0.175	15%	0.147	C	C	.	.	H	α-helix	trans	-56.4	-34.4	168.4	-23.4	32	0	0	0	113.1	L689 G700 D701 F718 F761 Y762	L689-P697 HydrophobicContact CD2-CG 3.83Å; P697-G700 PolarHBondContact O-N 2.81Å; P697-D701 PolarHBondContact O-N 2.94Å; P697-F718 HydrophobicContact CB-CB 3.92Å; P697-F718 HydrophobicContact CB-CD1 3.97Å; P697-F718 HydrophobicContact CB-CD2 4.33Å; P697-F718 HydrophobicContact CB-CG 3.81Å; P697-F718 WeakPolarHBondContact O-CD2 3.45Å; P697-F761 HydrophobicContact CB-CB 4.01Å; P697-F761 HydrophobicContact CG-CB 4Å; P697-F761 HydrophobicContact CG-CD1 4.06Å; P697-F761 HydrophobicContact CG-CG 4.42Å; P697-Y762 HydrophobicContact CB-CE2 4.34Å
698	A	97.1	Very high	96.9	Very high	16 Å²	16	24.8 Å²	24.8	13%	0.132	15%	0.147	C	C	.	.	H	α-helix	trans	-66.6	-41.8	-179.3	0	0	0	0	0	112.8	T696 G700 I702 Y762	T696-A698 PolarHBondContact O-N 3.21Å; A698-G700 VanDerWaalsContact C-N 3.29Å; A698-I702 WeakPolarHBondContact O-CB 3.33Å; A698-I702 WeakPolarHBondContact O-CG1 3.07Å; A698-I702 PolarHBondContact O-N 3.01Å; A698-I702 VanDerWaalsContact O-N 3.11Å; A698-Y762 WeakPolarHBondContact CA-OH 3.27Å; A698-Y762 HydrophobicContact CB-CE1 4.39Å
699	E	97.5	Very high	96.8	Very high	18 Å²	18	25.5 Å²	25.5	8%	0.084	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-35.6	172.6	-75.4	167.9	-90.2	0	0	111.2	K353 I537 V538 T696 G703	K353-E699 IonicContact NZ-OE1 2.7Å; K353-E699 PolarHBondContact NZ-OE1 3.32Å; K353-E699 IonicContact NZ-OE2 2.8Å; K353-E699 PolarHBondContact NZ-OE2 3.07Å; I537-E699 HydrophobicContact CB-CB 4.28Å; I537-E699 HydrophobicContact CG2-CB 4.22Å; I537-E699 VanDerWaalsContact CG2-O 3.24Å; I537-E699 WeakPolarHBondContact CG2-O 3.46Å; V538-E699 PolarHBondContact N-OE2 3.5Å; T696-E699 PolarHBondContact O-N 3.19Å; T696-E699 WeakPolarHBondContact OG1-CB 3.29Å; T696-E699 WeakPolarHBondContact OG1-CG 3.41Å; T696-E699 PolarHBondContact OG1-N 3.41Å; T696-E699 VanDerWaalsContact OG1-N 3.1Å; T696-E699 PolarHBondContact OG1-OE1 2.94Å; E699-G703 PolarHBondContact O-N 3.35Å
700	G	98.3	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-55.7	173.4	0	0	0	0	0	113.3	Y546 T696 P697 A698 I702 G703 A704	Y546-G700 WeakPolarHBondContact CE1-O 3.47Å; Y546-G700 PolarHBondContact OH-O 3.18Å; T696-G700 PolarHBondContact O-N 3.08Å; P697-G700 PolarHBondContact O-N 2.81Å; A698-G700 VanDerWaalsContact C-N 3.29Å; G700-I702 PolarHBondContact O-N 3.3Å; G700-G703 PolarHBondContact O-N 3.34Å; G700-G703 VanDerWaalsContact O-N 3.09Å; G700-A704 WeakPolarHBondContact O-CB 3.47Å; G700-A704 PolarHBondContact O-N 2.93Å
701	D	98.6	Very high	96.8	Very high	2 Å²	2	20 Å²	20	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-57.1	-39.2	178.7	-78	-20.4	0	0	0	112.3	L342 P697 V705 G716 P717 F718 R719 Y762	L342-D701 HydrophobicContact CD2-CB 4.25Å; P697-D701 PolarHBondContact O-N 2.94Å; D701-V705 WeakPolarHBondContact O-CB 3.03Å; D701-V705 VanDerWaalsContact O-CG2 3.29Å; D701-V705 WeakPolarHBondContact O-CG2 2.8Å; D701-V705 PolarHBondContact O-N 3.42Å; D701-G716 WeakPolarHBondContact OD1-CA 3.48Å; D701-P717 VanDerWaalsContact OD1-CD 3.25Å; D701-P717 WeakPolarHBondContact OD1-CD 3.43Å; D701-F718 WeakPolarHBondContact OD1-CB 3.31Å; D701-F718 WeakPolarHBondContact OD1-CD2 3.29Å; D701-F718 PolarHBondContact OD1-N 3.11Å; D701-R719 PolarHBondContact OD1-N 2.75Å; D701-R719 PolarHBondContact OD2-N 2.93Å; D701-R719 VanDerWaalsContact OD2-N 3.17Å; D701-Y762 WeakPolarHBondContact OD2-CE2 3.19Å; D701-Y762 VanDerWaalsContact OD2-CZ 3.3Å; D701-Y762 PolarHBondContact OD2-OH 2.74Å
702	I	98.3	Very high	96.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-67.7	-42.5	175.7	-67.8	-64	0	0	0	112.1	L342 Q346 C349 L508 V535 I537 A698 G700 F706	L342-I702 HydrophobicContact CD2-CD1 4.06Å; L342-I702 WeakPolarHBondContact O-CD1 3.45Å; Q346-I702 HydrophobicContact CB-CD1 4.04Å; Q346-I702 VanDerWaalsContact N-CD1 3.32Å; C349-I702 HydrophobicContact CB-CG2 4.08Å; L508-I702 HydrophobicContact CD1-CG2 4.49Å; V535-I702 HydrophobicContact CG1-CG2 3.38Å; I537-I702 HydrophobicContact CG2-CB 4.32Å; I537-I702 HydrophobicContact CG2-CG2 3.99Å; A698-I702 WeakPolarHBondContact O-CB 3.33Å; A698-I702 WeakPolarHBondContact O-CG1 3.07Å; A698-I702 PolarHBondContact O-N 3.01Å; A698-I702 VanDerWaalsContact O-N 3.11Å; G700-I702 PolarHBondContact O-N 3.3Å; I702-F706 HydrophobicContact CD1-CD2 3.97Å; I702-F706 HydrophobicContact CD1-CE2 3.67Å; I702-F706 HydrophobicContact CG2-CD2 3.99Å; I702-F706 WeakPolarHBondContact O-CB 3.41Å; I702-F706 WeakPolarHBondContact O-CD2 3.47Å; I702-F706 PolarHBondContact O-N 2.84Å
703	G	97.6	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62	-48.1	175.8	0	0	0	0	0	112.6	E699 G700 V705 G707 L708	E699-G703 PolarHBondContact O-N 3.35Å; G700-G703 PolarHBondContact O-N 3.34Å; G700-G703 VanDerWaalsContact O-N 3.09Å; G703-V705 PolarHBondContact O-N 3.09Å; G703-G707 WeakPolarHBondContact O-CA 3.2Å; G703-G707 PolarHBondContact O-N 2.85Å; G703-L708 PolarHBondContact O-N 2.67Å
704	A	98.1	Very high	96.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-44	178.6	0	0	0	0	0	112.7	F681 G700 L708 G709 F710 P717	F681-A704 HydrophobicContact CE1-CB 3.9Å; F681-A704 HydrophobicContact CZ-CB 3.83Å; G700-A704 WeakPolarHBondContact O-CB 3.47Å; G700-A704 PolarHBondContact O-N 2.93Å; A704-L708 CarbonylContact O-C 3.54Å; A704-L708 WeakPolarHBondContact O-CA 3.31Å; A704-L708 WeakPolarHBondContact O-CB 3.46Å; A704-L708 PolarHBondContact O-N 3.42Å; A704-G709 PolarHBondContact O-N 2.77Å; A704-F710 HydrophobicContact CB-CB 3.89Å; A704-F710 HydrophobicContact CB-CG 4.43Å; A704-F710 WeakPolarHBondContact O-CB 3.44Å; A704-F710 PolarHBondContact O-N 3.13Å; A704-P717 HydrophobicContact CB-CG 3.83Å
705	V	97.9	Very high	96.7	Very high	17 Å²	17	18.1 Å²	18.1	10%	0.103	12%	0.118	C	C	.	.	H	α-helix	trans	-79.2	-44.9	-176.4	175.6	0	0	0	0	112.4	L342 D701 G703 F710 P712	L342-V705 HydrophobicContact CD1-CG1 4.13Å; L342-V705 HydrophobicContact CD1-CG2 4.11Å; L342-V705 HydrophobicContact CD2-CB 4.07Å; L342-V705 HydrophobicContact CD2-CG1 4.4Å; L342-V705 HydrophobicContact CD2-CG2 3.8Å; D701-V705 WeakPolarHBondContact O-CB 3.03Å; D701-V705 VanDerWaalsContact O-CG2 3.29Å; D701-V705 WeakPolarHBondContact O-CG2 2.8Å; D701-V705 PolarHBondContact O-N 3.42Å; G703-V705 PolarHBondContact O-N 3.09Å; V705-F710 HydrophobicContact CG2-CB 4.21Å; V705-F710 HydrophobicContact CG2-CD1 4.36Å; V705-P712 HydrophobicContact CG1-CB 4.2Å; V705-P712 HydrophobicContact CG1-CG 3.92Å
