A0A077YYL2_TRITR Loading...

Lysine specific histone demethylase 1B

AlphaFold DB , UniProt , Accession A0A077YYL2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 792 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	36.5	Very low	29.6	Very low	50 Å²	50	86.1 Å²	86.1	25%	0.246	40%	0.404	C	S	.	.				0	105.4	0	-92.5	-174.8	-125.1	0	0	108.4	L411 N513 Y669	M1-L411 HydrophobicContact CE-CD1 3.77Å; M1-N513 PolarHBondContact N-OD1 3.28Å; M1-N513 PolarHBondContact O-ND2 3.39Å; M1-Y669 HydrophobicContact CE-CE1 4.32Å
2	C	25.1	Very low	29.4	Very low	23 Å²	23	88.1 Å²	88.1	16%	0.155	43%	0.43	C	S	.	.			trans	-139.6	82.8	167.5	-165.9	0	0	0	0	104.3	S4 A5 L6 E457	C2-S4 PolarHBondContact O-N 2.69Å; C2-A5 HydrophobicContact CB-CB 3.9Å; C2-A5 PolarHBondContact O-N 3.06Å; C2-A5 VanDerWaalsContact SG-CB 3.6Å; C2-L6 PolarHBondContact O-N 2.92Å; C2-E457 PolarHBondContact SG-OE1 3.3Å
3	R	30.7	Very low	29	Very low	51 Å²	51	91.8 Å²	91.8	19%	0.192	46%	0.462	C	S	.	.	H	α-helix	trans	-61.2	-24	-176.8	-83.6	174.8	162.6	-135.6	-25.8	111.4	S7 D436 G541 H543	R3-S7 WeakPolarHBondContact O-CB 3.46Å; R3-S7 PolarHBondContact O-N 3.48Å; R3-S7 PolarHBondContact O-OG 3.49Å; R3-D436 WeakPolarHBondContact CD-OD1 3.25Å; R3-D436 IonicContact CZ-OD1 3.84Å; R3-D436 IonicContact NE-OD1 3.04Å; R3-D436 IonicContact NH1-OD1 3.86Å; R3-D436 PolarHBondContact NH1-OD1 2.98Å; R3-G541 PolarHBondContact NH2-O 2.66Å; R3-H543 PolarHBondContact NE-CD2 3.2Å; R3-H543 PolarHBondContact NE-NE2 3.06Å; R3-H543 VanDerWaalsContact NE-NE2 3.19Å; R3-H543 PolarHBondContact NH2-CD2 2.86Å; R3-H543 PolarHBondContact NH2-ND1 3.26Å
4	S	34	Very low	28.9	Very low	57 Å²	57	90.9 Å²	90.9	40%	0.399	47%	0.468	S	S	.	.	H	α-helix	trans	-75.4	-29.3	176.6	31	0	0	0	0	114.2	C2 E457	C2-S4 PolarHBondContact O-N 2.69Å; S4-E457 VanDerWaalsContact CB-OE1 3.3Å; S4-E457 WeakPolarHBondContact CB-OE1 3.35Å; S4-E457 PolarHBondContact OG-OE1 2.93Å
5	A	28.9	Very low	28.8	Very low	9 Å²	9	96.7 Å²	96.7	7%	0.074	49%	0.492	C	S	.	.	H	α-helix	trans	-85.3	-46.5	-178.3	0	0	0	0	0	114.3	C2 N461	C2-A5 HydrophobicContact CB-CB 3.9Å; C2-A5 PolarHBondContact O-N 3.06Å; C2-A5 VanDerWaalsContact SG-CB 3.6Å; A5-N461 VanDerWaalsContact CB-CG 3.43Å; A5-N461 WeakPolarHBondContact CB-OD1 3.37Å