706	F	95.4	Very high	96.9	Very high	52 Å²	52	15.3 Å²	15.3	23%	0.228	10%	0.095	C	C	.	.	H	α-helix	trans	-88.9	-14.5	-175	-70.5	-84.1	0	0	0	114.7	Q346 M506 L508 I702	Q346-F706 HydrophobicContact CG-CE2 4.46Å; Q346-F706 HydrophobicContact CG-CZ 4.4Å; M506-F706 VanDerWaalsContact CE-O 3.29Å; M506-F706 WeakPolarHBondContact CE-O 3.29Å; L508-F706 HydrophobicContact CB-CB 4.25Å; I702-F706 HydrophobicContact CD1-CD2 3.97Å; I702-F706 HydrophobicContact CD1-CE2 3.67Å; I702-F706 HydrophobicContact CG2-CD2 3.99Å; I702-F706 WeakPolarHBondContact O-CB 3.41Å; I702-F706 WeakPolarHBondContact O-CD2 3.47Å; I702-F706 PolarHBondContact O-N 2.84Å
707	G	92.8	Very high	97	Very high	16 Å²	16	12.9 Å²	12.9	17%	0.165	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-56.4	174.4	0	0	0	0	0	112.9	L508 G703	L508-G707 VanDerWaalsContact CD2-CA 3.45Å; G703-G707 WeakPolarHBondContact O-CA 3.2Å; G703-G707 PolarHBondContact O-N 2.85Å
708	L	93.4	Very high	97	Very high	23 Å²	23	11.6 Å²	11.6	12%	0.12	7%	0.072	C	C	.	.	S	Bend	trans	-93.6	-4.6	-170.3	-54.3	176.8	0	0	0	114.2	T547 C550 L551 F681 G703 A704 F710	T547-L708 VanDerWaalsContact O-CD1 3.24Å; T547-L708 WeakPolarHBondContact O-CD1 3.31Å; C550-L708 HydrophobicContact CB-CD1 4.29Å; L551-L708 HydrophobicContact CB-CD1 4.45Å; L551-L708 HydrophobicContact CB-CD2 4.09Å; L551-L708 HydrophobicContact CD1-CD2 4.47Å; L551-L708 HydrophobicContact CD2-CD2 4.16Å; L551-L708 HydrophobicContact CG-CD2 4.47Å; F681-L708 HydrophobicContact CE2-CB 4.04Å; F681-L708 HydrophobicContact CE2-CD1 3.55Å; F681-L708 HydrophobicContact CE2-CG 4.44Å; F681-L708 HydrophobicContact CZ-CB 4.11Å; F681-L708 HydrophobicContact CZ-CD1 3.64Å; G703-L708 PolarHBondContact O-N 2.67Å; A704-L708 CarbonylContact O-C 3.54Å; A704-L708 WeakPolarHBondContact O-CA 3.31Å; A704-L708 WeakPolarHBondContact O-CB 3.46Å; A704-L708 PolarHBondContact O-N 3.42Å; L708-F710 PolarHBondContact O-N 3.03Å
709	G	94.9	Very high	97.1	Very high	16 Å²	16	12.9 Å²	12.9	17%	0.165	7%	0.073	C	C	.	.			trans	70.3	26.2	178.8	0	0	0	0	0	114.4	F580 P581 A704	F580-G709 WeakPolarHBondContact CD1-O 3.39Å; P581-G709 WeakPolarHBondContact CD-O 3.38Å; A704-G709 PolarHBondContact O-N 2.77Å
710	F	97.9	Very high	97.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.			trans	-55.7	138.8	172.2	-170.6	-86.9	0	0	0	110.4	V678 F681 V682 A704 V705 L708 P712 L714 G716 P717 F720	V678-F710 HydrophobicContact CG1-CE2 4.36Å; F681-F710 AromaticContact CD1-CD2 3.64Å; F681-F710 HydrophobicContact CD1-CD2 3.64Å; F681-F710 AromaticContact CD1-CE2 3.84Å; F681-F710 HydrophobicContact CD1-CE2 3.84Å; F681-F710 HydrophobicContact CE1-CB 4.34Å; F681-F710 AromaticContact CE1-CD2 3.36Å; F681-F710 HydrophobicContact CE1-CD2 3.36Å; F681-F710 AromaticContact CE1-CE2 3.97Å; F681-F710 HydrophobicContact CE1-CE2 3.97Å; F681-F710 HydrophobicContact CE1-CG 4.14Å; F681-F710 HydrophobicContact CZ-CB 4.3Å; F681-F710 AromaticContact CZ-CD2 4Å; F681-F710 HydrophobicContact CZ-CD2 4Å; V682-F710 HydrophobicContact CG2-CE2 3.96Å; V682-F710 HydrophobicContact CG2-CZ 4.14Å; A704-F710 HydrophobicContact CB-CB 3.89Å; A704-F710 HydrophobicContact CB-CG 4.43Å; A704-F710 WeakPolarHBondContact O-CB 3.44Å; A704-F710 PolarHBondContact O-N 3.13Å; V705-F710 HydrophobicContact CG2-CB 4.21Å; V705-F710 HydrophobicContact CG2-CD1 4.36Å; L708-F710 PolarHBondContact O-N 3.03Å; F710-P712 VanDerWaalsContact O-CD 3.22Å; F710-P712 WeakPolarHBondContact O-CD 3.35Å; F710-P712 VanDerWaalsContact O-N 3.15Å; F710-L714 HydrophobicContact CE1-CB 3.92Å; F710-L714 HydrophobicContact CE1-CD1 4.34Å; F710-L714 HydrophobicContact CZ-CD1 4.45Å; F710-G716 VanDerWaalsContact CD1-CA 3.43Å; F710-G716 WeakPolarHBondContact CE1-O 3.31Å; F710-P717 HydrophobicContact CE2-CB 4.35Å; F710-P717 HydrophobicContact CZ-CB 4.38Å; F710-F720 HydrophobicContact CE1-CB 4.29Å; F710-F720 HydrophobicContact CZ-CB 4.14Å; F710-F720 HydrophobicContact CZ-CD1 4.46Å; F710-F720 HydrophobicContact CZ-CG 4.34Å
711	P	98	Very high	97.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.071	C	C	.	.			trans	-56	115.9	-169.9	-27.7	34.5	0	0	0	114.1	F578 F580 C713 L714	F578-P711 HydrophobicContact CD1-CG 3.9Å; F578-P711 HydrophobicContact CE1-CG 4.1Å; F580-P711 HydrophobicContact CD2-CG 4.07Å; F580-P711 HydrophobicContact CE2-CG 4.12Å; F580-P711 HydrophobicContact CG-CG 4.31Å; F580-P711 HydrophobicContact CZ-CG 4.41Å; P711-C713 VanDerWaalsContact C-N 3.27Å; P711-C713 PolarHBondContact O-N 3.05Å; P711-L714 HydrophobicContact CB-CD1 3.95Å; P711-L714 HydrophobicContact CB-CG 4.03Å; P711-L714 HydrophobicContact CG-CD1 4.11Å; P711-L714 WeakPolarHBondContact O-CB 3.45Å; P711-L714 PolarHBondContact O-N 3.31Å
712	P	97.2	Very high	96.9	Very high	32 Å²	32	13.3 Å²	13.3	21%	0.208	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-60.6	-31	-177.2	-23.7	29.5	0	0	0	114.7	Y298 L339 L342 V705 F710 L714 G715	Y298-P712 WeakPolarHBondContact OH-CB 3.49Å; Y298-P712 VanDerWaalsContact OH-CD 3.3Å; Y298-P712 WeakPolarHBondContact OH-CD 3.31Å; L339-P712 HydrophobicContact CD2-CB 3.95Å; L342-P712 HydrophobicContact CD1-CB 4.28Å; V705-P712 HydrophobicContact CG1-CB 4.2Å; V705-P712 HydrophobicContact CG1-CG 3.92Å; F710-P712 VanDerWaalsContact O-CD 3.22Å; F710-P712 WeakPolarHBondContact O-CD 3.35Å; F710-P712 VanDerWaalsContact O-N 3.15Å; P712-L714 PolarHBondContact O-N 2.88Å; P712-G715 PolarHBondContact O-N 3.23Å
713	C	96.7	Very high	96.7	Very high	10 Å²	10	15.4 Å²	15.4	7%	0.068	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-61.5	-22	174.2	49.7	0	0	0	0	113.9	Y298 E335 A338 P711	Y298-C713 HydrophobicContact CD1-CB 4.35Å; Y298-C713 HydrophobicContact CE1-CB 3.78Å; Y298-C713 HydrophobicContact CE2-CB 4.25Å; Y298-C713 PolarHBondContact OH-N 2.77Å; E335-C713 HydrophobicContact CG-CB 4.16Å; A338-C713 WeakPolarHBondContact CB-O 3.24Å; P711-C713 VanDerWaalsContact C-N 3.27Å; P711-C713 PolarHBondContact O-N 3.05Å
714	L	97.4	Very high	96.6	Very high	39 Å²	39	18.5 Å²	18.5	20%	0.204	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-91.5	-15.2	174.8	-56.9	-179.6	0	0	0	112.6	F578 F710 P711 P712 F720	F578-L714 HydrophobicContact CD1-CD1 4.43Å; F578-L714 HydrophobicContact CE1-CD1 3.48Å; F578-L714 VanDerWaalsContact CE1-CD1 3.48Å; F578-L714 HydrophobicContact CZ-CD1 3.81Å; F710-L714 HydrophobicContact CE1-CB 3.92Å; F710-L714 HydrophobicContact CE1-CD1 4.34Å; F710-L714 HydrophobicContact CZ-CD1 4.45Å; P711-L714 HydrophobicContact CB-CD1 3.95Å; P711-L714 HydrophobicContact CB-CG 4.03Å; P711-L714 HydrophobicContact CG-CD1 4.11Å; P711-L714 WeakPolarHBondContact O-CB 3.45Å; P711-L714 PolarHBondContact O-N 3.31Å; P712-L714 PolarHBondContact O-N 2.88Å; L714-F720 HydrophobicContact CB-CB 4.33Å; L714-F720 HydrophobicContact CB-CD2 3.95Å; L714-F720 HydrophobicContact CB-CG 4.47Å; L714-F720 HydrophobicContact CD1-CD2 3.84Å; L714-F720 HydrophobicContact CD1-CE2 3.93Å; L714-F720 HydrophobicContact CD2-CD2 3.95Å; L714-F720 HydrophobicContact CD2-CE2 4.08Å; L714-F720 HydrophobicContact CG-CD2 4.12Å; L714-F720 HydrophobicContact CG-CE2 4.48Å; L714-F720 PolarHBondContact O-N 2.81Å
715	G	96.3	Very high	96.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.01	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	5.9	172	0	0	0	0	0	116.2	L342 P712 R719	L342-G715 WeakPolarHBondContact CD2-O 3.43Å; P712-G715 PolarHBondContact O-N 3.23Å; G715-R719 WeakPolarHBondContact O-CB 3.45Å
716	G	98	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	99.6	164.3	-168.3	0	0	0	0	0	112.7	D701 F710 F718 R719 F720	D701-G716 WeakPolarHBondContact OD1-CA 3.48Å; F710-G716 VanDerWaalsContact CD1-CA 3.43Å; F710-G716 WeakPolarHBondContact CE1-O 3.31Å; G716-F718 PolarHBondContact O-N 3.26Å; G716-R719 PolarHBondContact O-N 3.44Å; G716-F720 VanDerWaalsContact O-CB 3.24Å; G716-F720 WeakPolarHBondContact O-CB 3.44Å; G716-F720 PolarHBondContact O-N 3.5Å
717	P	98.4	Very high	96.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-39	-175.5	23.2	-35.2	0	0	0	114.5	F681 V682 A685 D701 A704 F710 F720 V721	F681-P717 HydrophobicContact CD1-CB 4.44Å; F681-P717 HydrophobicContact CE1-CB 4.28Å; F681-P717 HydrophobicContact CE1-CG 4.12Å; V682-P717 HydrophobicContact CB-CB 4.38Å; V682-P717 HydrophobicContact CG1-CB 4.43Å; V682-P717 HydrophobicContact CG2-CB 3.88Å; A685-P717 HydrophobicContact CB-CB 3.82Å; A685-P717 HydrophobicContact CB-CG 3.73Å; D701-P717 VanDerWaalsContact OD1-CD 3.25Å; D701-P717 WeakPolarHBondContact OD1-CD 3.43Å; A704-P717 HydrophobicContact CB-CG 3.83Å; F710-P717 HydrophobicContact CE2-CB 4.35Å; F710-P717 HydrophobicContact CZ-CB 4.38Å; P717-F720 PolarHBondContact O-N 3.09Å; P717-V721 WeakPolarHBondContact O-CG2 3.43Å; P717-V721 PolarHBondContact O-N 3.45Å; P717-V721 VanDerWaalsContact O-N 3.17Å
718	F	98.4	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-73.7	-44.5	-180	-63.1	-88.8	0	0	0	110.9	A685 V686 L689 L694 P697 D701 G716 F720 V721 D722 F761 Y762	A685-F718 HydrophobicContact CB-CE2 4.29Å; A685-F718 HydrophobicContact CB-CZ 4.49Å; A685-F718 WeakPolarHBondContact O-CZ 3.35Å; V686-F718 HydrophobicContact CB-CE1 4.39Å; V686-F718 HydrophobicContact CG2-CD1 4.13Å; V686-F718 HydrophobicContact CG2-CE1 3.97Å; L689-F718 HydrophobicContact CB-CE1 3.77Å; L689-F718 HydrophobicContact CB-CZ 3.85Å; L689-F718 HydrophobicContact CD2-CD1 4.14Å; L689-F718 HydrophobicContact CD2-CE1 3.5Å; L689-F718 HydrophobicContact CD2-CZ 4.22Å; L689-F718 HydrophobicContact CG-CE1 4.27Å; L694-F718 HydrophobicContact CD1-CE2 3.61Å; L694-F718 HydrophobicContact CD1-CZ 3.53Å; P697-F718 HydrophobicContact CB-CB 3.92Å; P697-F718 HydrophobicContact CB-CD1 3.97Å; P697-F718 HydrophobicContact CB-CD2 4.33Å; P697-F718 HydrophobicContact CB-CG 3.81Å; P697-F718 WeakPolarHBondContact O-CD2 3.45Å; D701-F718 WeakPolarHBondContact OD1-CB 3.31Å; D701-F718 WeakPolarHBondContact OD1-CD2 3.29Å; D701-F718 PolarHBondContact OD1-N 3.11Å; G716-F718 PolarHBondContact O-N 3.26Å; F718-F720 VanDerWaalsContact C-N 3.25Å; F718-F720 PolarHBondContact O-N 3.26Å; F718-V721 WeakPolarHBondContact O-CB 3.1Å; F718-V721 PolarHBondContact O-N 2.95Å; F718-D722 PolarHBondContact O-N 2.74Å; F718-F761 HydrophobicContact CB-CB 4.09Å; F718-F761 HydrophobicContact CB-CD2 4.03Å; F718-F761 HydrophobicContact CB-CG 4.1Å; F718-F761 HydrophobicContact CD1-CB 4.45Å; F718-F761 AromaticContact CD1-CD1 3.8Å; F718-F761 HydrophobicContact CD1-CD1 3.8Å; F718-F761 AromaticContact CD1-CD2 3.83Å; F718-F761 HydrophobicContact CD1-CD2 3.83Å; F718-F761 AromaticContact CD1-CE1 3.97Å; F718-F761 HydrophobicContact CD1-CE1 3.97Å; F718-F761 AromaticContact CD1-CE2 3.96Å; F718-F761 HydrophobicContact CD1-CE2 3.96Å; F718-F761 AromaticContact CD1-CG 3.74Å; F718-F761 HydrophobicContact CD1-CG 3.74Å; F718-F761 HydrophobicContact CD1-CZ 4.05Å; F718-F761 HydrophobicContact CE1-CD1 4.42Å; F718-F761 HydrophobicContact CE1-CE1 4.28Å; F718-F761 HydrophobicContact CE1-CZ 4.44Å; F718-F761 HydrophobicContact CG-CD2 4.44Å; F718-F761 HydrophobicContact CG-CG 4.41Å; F718-Y762 HydrophobicContact CB-CE2 4.24Å
719	R	97.6	Very high	96.8	Very high	44 Å²	44	25.1 Å²	25.1	17%	0.166	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-34.2	173.2	-173.3	58.1	63.5	166.6	10.5	112.3	A338 D701 G715 G716 D722 L723 Y762	A338-R719 HydrophobicContact CB-CG 4.42Å; D701-R719 PolarHBondContact OD1-N 2.75Å; D701-R719 PolarHBondContact OD2-N 2.93Å; D701-R719 VanDerWaalsContact OD2-N 3.17Å; G715-R719 WeakPolarHBondContact O-CB 3.45Å; G716-R719 PolarHBondContact O-N 3.44Å; R719-D722 PolarHBondContact O-N 3.5Å; R719-L723 HydrophobicContact CG-CD1 3.76Å; R719-L723 HydrophobicContact CG-CG 4.21Å; R719-L723 WeakPolarHBondContact O-CB 3.14Å; R719-L723 WeakPolarHBondContact O-CG 3.47Å; R719-L723 PolarHBondContact O-N 3.38Å; R719-Y762 HydrophobicContact CB-CE2 4.19Å