6	L	30.5	Very low	28.7	Very low	66 Å²	66	105.6 Å²	105.6	35%	0.346	52%	0.518	S	S	.	.	H	α-helix	trans	-97	-21	-171.1	-73	151.8	0	0	0	112.5	C2 W530 E534	C2-L6 PolarHBondContact O-N 2.92Å; L6-W530 HydrophobicContact CD2-CH2 4.34Å; L6-E534 VanDerWaalsContact CD2-OE1 3.31Å; L6-E534 WeakPolarHBondContact CD2-OE1 3.14Å; L6-E534 WeakPolarHBondContact CD2-OE2 3.07Å
7	S	27.6	Very low	28.8	Very low	86 Å²	86	108.2 Å²	108.2	60%	0.601	53%	0.533	S	S	*	.	S	Bend	trans	-89.9	-12.4	176.3	87.8	0	0	0	0	114.9	R3	R3-S7 WeakPolarHBondContact O-CB 3.46Å; R3-S7 PolarHBondContact O-N 3.48Å; R3-S7 PolarHBondContact O-OG 3.49Å
8	R	27.8	Very low	28.8	Very low	215 Å²	215	109.4 Å²	109.4	81%	0.811	54%	0.538	S	S	*	.	S	Bend	trans	-87.4	-8.3	175.4	-79.2	-174.6	174.3	-174.2	0.5	114.2	L10	R8-L10 PolarHBondContact O-N 3.35Å
9	R	30.9	Very low	28.8	Very low	81 Å²	81	115.6 Å²	115.6	31%	0.306	55%	0.554	S	S	.	*			trans	-91.4	53.1	-179.4	-68.4	-171.5	-174.4	-173.9	2.8	113.7	N461 D465	R9-N461 PolarHBondContact NH2-O 2.93Å; R9-D465 IonicContact CZ-OD1 3.98Å; R9-D465 IonicContact CZ-OD2 2.79Å; R9-D465 IonicContact NE-OD1 2.67Å; R9-D465 PolarHBondContact NE-OD1 3.08Å; R9-D465 VanDerWaalsContact NE-OD1 3.13Å; R9-D465 IonicContact NE-OD2 3.84Å; R9-D465 IonicContact NH1-OD1 3.88Å; R9-D465 PolarHBondContact NH1-OD1 3.4Å; R9-D465 IonicContact NH2-OD1 2.91Å; R9-D465 PolarHBondContact NH2-OD1 3.14Å; R9-D465 IonicContact NH2-OD2 3.78Å; R9-D465 PolarHBondContact NH2-OD2 3.43Å
10	L	27.1	Very low	28.7	Very low	101 Å²	101	121.4 Å²	121.4	53%	0.529	57%	0.57	S	S	.	*			trans	-143	66.9	169.2	-71.5	174.8	0	0	0	111.1	R8 Y254	R8-L10 PolarHBondContact O-N 3.35Å; L10-Y254 HydrophobicContact CB-CD1 4.02Å; L10-Y254 HydrophobicContact CB-CG 4.41Å; L10-Y254 WeakPolarHBondContact O-CD1 3.43Å; L10-Y254 WeakPolarHBondContact O-CE1 3.18Å
11	R	26.2	Very low	28.6	Very low	208 Å²	208	121.5 Å²	121.5	79%	0.785	58%	0.579	S	S	*	*			trans	-156.4	137.8	159.3	-68.2	-171.8	-168.7	-166.5	-3.1	108.2	Y254	R11-Y254 WeakPolarHBondContact CD-OH 3.46Å; R11-Y254 HydrophobicContact CG-CE1 3.86Å; R11-Y254 WeakPolarHBondContact CG-OH 3.32Å; R11-Y254 PolarHBondContact NE-OH 2.91Å; R11-Y254 PolarHBondContact NH2-OH 3.33Å
12	P	27	Very low	28.1	Very low	110 Å²	110	125.3 Å²	125.3	71%	0.714	61%	0.605	S	S	*	*	S	Bend	cis	-132.5	134.3	-16.2	34.9	-15.8	0	0	0	114.2
13	T	25.3	Very low	28.1	Very low	137 Å²	137	135 Å²	135	84%	0.84	64%	0.639	S	S	*	*	S	Bend	trans	-134	17	156.9	36.4	0	0	0	0	113.8