720	F	98	Very high	96.9	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.026	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-41.5	174.7	178.7	-114.8	0	0	0	111.9	F675 V678 V682 F710 L714 G716 P717 F718 D722 L723 Y724 I729	F675-F720 HydrophobicContact CE1-CZ 4.02Å; V678-F720 HydrophobicContact CG1-CE1 3.95Å; V678-F720 HydrophobicContact CG1-CZ 4.42Å; V682-F720 HydrophobicContact CG2-CD1 3.97Å; V682-F720 HydrophobicContact CG2-CE1 4.49Å; F710-F720 HydrophobicContact CE1-CB 4.29Å; F710-F720 HydrophobicContact CZ-CB 4.14Å; F710-F720 HydrophobicContact CZ-CD1 4.46Å; F710-F720 HydrophobicContact CZ-CG 4.34Å; L714-F720 HydrophobicContact CB-CB 4.33Å; L714-F720 HydrophobicContact CB-CD2 3.95Å; L714-F720 HydrophobicContact CB-CG 4.47Å; L714-F720 HydrophobicContact CD1-CD2 3.84Å; L714-F720 HydrophobicContact CD1-CE2 3.93Å; L714-F720 HydrophobicContact CD2-CD2 3.95Å; L714-F720 HydrophobicContact CD2-CE2 4.08Å; L714-F720 HydrophobicContact CG-CD2 4.12Å; L714-F720 HydrophobicContact CG-CE2 4.48Å; L714-F720 PolarHBondContact O-N 2.81Å; G716-F720 VanDerWaalsContact O-CB 3.24Å; G716-F720 WeakPolarHBondContact O-CB 3.44Å; G716-F720 PolarHBondContact O-N 3.5Å; P717-F720 PolarHBondContact O-N 3.09Å; F718-F720 VanDerWaalsContact C-N 3.25Å; F718-F720 PolarHBondContact O-N 3.26Å; F720-D722 VanDerWaalsContact C-N 3.32Å; F720-D722 PolarHBondContact O-N 3.15Å; F720-L723 PolarHBondContact O-N 3Å; F720-Y724 AromaticContact CE2-CD2 3.91Å; F720-Y724 HydrophobicContact CE2-CD2 3.91Å; F720-Y724 AromaticContact CE2-CG 3.93Å; F720-Y724 HydrophobicContact CE2-CG 3.93Å; F720-Y724 HydrophobicContact CZ-CD1 4.34Å; F720-Y724 HydrophobicContact CZ-CD2 4.03Å; F720-Y724 AromaticContact CZ-CG 3.89Å; F720-Y724 HydrophobicContact CZ-CG 3.89Å; F720-Y724 WeakPolarHBondContact O-CB 3.37Å; F720-Y724 PolarHBondContact O-N 3.44Å; F720-I729 HydrophobicContact CD1-CD1 3.74Å; F720-I729 HydrophobicContact CE1-CD1 3.74Å; F720-I729 HydrophobicContact CE1-CG1 4.34Å
721	V	97.6	Very high	96.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-56.4	-46.3	172.1	176.4	0	0	0	0	111.1	V682 V686 P717 F718 L723 G725 A726 I729 L750 F761	V682-V721 HydrophobicContact CG1-CG2 3.69Å; V686-V721 HydrophobicContact CG2-CG2 4.29Å; P717-V721 WeakPolarHBondContact O-CG2 3.43Å; P717-V721 PolarHBondContact O-N 3.45Å; P717-V721 VanDerWaalsContact O-N 3.17Å; F718-V721 WeakPolarHBondContact O-CB 3.1Å; F718-V721 PolarHBondContact O-N 2.95Å; V721-L723 PolarHBondContact O-N 3.47Å; V721-G725 CarbonylContact O-C 3.53Å; V721-G725 VanDerWaalsContact O-CA 3.22Å; V721-G725 WeakPolarHBondContact O-CA 3.28Å; V721-G725 PolarHBondContact O-N 2.88Å; V721-A726 HydrophobicContact CG1-CB 3.62Å; V721-A726 PolarHBondContact O-N 2.69Å; V721-I729 HydrophobicContact CB-CD1 4.24Å; V721-I729 HydrophobicContact CG2-CD1 3.79Å; V721-L750 HydrophobicContact CG1-CD1 4.03Å; V721-L750 HydrophobicContact CG2-CD1 3.96Å; V721-F761 HydrophobicContact CB-CD2 4.14Å; V721-F761 HydrophobicContact CB-CE2 3.99Å; V721-F761 HydrophobicContact CG1-CD2 4.22Å; V721-F761 HydrophobicContact CG1-CE2 3.83Å; V721-F761 HydrophobicContact CG2-CE2 4.2Å
722	D	95.9	Very high	96.9	Very high	22 Å²	22	30.1 Å²	30.1	12%	0.118	15%	0.152	C	C	.	.	H	α-helix	trans	-70.8	-26.7	-178.7	-72	-9.2	0	0	0	114.3	F718 R719 F720 K760 F761 Y762	F718-D722 PolarHBondContact O-N 2.74Å; R719-D722 PolarHBondContact O-N 3.5Å; F720-D722 VanDerWaalsContact C-N 3.32Å; F720-D722 PolarHBondContact O-N 3.15Å; D722-K760 VanDerWaalsContact OD1-CA 3.27Å; D722-K760 WeakPolarHBondContact OD1-CA 3.37Å; D722-K760 WeakPolarHBondContact OD1-CB 3Å; D722-F761 PolarHBondContact OD1-N 3.34Å; D722-F761 PolarHBondContact OD2-N 2.63Å; D722-F761 VanDerWaalsContact OD2-N 3.1Å; D722-Y762 WeakPolarHBondContact OD2-CD2 3.44Å; D722-Y762 PolarHBondContact OD2-N 3.43Å
723	L	93.5	Very high	96.9	Very high	45 Å²	45	28.6 Å²	28.6	24%	0.236	14%	0.142	C	C	.	.	H	α-helix	trans	-101	-26.9	-175.5	-68.8	-178.3	0	0	0	115	K334 A338 R719 F720 V721	K334-L723 PolarHBondContact NZ-O 3.06Å; A338-L723 HydrophobicContact CB-CD1 4.04Å; R719-L723 HydrophobicContact CG-CD1 3.76Å; R719-L723 HydrophobicContact CG-CG 4.21Å; R719-L723 WeakPolarHBondContact O-CB 3.14Å; R719-L723 WeakPolarHBondContact O-CG 3.47Å; R719-L723 PolarHBondContact O-N 3.38Å; F720-L723 PolarHBondContact O-N 3Å; V721-L723 PolarHBondContact O-N 3.47Å
724	Y	94.8	Very high	97	Very high	64 Å²	64	33.2 Å²	33.2	25%	0.251	16%	0.161	S	C	.	.	H	α-helix	trans	-90.1	-37.5	172.8	-170.4	-96.8	0	0	0	111.1	F675 F720 K728 I729 R732	F675-Y724 HydrophobicContact CE1-CE1 4.03Å; F675-Y724 AromaticContact CE1-CE2 4Å; F675-Y724 HydrophobicContact CE1-CE2 4Å; F675-Y724 AromaticContact CE1-CZ 3.6Å; F675-Y724 HydrophobicContact CZ-CE1 4.49Å; F675-Y724 AromaticContact CZ-CE2 3.7Å; F675-Y724 HydrophobicContact CZ-CE2 3.7Å; F675-Y724 AromaticContact CZ-CZ 3.62Å; F675-Y724 WeakPolarHBondContact CZ-OH 3.25Å; F720-Y724 AromaticContact CE2-CD2 3.91Å; F720-Y724 HydrophobicContact CE2-CD2 3.91Å; F720-Y724 AromaticContact CE2-CG 3.93Å; F720-Y724 HydrophobicContact CE2-CG 3.93Å; F720-Y724 HydrophobicContact CZ-CD1 4.34Å; F720-Y724 HydrophobicContact CZ-CD2 4.03Å; F720-Y724 AromaticContact CZ-CG 3.89Å; F720-Y724 HydrophobicContact CZ-CG 3.89Å; F720-Y724 WeakPolarHBondContact O-CB 3.37Å; F720-Y724 PolarHBondContact O-N 3.44Å; Y724-K728 HydrophobicContact CD1-CB 3.85Å; Y724-K728 HydrophobicContact CE1-CB 3.52Å; Y724-K728 HydrophobicContact CE1-CD 4.33Å; Y724-I729 HydrophobicContact CD1-CD1 4.38Å; Y724-I729 HydrophobicContact CD1-CG1 3.72Å; Y724-I729 HydrophobicContact CE1-CG1 4.3Å; Y724-R732 PolarHBondContact OH-NE 3.19Å
725	G	95.3	Very high	97	Very high	26 Å²	26	35.4 Å²	35.4	27%	0.268	17%	0.169	S	C	.	.			trans	108.7	120.4	178.2	0	0	0	0	0	112.1	V721 Q727 K728 I729	V721-G725 CarbonylContact O-C 3.53Å; V721-G725 VanDerWaalsContact O-CA 3.22Å; V721-G725 WeakPolarHBondContact O-CA 3.28Å; V721-G725 PolarHBondContact O-N 2.88Å; G725-Q727 VanDerWaalsContact C-N 3.32Å; G725-Q727 PolarHBondContact O-N 2.75Å; G725-K728 PolarHBondContact O-N 3.2Å; G725-I729 PolarHBondContact O-N 3.1Å
726	A	96.1	Very high	97.1	Very high	14 Å²	14	35.3 Å²	35.3	12%	0.116	17%	0.168	C	C	.	.	H	α-helix	trans	-51	-45.7	-176.6	0	0	0	0	0	113.7	V721 K728 I729 V730 H753 A754	V721-A726 HydrophobicContact CG1-CB 3.62Å; V721-A726 PolarHBondContact O-N 2.69Å; A726-K728 VanDerWaalsContact C-N 3.34Å; A726-K728 PolarHBondContact O-N 2.62Å; A726-I729 PolarHBondContact O-N 3.15Å; A726-I729 VanDerWaalsContact O-N 3.1Å; A726-V730 PolarHBondContact O-N 3.34Å; A726-H753 HydrophobicContact CB-CB 3.93Å; A726-A754 HydrophobicContact CB-CB 4.3Å
727	Q	96.8	Very high	97	Very high	81 Å²	81	38 Å²	38	38%	0.379	18%	0.181	S	C	.	.	H	α-helix	trans	-53.8	-48	177.2	-172.1	62	53.8	0	0	112.1	G725 I729 V730 D731 A754	G725-Q727 VanDerWaalsContact C-N 3.32Å; G725-Q727 PolarHBondContact O-N 2.75Å; Q727-I729 PolarHBondContact O-N 3.11Å; Q727-V730 CarbonylContact O-C 3.37Å; Q727-V730 PolarHBondContact O-N 3.49Å; Q727-V730 VanDerWaalsContact O-N 3.08Å; Q727-D731 PolarHBondContact NE2-OD1 3.02Å; Q727-D731 PolarHBondContact O-N 3.39Å; Q727-D731 VanDerWaalsContact O-OD2 3.11Å; Q727-A754 HydrophobicContact CB-CB 4.4Å; Q727-A754 PolarHBondContact OE1-O 2.74Å
728	K	96.8	Very high	96.9	Very high	125 Å²	125	42.4 Å²	42.4	54%	0.543	22%	0.217	S	C	.	.	H	α-helix	trans	-65.9	-26.4	-178.9	-59.7	-173.6	-177.9	-179.9	0	113.5	Y724 G725 A726 R732	Y724-K728 HydrophobicContact CD1-CB 3.85Å; Y724-K728 HydrophobicContact CE1-CB 3.52Å; Y724-K728 HydrophobicContact CE1-CD 4.33Å; G725-K728 PolarHBondContact O-N 3.2Å; A726-K728 VanDerWaalsContact C-N 3.34Å; A726-K728 PolarHBondContact O-N 2.62Å; K728-R732 WeakPolarHBondContact O-CG 3.47Å; K728-R732 PolarHBondContact O-N 3.19Å
729	I	97.3	Very high	96.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-75.3	-43.3	173.5	-60	-177.2	0	0	0	109.6	T679 V682 F720 V721 Y724 G725 A726 Q727 R732 L733 L750	T679-I729 HydrophobicContact CG2-CG2 4.29Å; V682-I729 HydrophobicContact CG1-CD1 4.43Å; F720-I729 HydrophobicContact CD1-CD1 3.74Å; F720-I729 HydrophobicContact CE1-CD1 3.74Å; F720-I729 HydrophobicContact CE1-CG1 4.34Å; V721-I729 HydrophobicContact CB-CD1 4.24Å; V721-I729 HydrophobicContact CG2-CD1 3.79Å; Y724-I729 HydrophobicContact CD1-CD1 4.38Å; Y724-I729 HydrophobicContact CD1-CG1 3.72Å; Y724-I729 HydrophobicContact CE1-CG1 4.3Å; G725-I729 PolarHBondContact O-N 3.1Å; A726-I729 PolarHBondContact O-N 3.15Å; A726-I729 VanDerWaalsContact O-N 3.1Å; Q727-I729 PolarHBondContact O-N 3.11Å; I729-R732 PolarHBondContact O-N 2.82Å; I729-L733 HydrophobicContact CG2-CD1 4.06Å; I729-L733 WeakPolarHBondContact O-CB 3.21Å; I729-L733 WeakPolarHBondContact O-CG 3.39Å; I729-L733 PolarHBondContact O-N 3.36Å; I729-L750 HydrophobicContact CG2-CD2 4.1Å
730	V	97.9	Very high	96.4	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-40	174.5	168.9	0	0	0	0	112	A726 Q727 L733 K734 P746 L750 A754	A726-V730 PolarHBondContact O-N 3.34Å; Q727-V730 CarbonylContact O-C 3.37Å; Q727-V730 PolarHBondContact O-N 3.49Å; Q727-V730 VanDerWaalsContact O-N 3.08Å; V730-L733 PolarHBondContact O-N 2.89Å; V730-K734 HydrophobicContact CG1-CD 4.11Å; V730-K734 WeakPolarHBondContact O-CB 3.38Å; V730-K734 WeakPolarHBondContact O-CG 3.44Å; V730-K734 PolarHBondContact O-N 3.37Å; V730-P746 HydrophobicContact CG1-CG 4.28Å; V730-P746 HydrophobicContact CG2-CB 4.16Å; V730-L750 HydrophobicContact CG2-CG 3.92Å; V730-A754 HydrophobicContact CB-CB 4.01Å; V730-A754 HydrophobicContact CG1-CB 4.44Å; V730-A754 HydrophobicContact CG2-CB 3.63Å
731	D	97.8	Very high	96.1	Very high	78 Å²	78	44 Å²	44	42%	0.417	24%	0.237	S	C	.	.	H	α-helix	trans	-64.8	-42.3	177.3	-59.4	-29.2	0	0	0	111.4	Q727 K734 K735	Q727-D731 PolarHBondContact NE2-OD1 3.02Å; Q727-D731 PolarHBondContact O-N 3.39Å; Q727-D731 VanDerWaalsContact O-OD2 3.11Å; D731-K734 PolarHBondContact O-N 2.94Å; D731-K735 PolarHBondContact O-N 2.85Å
732	R	97.6	Very high	95.6	Very high	40 Å²	40	50.3 Å²	50.3	15%	0.151	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-43.2	173.6	-78.6	-171.5	178.5	-86	0.6	112.2	E671 D672 T679 Y724 K728 I729 K734 K735 Y736	E671-R732 IonicContact OE1-CZ 2.78Å; E671-R732 IonicContact OE1-NH2 3.7Å; E671-R732 PolarHBondContact OE1-NH2 2.83Å; E671-R732 IonicContact OE2-CZ 3.65Å; E671-R732 IonicContact OE2-NH1 2.88Å; E671-R732 IonicContact OE2-NH2 3.72Å; E671-R732 PolarHBondContact OE2-NH2 3.01Å; D672-R732 IonicContact OD1-NH1 3.18Å; T679-R732 HydrophobicContact CG2-CB 4.33Å; Y724-R732 PolarHBondContact OH-NE 3.19Å; K728-R732 WeakPolarHBondContact O-CG 3.47Å; K728-R732 PolarHBondContact O-N 3.19Å; I729-R732 PolarHBondContact O-N 2.82Å; R732-K734 VanDerWaalsContact C-N 3.34Å; R732-K734 PolarHBondContact O-N 3.39Å; R732-K735 WeakPolarHBondContact O-CB 3.32Å; R732-K735 PolarHBondContact O-N 3.3Å; R732-K735 VanDerWaalsContact O-N 3.16Å; R732-Y736 HydrophobicContact CB-CE2 3.9Å; R732-Y736 PolarHBondContact NH1-OH 3.06Å; R732-Y736 VanDerWaalsContact NH1-OH 3.13Å; R732-Y736 WeakPolarHBondContact O-CD2 3.26Å; R732-Y736 WeakPolarHBondContact O-CE2 3.44Å; R732-Y736 PolarHBondContact O-N 3.32Å
733	L	97.8	Very high	95.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56	-48.7	174	-81.7	168.6	0	0	0	110.9	T679 N683 I729 V730 K735 Y736 E737 F744 P746 L750	T679-L733 HydrophobicContact CG2-CG 4.49Å; N683-L733 HydrophobicContact CB-CD1 4.2Å; N683-L733 HydrophobicContact CB-CD2 4.35Å; I729-L733 HydrophobicContact CG2-CD1 4.06Å; I729-L733 WeakPolarHBondContact O-CB 3.21Å; I729-L733 WeakPolarHBondContact O-CG 3.39Å; I729-L733 PolarHBondContact O-N 3.36Å; V730-L733 PolarHBondContact O-N 2.89Å; L733-K735 VanDerWaalsContact C-N 3.35Å; L733-K735 PolarHBondContact O-N 3.12Å; L733-Y736 PolarHBondContact O-N 3.21Å; L733-Y736 VanDerWaalsContact O-N 3.14Å; L733-E737 WeakPolarHBondContact O-CB 3.36Å; L733-E737 PolarHBondContact O-N 3.09Å; L733-F744 WeakPolarHBondContact CB-O 3.31Å; L733-F744 HydrophobicContact CD2-CB 4.31Å; L733-F744 WeakPolarHBondContact CD2-O 3.4Å; L733-P746 HydrophobicContact CD1-CB 3.96Å; L733-L750 HydrophobicContact CD1-CD2 3.54Å
734	K	97.8	Very high	95.6	Very high	108 Å²	108	48.8 Å²	48.8	47%	0.47	26%	0.255	S	S	.	.	H	α-helix	trans	-61.7	-36.3	175.2	-73.4	175.8	178.1	-179.7	0	113.4	V730 D731 R732 E737 A738	V730-K734 HydrophobicContact CG1-CD 4.11Å; V730-K734 WeakPolarHBondContact O-CB 3.38Å; V730-K734 WeakPolarHBondContact O-CG 3.44Å; V730-K734 PolarHBondContact O-N 3.37Å; D731-K734 PolarHBondContact O-N 2.94Å; R732-K734 VanDerWaalsContact C-N 3.34Å; R732-K734 PolarHBondContact O-N 3.39Å; K734-E737 PolarHBondContact O-N 3.31Å; K734-A738 WeakPolarHBondContact O-CB 3.5Å; K734-A738 PolarHBondContact O-N 2.87Å