14	S	26.5	Very low	28	Very low	79 Å²	79	141.1 Å²	141.1	55%	0.552	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-82.4	-10	178.5	63.7	0	0	0	0	115.2	R16	S14-R16 PolarHBondContact O-N 2.93Å
15	E	27.4	Very low	27.7	Very low	177 Å²	177	146.7 Å²	146.7	83%	0.827	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-78.9	-9.7	179.7	-78.7	-170	151.6	0	0	115.2
16	R	28.5	Very low	27.6	Very low	240 Å²	240	151 Å²	151	91%	0.906	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-99	-6.7	177.4	-88	-175.1	-178.6	-175.7	2.1	115.8	S14	S14-R16 PolarHBondContact O-N 2.93Å
17	L	29.3	Very low	27.5	Very low	149 Å²	149	157.3 Å²	157.3	78%	0.78	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	-12.9	-178.7	-80.6	158.5	0	0	0	114.9	R19	L17-R19 VanDerWaalsContact C-N 3.27Å; L17-R19 PolarHBondContact O-N 2.94Å
18	Q	30	Very low	27.5	Very low	131 Å²	131	156 Å²	156	61%	0.612	75%	0.747	S	S	*	*	S	Bend	trans	-79.9	1.6	174.8	-72.4	-175	-10.3	0	0	114.7	P251	Q18-P251 PolarHBondContact NE2-O 3.34Å; Q18-P251 VanDerWaalsContact NE2-O 3.11Å
19	R	27.9	Very low	27.6	Very low	227 Å²	227	157 Å²	157	86%	0.857	75%	0.75	S	S	*	*			trans	-111.1	49.4	172.6	-68.6	-172.2	-178.3	-171.1	2.8	112.9	L17	L17-R19 VanDerWaalsContact C-N 3.27Å; L17-R19 PolarHBondContact O-N 2.94Å
20	R	26.3	Very low	27.4	Very low	230 Å²	230	163.9 Å²	163.9	87%	0.868	78%	0.777	S	S	*	*			trans	-128.9	57.8	157.1	-83.7	-172.5	171.2	-177.8	-1.1	110.6	V22	R20-V22 PolarHBondContact O-N 2.92Å
21	T	26.7	Very low	27.5	Very low	124 Å²	124	168.3 Å²	168.3	76%	0.761	79%	0.792	S	S	*	*			trans	-55	120.1	147.7	24.9	0	0	0	0	107.8	R23	T21-R23 VanDerWaalsContact C-N 3.29Å; T21-R23 PolarHBondContact O-N 3.23Å
22	V	26.1	Very low	27.5	Very low	130 Å²	130	170.2 Å²	170.2	79%	0.788	80%	0.799	S	S	*	*			trans	-50.9	96.2	166.1	176.7	0	0	0	0	107.5	R20 Q24	R20-V22 PolarHBondContact O-N 2.92Å; V22-Q24 HydrophobicContact CG1-CG 4.29Å; V22-Q24 PolarHBondContact O-N 3.2Å
23	R	25.8	Very low	27.7	Very low	228 Å²	228	172 Å²	172	86%	0.86	80%	0.798	S	S	*	*			trans	-63.8	97.5	155	-91.4	-176	168.8	-177.8	-3.2	104.5	T21 K25	T21-R23 VanDerWaalsContact C-N 3.29Å; T21-R23 PolarHBondContact O-N 3.23Å; R23-K25 PolarHBondContact O-N 3.27Å
24	Q	27.8	Very low	27.9	Very low	179 Å²	179	177.4 Å²	177.4	84%	0.836	80%	0.803	S	S	*	*			trans	-54.7	92	157.3	-81.7	-177.8	-13.3	0	0	106.7	V22 A26	V22-Q24 HydrophobicContact CG1-CG 4.29Å; V22-Q24 PolarHBondContact O-N 3.2Å; Q24-A26 VanDerWaalsContact C-N 3.29Å; Q24-A26 PolarHBondContact O-N 3.38Å