735	K	97.7	Very high	95.7	Very high	84 Å²	84	48.5 Å²	48.5	37%	0.365	26%	0.26	S	S	.	.	H	α-helix	trans	-59.9	-45.1	172.5	-172	-164.8	175.3	-166	0	111.3	E666 V667 D672 D731 R732 L733	E666-K735 WeakPolarHBondContact O-CE 3.09Å; E666-K735 PolarHBondContact O-NZ 3.32Å; V667-K735 HydrophobicContact CG1-CD 4.16Å; V667-K735 HydrophobicContact CG1-CG 4.06Å; D672-K735 IonicContact OD1-NZ 3.88Å; D672-K735 PolarHBondContact OD1-NZ 3.42Å; D672-K735 IonicContact OD2-NZ 3.61Å; D672-K735 PolarHBondContact OD2-NZ 2.88Å; D731-K735 PolarHBondContact O-N 2.85Å; R732-K735 WeakPolarHBondContact O-CB 3.32Å; R732-K735 PolarHBondContact O-N 3.3Å; R732-K735 VanDerWaalsContact O-N 3.16Å; L733-K735 VanDerWaalsContact C-N 3.35Å; L733-K735 PolarHBondContact O-N 3.12Å
736	Y	97.3	Very high	95.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-75.3	-32.4	179.4	-54.1	-43.8	0	0	0	112.3	V667 D672 F675 R676 R732 L733 A739 Y740 F744	V667-Y736 HydrophobicContact CB-CD1 3.93Å; V667-Y736 HydrophobicContact CB-CE1 4.1Å; V667-Y736 HydrophobicContact CG1-CD1 3.55Å; V667-Y736 HydrophobicContact CG1-CE1 3.82Å; D672-Y736 HydrophobicContact CB-CE1 3.91Å; D672-Y736 WeakPolarHBondContact OD1-CE1 3.23Å; D672-Y736 PolarHBondContact OD1-OH 2.91Å; F675-Y736 HydrophobicContact CB-CE2 3.94Å; F675-Y736 WeakPolarHBondContact CB-OH 3.38Å; R676-Y736 HydrophobicContact CG-CD1 3.68Å; R676-Y736 HydrophobicContact CG-CD2 4.15Å; R676-Y736 HydrophobicContact CG-CE1 3.91Å; R676-Y736 HydrophobicContact CG-CE2 4.34Å; R676-Y736 HydrophobicContact CG-CG 3.87Å; R732-Y736 HydrophobicContact CB-CE2 3.9Å; R732-Y736 PolarHBondContact NH1-OH 3.06Å; R732-Y736 VanDerWaalsContact NH1-OH 3.13Å; R732-Y736 WeakPolarHBondContact O-CD2 3.26Å; R732-Y736 WeakPolarHBondContact O-CE2 3.44Å; R732-Y736 PolarHBondContact O-N 3.32Å; L733-Y736 PolarHBondContact O-N 3.21Å; L733-Y736 VanDerWaalsContact O-N 3.14Å; Y736-A739 PolarHBondContact O-N 2.89Å; Y736-Y740 WeakPolarHBondContact O-CB 3.2Å; Y736-Y740 PolarHBondContact O-N 2.91Å; Y736-F744 VanDerWaalsContact CB-CG 3.45Å; Y736-F744 HydrophobicContact CD2-CD1 4.1Å; Y736-F744 HydrophobicContact CD2-CE1 4.29Å; Y736-F744 HydrophobicContact CG-CD1 4.07Å; Y736-F744 HydrophobicContact CG-CE1 4.16Å
737	E	96.7	Very high	95.8	Very high	55 Å²	55	47.8 Å²	47.8	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-41	173.3	-178.6	175.6	-153.9	0	0	112	L733 K734 A739 G741 F744 T745	L733-E737 WeakPolarHBondContact O-CB 3.36Å; L733-E737 PolarHBondContact O-N 3.09Å; K734-E737 PolarHBondContact O-N 3.31Å; E737-A739 VanDerWaalsContact C-N 3.28Å; E737-A739 PolarHBondContact O-N 3.4Å; E737-G741 WeakPolarHBondContact O-CA 3.24Å; E737-G741 PolarHBondContact O-N 3.11Å; E737-F744 HydrophobicContact CB-CB 4.04Å; E737-T745 WeakPolarHBondContact OE1-CA 3.32Å; E737-T745 VanDerWaalsContact OE1-CB 3.26Å; E737-T745 WeakPolarHBondContact OE1-CB 3.42Å; E737-T745 WeakPolarHBondContact OE1-CG2 3.43Å; E737-T745 PolarHBondContact OE1-OG1 2.98Å
738	A	95.9	Very high	95.9	Very high	93 Å²	93	49.4 Å²	49.4	77%	0.769	26%	0.257	S	S	*	.	H	α-helix	trans	-64	-30.6	175.4	0	0	0	0	0	113.4	K734	K734-A738 WeakPolarHBondContact O-CB 3.5Å; K734-A738 PolarHBondContact O-N 2.87Å
739	A	94	Very high	95.9	Very high	16 Å²	16	45.2 Å²	45.2	13%	0.132	24%	0.24	C	C	.	.	H	α-helix	trans	-91.2	-30.6	-178.5	0	0	0	0	0	114.2	E666 V667 Y736 E737	E666-A739 HydrophobicContact CG-CB 4.21Å; V667-A739 HydrophobicContact CB-CB 4.49Å; V667-A739 HydrophobicContact CG1-CB 4.04Å; V667-A739 HydrophobicContact CG2-CB 3.63Å; Y736-A739 PolarHBondContact O-N 2.89Å; E737-A739 VanDerWaalsContact C-N 3.28Å; E737-A739 PolarHBondContact O-N 3.4Å
740	Y	92.4	Very high	95.9	Very high	36 Å²	36	45.1 Å²	45.1	14%	0.141	24%	0.24	C	C	.	.	H	α-helix	trans	-131.7	1.1	-170	-66.7	-59.7	0	0	0	115.3	E564 K664 V667 R676 Y736 F744	E564-Y740 PolarHBondContact OE1-OH 3.01Å; E564-Y740 PolarHBondContact OE2-OH 2.81Å; K664-Y740 HydrophobicContact CB-CE1 4.26Å; K664-Y740 WeakPolarHBondContact CB-OH 3.48Å; K664-Y740 HydrophobicContact CG-CD1 4.32Å; K664-Y740 HydrophobicContact CG-CE1 3.51Å; V667-Y740 HydrophobicContact CB-CE2 4.37Å; V667-Y740 HydrophobicContact CG2-CD2 4.16Å; V667-Y740 HydrophobicContact CG2-CE2 3.37Å; R676-Y740 VanDerWaalsContact CZ-CE2 3.43Å; R676-Y740 PolarHBondContact NH1-OH 2.87Å; R676-Y740 PolarHBondContact NH2-OH 3.37Å; Y736-Y740 WeakPolarHBondContact O-CB 3.2Å; Y736-Y740 PolarHBondContact O-N 2.91Å; Y740-F744 AromaticContact CD2-CE2 3.89Å; Y740-F744 HydrophobicContact CD2-CE2 3.89Å; Y740-F744 HydrophobicContact CD2-CZ 4.21Å; Y740-F744 HydrophobicContact CG-CE2 4.07Å
741	G	90.6	Very high	95.8	Very high	32 Å²	32	45.9 Å²	45.9	33%	0.33	25%	0.246	S	C	.	.			trans	78.7	-160.6	176.1	0	0	0	0	0	115.3	E737 Q743 F744	E737-G741 WeakPolarHBondContact O-CA 3.24Å; E737-G741 PolarHBondContact O-N 3.11Å; G741-Q743 PolarHBondContact O-N 3.08Å; G741-F744 PolarHBondContact O-N 3.28Å
742	K	88.9	Confident	95.7	Very high	134 Å²	134	44.7 Å²	44.7	58%	0.583	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-57.3	-11.1	-164.8	-51.8	179	-158	154.3	0	116.3	E609 F744 T745	E609-K742 IonicContact OE1-NZ 2.81Å; E609-K742 WeakPolarHBondContact OE2-CD 3.36Å; E609-K742 WeakPolarHBondContact OE2-CE 3.38Å; E609-K742 IonicContact OE2-NZ 3.66Å; E609-K742 PolarHBondContact OE2-NZ 3.19Å; K742-F744 PolarHBondContact O-N 3.27Å; K742-F744 VanDerWaalsContact O-N 3.12Å; K742-T745 WeakPolarHBondContact CA-OG1 3.48Å; K742-T745 PolarHBondContact O-N 3.48Å; K742-T745 PolarHBondContact O-OG1 2.84Å
743	Q	91.3	Very high	95.6	Very high	34 Å²	34	43.8 Å²	43.8	16%	0.159	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-60.8	-15.2	175.2	-76.3	159.1	9.3	0	0	113.8	R560 E609 G612 R680 G741	R560-Q743 VanDerWaalsContact CZ-OE1 3.31Å; E609-Q743 WeakPolarHBondContact O-CG 3.49Å; E609-Q743 PolarHBondContact O-NE2 3.46Å; G612-Q743 VanDerWaalsContact C-CD 3.49Å; G612-Q743 VanDerWaalsContact C-NE2 3.31Å; G612-Q743 WeakPolarHBondContact O-CG 3.45Å; G612-Q743 PolarHBondContact O-NE2 2.94Å; G612-Q743 PolarHBondContact O-OE1 2.91Å; R680-Q743 PolarHBondContact NE-O 3.38Å; R680-Q743 VanDerWaalsContact NE-O 3.13Å; G741-Q743 PolarHBondContact O-N 3.08Å