25	K	27.5	Very low	28.5	Very low	174 Å²	174	182.7 Å²	182.7	76%	0.757	81%	0.811	S	S	*	*			trans	-68.2	100	161.4	-91.6	-175.3	174.8	179.5	0	105.1	R23 F27	R23-K25 PolarHBondContact O-N 3.27Å; K25-F27 PolarHBondContact O-N 2.84Å
26	A	26.9	Very low	29.2	Very low	99 Å²	99	180.3 Å²	180.3	82%	0.818	81%	0.81	S	S	*	*			trans	-54.2	92.5	162.2	0	0	0	0	0	108.6	Q24 G28	Q24-A26 VanDerWaalsContact C-N 3.29Å; Q24-A26 PolarHBondContact O-N 3.38Å; A26-G28 PolarHBondContact O-N 2.9Å
27	F	28.9	Very low	30.1	Very low	199 Å²	199	174.6 Å²	174.6	87%	0.873	80%	0.798	S	S	*	*			trans	-76.8	79.4	160.4	-105.9	-87.7	0	0	0	107.4	K25	K25-F27 PolarHBondContact O-N 2.84Å
28	G	28.6	Very low	31	Very low	59 Å²	59	170.4 Å²	170.4	61%	0.608	79%	0.785	S	S	*	*			trans	-80.5	121	160.1	0	0	0	0	0	109.1	A26	A26-G28 PolarHBondContact O-N 2.9Å
29	R	28.2	Very low	31.9	Very low	234 Å²	234	168.5 Å²	168.5	88%	0.883	78%	0.778	S	S	*	*				165.6	143.5	118.5	-89.9	177.9	175.9	-163.5	-1.2	111
30	R	27.9	Very low	32.6	Very low	226 Å²	226	162.2 Å²	162.2	85%	0.853	77%	0.765	S	S	*	*	S	Bend	trans	89.1	116.9	165.4	-54.3	179.7	-176.1	-167.5	-0.1	113.3
31	F	27.9	Very low	33.4	Very low	194 Å²	194	156.2 Å²	156.2	85%	0.851	75%	0.747	S	S	*	*			cis	-141.7	129.5	17.6	-96	-99.1	0	0	0	109.7
32	R	27.5	Very low	34	Very low	249 Å²	249	156.4 Å²	156.4	94%	0.94	74%	0.742	S	S	*	*			trans	-93	104.3	162.4	-92.2	-175.8	172.5	-177.1	-2.8	108.2	R34	R32-R34 PolarHBondContact O-N 3.42Å
33	Q	30.4	Very low	34.9	Very low	146 Å²	146	157.7 Å²	157.7	68%	0.682	74%	0.737	S	S	*	*			trans	-70.3	118.3	153.6	-86.1	-174.1	-8.9	0	0	107.6	R35	Q33-R35 PolarHBondContact O-N 3.2Å
34	R	30.4	Very low	35.9	Very low	252 Å²	252	154.4 Å²	154.4	95%	0.951	74%	0.737	S	S	*	*			trans	-63.4	125	164.3	-80.4	179.7	170.1	-178.8	-2.9	107.7	R32	R32-R34 PolarHBondContact O-N 3.42Å
35	R	39.4	Very low	36.6	Very low	190 Å²	190	149.3 Å²	149.3	72%	0.717	73%	0.732	S	S	*	*			trans	-127.9	152.8	166	-71	-168.8	-173	-167.2	2.5	109.2	Q33	Q33-R35 PolarHBondContact O-N 3.2Å
36	P	40.9	Very low	37.2	Very low	126 Å²	126	149.2 Å²	149.2	82%	0.818	73%	0.731	S	S	*	*			trans	-76.8	130.7	-162.9	-9.2	26.8	0	0	0	112.6	A38	P36-A38 PolarHBondContact O-N 3.19Å
37	D	47.5	Very low	38	Very low	121 Å²	121	151 Å²	151	65%	0.647	73%	0.728	S	S	*	*			trans	-94.8	30.8	-172	-75.7	-34.1	0	0	0	114.6
38	A	48.8	Very low	39	Very low	61 Å²	61	142.8 Å²	142.8	50%	0.504	70%	0.699	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.1	122.8	-175.5	0	0	0	0	0	112.2	P36 V49	P36-A38 PolarHBondContact O-N 3.19Å; A38-V49 HydrophobicContact CB-CG1 4.12Å
39	L	47.8	Very low	40.2	Very low	90 Å²	90	144 Å²	144	47%	0.471	69%	0.694	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.4	134.4	149.6	-79.6	175.4	0	0	0	108.1	R52	L39-R52 VanDerWaalsContact CD2-NH2 3.34Å
40	V	43.3	Very low	41.6	Very low	96 Å²	96	133.6 Å²	133.6	58%	0.582	66%	0.656	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.8	117.6	165.5	-179	0	0	0	0	106.3	I42	V40-I42 HydrophobicContact CG1-CG1 4.26Å
41	E	44.1	Very low	43.6	Very low	103 Å²	103	128.1 Å²	128.1	48%	0.481	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.4	118.4	167.1	-152	-179.1	-165.6	0	0	107.5	K43	E41-K43 PolarHBondContact O-N 3.12Å
42	I	38.7	Very low	46	Very low	129 Å²	129	122.9 Å²	122.9	66%	0.662	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.2	105.7	178.6	-57.2	174	0	0	0	107.2	V40	V40-I42 HydrophobicContact CG1-CG1 4.26Å
43	K	43.8	Very low	48.8	Very low	156 Å²	156	111.4 Å²	111.4	68%	0.678	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.9	130.1	163.4	-109.6	-179.3	176.2	174.3	0	108.7	E41 G45	E41-K43 PolarHBondContact O-N 3.12Å; K43-G45 VanDerWaalsContact C-N 3.28Å; K43-G45 PolarHBondContact O-N 3.3Å
44	D	48	Very low	51.3	Low	160 Å²	160	109.4 Å²	109.4	86%	0.856	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.7	31.7	177.7	-52.6	-35.6	0	0	0	115.7	K46	D44-K46 VanDerWaalsContact C-N 3.28Å; D44-K46 PolarHBondContact O-N 3.27Å
45	G	41.4	Very low	54.1	Low	72 Å²	72	99 Å²	99	74%	0.742	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	18.6	172.8	0	0	0	0	0	115.4	K43	K43-G45 VanDerWaalsContact C-N 3.28Å; K43-G45 PolarHBondContact O-N 3.3Å
46	K	40.7	Very low	56.3	Low	171 Å²	171	94.3 Å²	94.3	74%	0.743	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	126	173.2	-69.4	-177.5	179.7	176.3	0	110.8	D44 G48	D44-K46 VanDerWaalsContact C-N 3.28Å; D44-K46 PolarHBondContact O-N 3.27Å; K46-G48 PolarHBondContact O-N 3.29Å
47	D	43.7	Very low	58.3	Low	138 Å²	138	90 Å²	90	74%	0.738	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	102.1	174	-71.1	-32.9	0	0	0	110.6
48	G	49.8	Very low	60.2	Low	26 Å²	26	84.3 Å²	84.3	27%	0.268	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108	173.1	0	0	0	0	0	111.1	K46 V50	K46-G48 PolarHBondContact O-N 3.29Å; G48-V50 PolarHBondContact O-N 3.07Å