744	F	96.3	Very high	95.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-123.4	9.3	179.7	-59.5	-93.2	0	0	0	113.5	E557 R676 R680 L733 Y736 E737 Y740 G741 K742	E557-F744 WeakPolarHBondContact OE2-CZ 3.22Å; R676-F744 HydrophobicContact CB-CE1 4.17Å; R676-F744 HydrophobicContact CB-CZ 4.49Å; R676-F744 HydrophobicContact CG-CE1 4.13Å; R676-F744 HydrophobicContact CG-CZ 4.3Å; R680-F744 VanDerWaalsContact CD-CE1 3.49Å; R680-F744 HydrophobicContact CG-CD1 3.6Å; R680-F744 HydrophobicContact CG-CE1 3.5Å; R680-F744 HydrophobicContact CG-CG 4.45Å; R680-F744 HydrophobicContact CG-CZ 4.26Å; L733-F744 WeakPolarHBondContact CB-O 3.31Å; L733-F744 HydrophobicContact CD2-CB 4.31Å; L733-F744 WeakPolarHBondContact CD2-O 3.4Å; Y736-F744 VanDerWaalsContact CB-CG 3.45Å; Y736-F744 HydrophobicContact CD2-CD1 4.1Å; Y736-F744 HydrophobicContact CD2-CE1 4.29Å; Y736-F744 HydrophobicContact CG-CD1 4.07Å; Y736-F744 HydrophobicContact CG-CE1 4.16Å; E737-F744 HydrophobicContact CB-CB 4.04Å; Y740-F744 AromaticContact CD2-CE2 3.89Å; Y740-F744 HydrophobicContact CD2-CE2 3.89Å; Y740-F744 HydrophobicContact CD2-CZ 4.21Å; Y740-F744 HydrophobicContact CG-CE2 4.07Å; G741-F744 PolarHBondContact O-N 3.28Å; K742-F744 PolarHBondContact O-N 3.27Å; K742-F744 VanDerWaalsContact O-N 3.12Å
745	T	96.9	Very high	95.3	Very high	58 Å²	58	44.5 Å²	44.5	36%	0.356	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-61	125.3	176.8	-54	0	0	0	0	110.4	N683 E737 K742	N683-T745 PolarHBondContact ND2-O 2.89Å; E737-T745 WeakPolarHBondContact OE1-CA 3.32Å; E737-T745 VanDerWaalsContact OE1-CB 3.26Å; E737-T745 WeakPolarHBondContact OE1-CB 3.42Å; E737-T745 WeakPolarHBondContact OE1-CG2 3.43Å; E737-T745 PolarHBondContact OE1-OG1 2.98Å; K742-T745 WeakPolarHBondContact CA-OG1 3.48Å; K742-T745 PolarHBondContact O-N 3.48Å; K742-T745 PolarHBondContact O-OG1 2.84Å
746	P	97.4	Very high	95	Very high	21 Å²	21	42.1 Å²	42.1	14%	0.136	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-66.2	137.2	178.6	27.2	-34.6	0	0	0	111.6	V730 L733	V730-P746 HydrophobicContact CG1-CG 4.28Å; V730-P746 HydrophobicContact CG2-CB 4.16Å; L733-P746 HydrophobicContact CD1-CB 3.96Å
747	C	97.1	Very high	94	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.027	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-65.5	155.2	172.6	64.1	0	0	0	0	111.9	N683 M687 L749 L750 A751	N683-C747 PolarHBondContact OD1-N 3.48Å; N683-C747 PolarHBondContact OD1-SG 3.22Å; M687-C747 HydrophobicContact CB-CB 3.82Å; M687-C747 HydrophobicContact CE-CB 3.47Å; M687-C747 VanDerWaalsContact CE-CB 3.47Å; M687-C747 HydrophobicContact CG-CB 4.1Å; M687-C747 HydrophobicContact SD-CB 3.38Å; M687-C747 WeakPolarHBondContact SD-CB 3.5Å; C747-L749 VanDerWaalsContact C-N 3.33Å; C747-L749 PolarHBondContact O-N 3.12Å; C747-L750 PolarHBondContact O-N 3.3Å; C747-L750 VanDerWaalsContact O-N 3.1Å; C747-L750 WeakPolarHBondContact SG-CB 3.46Å; C747-A751 PolarHBondContact O-N 2.82Å
748	Q	97.6	Very high	93.1	Very high	115 Å²	115	52.2 Å²	52.2	54%	0.537	30%	0.304	S	S	.	.	H	α-helix	trans	-57.5	-45	-175.7	-172.3	61.9	48.6	0	0	111.7	Q690 L750 A751 D752	Q690-Q748 VanDerWaalsContact OE1-N 3.07Å; Q748-L750 VanDerWaalsContact C-N 3.31Å; Q748-L750 PolarHBondContact O-N 3.23Å; Q748-A751 CarbonylContact O-C 3.44Å; Q748-A751 PolarHBondContact O-N 3.35Å; Q748-D752 PolarHBondContact NE2-OD1 3.44Å; Q748-D752 WeakPolarHBondContact O-CB 3.49Å; Q748-D752 PolarHBondContact O-N 2.91Å
749	L	97.5	Very high	92.7	Very high	37 Å²	37	52.2 Å²	52.2	19%	0.194	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-34.5	179.5	-178.4	60	0	0	0	112.7	V686 L689 Q690 C747 H753 F761	V686-L749 HydrophobicContact CG1-CB 3.94Å; V686-L749 HydrophobicContact CG1-CD2 3.9Å; V686-L749 HydrophobicContact CG1-CG 3.81Å; L689-L749 HydrophobicContact CB-CD2 4.31Å; L689-L749 HydrophobicContact CD2-CD2 4.17Å; L689-L749 HydrophobicContact CG-CD2 4.22Å; Q690-L749 HydrophobicContact CB-CB 3.91Å; Q690-L749 HydrophobicContact CB-CD2 3.99Å; Q690-L749 HydrophobicContact CG-CB 3.99Å; C747-L749 VanDerWaalsContact C-N 3.33Å; C747-L749 PolarHBondContact O-N 3.12Å; L749-H753 PolarHBondContact O-CD2 3.29Å; L749-H753 PolarHBondContact O-N 3.01Å; L749-F761 HydrophobicContact CD2-CE1 4.19Å; L749-F761 HydrophobicContact CG-CE1 4.29Å; L749-F761 HydrophobicContact CG-CZ 4.39Å
750	L	97.2	Very high	92.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-73	-39	175.2	-177.2	56.9	0	0	0	111.5	V686 V721 I729 V730 L733 C747 Q748 H753 A754	V686-L750 HydrophobicContact CB-CB 4.49Å; V686-L750 HydrophobicContact CG1-CB 4.01Å; V721-L750 HydrophobicContact CG1-CD1 4.03Å; V721-L750 HydrophobicContact CG2-CD1 3.96Å; I729-L750 HydrophobicContact CG2-CD2 4.1Å; V730-L750 HydrophobicContact CG2-CG 3.92Å; L733-L750 HydrophobicContact CD1-CD2 3.54Å; C747-L750 PolarHBondContact O-N 3.3Å; C747-L750 VanDerWaalsContact O-N 3.1Å; C747-L750 WeakPolarHBondContact SG-CB 3.46Å; Q748-L750 VanDerWaalsContact C-N 3.31Å; Q748-L750 PolarHBondContact O-N 3.23Å; L750-H753 PolarHBondContact O-N 3.2Å; L750-A754 PolarHBondContact O-N 3.08Å
751	A	96.6	Very high	92.5	Very high	18 Å²	18	56.4 Å²	56.4	15%	0.149	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-39.7	172.4	0	0	0	0	0	112.1	C747 Q748 H753 A754 N755	C747-A751 PolarHBondContact O-N 2.82Å; Q748-A751 CarbonylContact O-C 3.44Å; Q748-A751 PolarHBondContact O-N 3.35Å; A751-H753 VanDerWaalsContact C-N 3.28Å; A751-H753 PolarHBondContact O-N 3.38Å; A751-A754 WeakPolarHBondContact O-CB 3.45Å; A751-A754 PolarHBondContact O-N 3.11Å; A751-A754 VanDerWaalsContact O-N 3.17Å; A751-N755 WeakPolarHBondContact O-CB 3.49Å; A751-N755 PolarHBondContact O-N 3.21Å; A751-N755 PolarHBondContact O-ND2 2.91Å
752	D	95.9	Very high	92.3	Very high	54 Å²	54	57.2 Å²	57.2	29%	0.289	30%	0.296	S	S	.	.	H	α-helix	trans	-65.7	-29.5	177.7	-73.6	-17.2	0	0	0	113.1	Q748 S756 K759	Q748-D752 PolarHBondContact NE2-OD1 3.44Å; Q748-D752 WeakPolarHBondContact O-CB 3.49Å; Q748-D752 PolarHBondContact O-N 2.91Å; D752-S756 WeakPolarHBondContact O-CB 3.26Å; D752-S756 PolarHBondContact O-OG 2.89Å; D752-K759 WeakPolarHBondContact O-CD 3.46Å; D752-K759 PolarHBondContact O-NZ 3Å
753	H	95.3	Very high	91.2	Very high	20 Å²	20	62.2 Å²	62.2	9%	0.093	32%	0.322	C	S	.	.	H	α-helix	trans	-78.9	-35.4	171.8	-82	-128.4	0	0	0	112	A726 L749 L750 A751 S756 F761	A726-H753 HydrophobicContact CB-CB 3.93Å; L749-H753 PolarHBondContact O-CD2 3.29Å; L749-H753 PolarHBondContact O-N 3.01Å; L750-H753 PolarHBondContact O-N 3.2Å; A751-H753 VanDerWaalsContact C-N 3.28Å; A751-H753 PolarHBondContact O-N 3.38Å; H753-S756 PolarHBondContact O-N 2.96Å; H753-F761 AromaticContact CE1-CD1 3.63Å; H753-F761 AromaticContact CE1-CE1 3.42Å; H753-F761 VanDerWaalsContact CE1-CE1 3.42Å; H753-F761 WeakPolarHBondContact CE1-CE1 3.21Å; H753-F761 AromaticContact CE1-CE2 3.99Å; H753-F761 AromaticContact CE1-CG 3.99Å; H753-F761 AromaticContact CE1-CZ 3.61Å; H753-F761 AromaticContact ND1-CE1 4Å; H753-F761 AromaticContact ND1-CE2 3.76Å; H753-F761 AromaticContact ND1-CZ 3.7Å; H753-F761 AromaticContact NE2-CE1 3.74Å; H753-F761 AromaticContact NE2-CZ 4Å
754	A	94.8	Very high	91.1	Very high	10 Å²	10	63.7 Å²	63.7	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-47.7	172.1	0	0	0	0	0	111.7	A726 Q727 V730 L750 A751 S756	A726-A754 HydrophobicContact CB-CB 4.3Å; Q727-A754 HydrophobicContact CB-CB 4.4Å; Q727-A754 PolarHBondContact OE1-O 2.74Å; V730-A754 HydrophobicContact CB-CB 4.01Å; V730-A754 HydrophobicContact CG1-CB 4.44Å; V730-A754 HydrophobicContact CG2-CB 3.63Å; L750-A754 PolarHBondContact O-N 3.08Å; A751-A754 WeakPolarHBondContact O-CB 3.45Å; A751-A754 PolarHBondContact O-N 3.11Å; A751-A754 VanDerWaalsContact O-N 3.17Å; A754-S756 PolarHBondContact O-N 3.25Å
755	N	93.7	Very high	90.9	Very high	113 Å²	113	67 Å²	67	60%	0.604	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	5.3	178.7	-64.7	-22.4	0	0	0	114.2	A751	A751-N755 WeakPolarHBondContact O-CB 3.49Å; A751-N755 PolarHBondContact O-N 3.21Å; A751-N755 PolarHBondContact O-ND2 2.91Å
756	S	91	Very high	90.5	Very high	34 Å²	34	67.5 Å²	67.5	24%	0.238	35%	0.347	C	S	.	.			trans	-149.4	92.8	-175.4	-68.1	0	0	0	0	111.2	D752 H753 A754 N758 K759	D752-S756 WeakPolarHBondContact O-CB 3.26Å; D752-S756 PolarHBondContact O-OG 2.89Å; H753-S756 PolarHBondContact O-N 2.96Å; A754-S756 PolarHBondContact O-N 3.25Å; S756-N758 PolarHBondContact O-N 2.99Å; S756-K759 PolarHBondContact O-N 3.27Å; S756-K759 WeakPolarHBondContact OG-CE 3.41Å; S756-K759 PolarHBondContact OG-NZ 3.38Å
757	P	76.6	Confident	90.1	Very high	118 Å²	118	70.2 Å²	70.2	77%	0.766	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.8	-170.8	24.3	-35	0	0	0	115.2
758	N	77.8	Confident	89.7	Confident	150 Å²	150	74.4 Å²	74.4	80%	0.802	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-8.3	175.5	-65.5	-16.3	0	0	0	113.9	S756	S756-N758 PolarHBondContact O-N 2.99Å
759	K	87.1	Confident	89.2	Confident	93 Å²	93	71.7 Å²	71.7	40%	0.404	37%	0.369	S	S	.	.			trans	-84.3	130.3	175.1	-70.6	-174.8	-159.9	157.6	0	110.3	D752 S756	D752-K759 WeakPolarHBondContact O-CD 3.46Å; D752-K759 PolarHBondContact O-NZ 3Å; S756-K759 PolarHBondContact O-N 3.27Å; S756-K759 WeakPolarHBondContact OG-CE 3.41Å; S756-K759 PolarHBondContact OG-NZ 3.38Å
760	K	90.6	Very high	88.6	Confident	111 Å²	111	74.1 Å²	74.1	48%	0.483	38%	0.382	S	S	.	.			trans	-142.9	155	177	-68.3	-167.8	-178.3	-173.2	0	109.2	D722 Y762	D722-K760 VanDerWaalsContact OD1-CA 3.27Å; D722-K760 WeakPolarHBondContact OD1-CA 3.37Å; D722-K760 WeakPolarHBondContact OD1-CB 3Å; K760-Y762 VanDerWaalsContact C-N 3.29Å; K760-Y762 WeakPolarHBondContact CB-O 3.48Å
761	F	91.9	Very high	87.9	Confident	28 Å²	28	79.8 Å²	79.8	12%	0.123	41%	0.411	C	S	.	.	S	Bend	trans	-74.8	-25.1	173.5	-68.1	-64.8	0	0	0	112.3	V686 L689 P697 F718 V721 D722 L749 H753	V686-F761 HydrophobicContact CG1-CE1 4.47Å; V686-F761 HydrophobicContact CG1-CZ 3.72Å; V686-F761 HydrophobicContact CG2-CE2 4.02Å; V686-F761 HydrophobicContact CG2-CZ 3.96Å; L689-F761 HydrophobicContact CD2-CD1 3.98Å; L689-F761 HydrophobicContact CD2-CE1 3.87Å; P697-F761 HydrophobicContact CB-CB 4.01Å; P697-F761 HydrophobicContact CG-CB 4Å; P697-F761 HydrophobicContact CG-CD1 4.06Å; P697-F761 HydrophobicContact CG-CG 4.42Å; F718-F761 HydrophobicContact CB-CB 4.09Å; F718-F761 HydrophobicContact CB-CD2 4.03Å; F718-F761 HydrophobicContact CB-CG 4.1Å; F718-F761 HydrophobicContact CD1-CB 4.45Å; F718-F761 AromaticContact CD1-CD1 3.8Å; F718-F761 HydrophobicContact CD1-CD1 3.8Å; F718-F761 AromaticContact CD1-CD2 3.83Å; F718-F761 HydrophobicContact CD1-CD2 3.83Å; F718-F761 AromaticContact CD1-CE1 3.97Å; F718-F761 HydrophobicContact CD1-CE1 3.97Å; F718-F761 AromaticContact CD1-CE2 3.96Å; F718-F761 HydrophobicContact CD1-CE2 3.96Å; F718-F761 AromaticContact CD1-CG 3.74Å; F718-F761 HydrophobicContact CD1-CG 3.74Å; F718-F761 HydrophobicContact CD1-CZ 4.05Å; F718-F761 HydrophobicContact CE1-CD1 4.42Å; F718-F761 HydrophobicContact CE1-CE1 4.28Å; F718-F761 HydrophobicContact CE1-CZ 4.44Å; F718-F761 HydrophobicContact CG-CD2 4.44Å; F718-F761 HydrophobicContact CG-CG 4.41Å; V721-F761 HydrophobicContact CB-CD2 4.14Å; V721-F761 HydrophobicContact CB-CE2 3.99Å; V721-F761 HydrophobicContact CG1-CD2 4.22Å; V721-F761 HydrophobicContact CG1-CE2 3.83Å; V721-F761 HydrophobicContact CG2-CE2 4.2Å; D722-F761 PolarHBondContact OD1-N 3.34Å; D722-F761 PolarHBondContact OD2-N 2.63Å; D722-F761 VanDerWaalsContact OD2-N 3.1Å; L749-F761 HydrophobicContact CD2-CE1 4.19Å; L749-F761 HydrophobicContact CG-CE1 4.29Å; L749-F761 HydrophobicContact CG-CZ 4.39Å; H753-F761 AromaticContact CE1-CD1 3.63Å; H753-F761 AromaticContact CE1-CE1 3.42Å; H753-F761 VanDerWaalsContact CE1-CE1 3.42Å; H753-F761 WeakPolarHBondContact CE1-CE1 3.21Å; H753-F761 AromaticContact CE1-CE2 3.99Å; H753-F761 AromaticContact CE1-CG 3.99Å; H753-F761 AromaticContact CE1-CZ 3.61Å; H753-F761 AromaticContact ND1-CE1 4Å; H753-F761 AromaticContact ND1-CE2 3.76Å; H753-F761 AromaticContact ND1-CZ 3.7Å; H753-F761 AromaticContact NE2-CE1 3.74Å; H753-F761 AromaticContact NE2-CZ 4Å
762	Y	87.7	Confident	87.2	Confident	49 Å²	49	85 Å²	85	19%	0.192	43%	0.433	C	S	.	.			trans	-124.4	127.1	172.1	-58.2	-89.3	0	0	0	110.7	P697 A698 D701 F718 R719 D722 K760	P697-Y762 HydrophobicContact CB-CE2 4.34Å; A698-Y762 WeakPolarHBondContact CA-OH 3.27Å; A698-Y762 HydrophobicContact CB-CE1 4.39Å; D701-Y762 WeakPolarHBondContact OD2-CE2 3.19Å; D701-Y762 VanDerWaalsContact OD2-CZ 3.3Å; D701-Y762 PolarHBondContact OD2-OH 2.74Å; F718-Y762 HydrophobicContact CB-CE2 4.24Å; R719-Y762 HydrophobicContact CB-CE2 4.19Å; D722-Y762 WeakPolarHBondContact OD2-CD2 3.44Å; D722-Y762 PolarHBondContact OD2-N 3.43Å; K760-Y762 VanDerWaalsContact C-N 3.29Å; K760-Y762 WeakPolarHBondContact CB-O 3.48Å
763	Q	64.3	Low	86.4	Confident	240 Å²	240	87.8 Å²	87.8	100%	1.122	45%	0.446	S	S	*	.			trans	-105.5	0	169.9	-64.9	-175.6	-10.5	0	0	109.6

Retrieved 763 of 763 residues in 884 ms (Link to these results)

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