49	V	53.8	Low	61.6	Low	84 Å²	84	89 Å²	89	51%	0.509	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	101.5	173.7	-177.8	0	0	0	0	109.5	A38 K51 V78	A38-V49 HydrophobicContact CB-CG1 4.12Å; V49-K51 PolarHBondContact O-N 3.14Å; V49-V78 WeakPolarHBondContact O-CG1 3.39Å
50	V	58.8	Low	63.2	Low	15 Å²	15	92 Å²	92	9%	0.091	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	110.5	171.4	-176.7	0	0	0	0	108.6	G48 R52 Y62 V78	G48-V50 PolarHBondContact O-N 3.07Å; V50-R52 PolarHBondContact O-N 3.46Å; V50-Y62 HydrophobicContact CG1-CE2 4.33Å; V50-V78 HydrophobicContact CG2-CG2 4.1Å
51	K	69.5	Low	65	Low	111 Å²	111	88.4 Å²	88.4	48%	0.483	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.7	170.4	-75.8	-176.1	178.6	-178.2	0	109.3	V49 S80 W82	V49-K51 PolarHBondContact O-N 3.14Å; K51-S80 VanDerWaalsContact CD-O 3.28Å; K51-S80 WeakPolarHBondContact CD-O 3.49Å; K51-S80 PolarHBondContact NZ-O 3.47Å; K51-W82 PolarHBondContact O-NE1 3.06Å; K51-W82 VanDerWaalsContact O-NE1 3.15Å
52	R	76.9	Confident	67	Low	85 Å²	85	88.6 Å²	88.6	32%	0.321	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-72.6	165.2	174.3	-67.3	-171.3	179.2	-173.9	3.2	111.8	L39 V50 R59	L39-R52 VanDerWaalsContact CD2-NH2 3.34Å; V50-R52 PolarHBondContact O-N 3.46Å; R52-R59 PolarHBondContact NH1-O 3.19Å
53	C	86.8	Confident	69.3	Low	7 Å²	7	82.6 Å²	82.6	5%	0.047	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-62.7	136.5	165.6	-179.8	0	0	0	0	109.7	N55 C58 W82	C53-N55 PolarHBondContact O-N 3.32Å; C53-N55 PolarHBondContact SG-N 3.46Å; C53-N55 VanDerWaalsContact SG-N 3.44Å; C53-C58 HydrophobicContact CB-CB 3.67Å; C53-W82 HydrophobicContact CB-CB 4.45Å
54	S	84	Confident	71.5	Confident	105 Å²	105	78.4 Å²	78.4	73%	0.734	43%	0.427	S	S	*	.	S	Bend	trans	-77.1	-5.5	179.8	63.8	0	0	0	0	113.7
55	N	87.5	Confident	73.7	Confident	34 Å²	34	70.8 Å²	70.8	18%	0.182	39%	0.386	C	S	.	.	S	Bend	trans	-76	130.9	176.8	-166.1	-32.1	0	0	0	109.5	C53 A57 C58 H84 N195	C53-N55 PolarHBondContact O-N 3.32Å; C53-N55 PolarHBondContact SG-N 3.46Å; C53-N55 VanDerWaalsContact SG-N 3.44Å; N55-A57 PolarHBondContact O-N 3.44Å; N55-A57 PolarHBondContact OD1-N 3.23Å; N55-A57 VanDerWaalsContact OD1-N 3.12Å; N55-C58 PolarHBondContact O-N 3.35Å; N55-H84 HydrophobicContact CB-CB 4.33Å; N55-H84 WeakPolarHBondContact CB-ND1 3.23Å; N55-H84 PolarHBondContact ND2-CD2 3.23Å; N55-H84 VanDerWaalsContact ND2-CD2 3.3Å; N55-H84 PolarHBondContact ND2-CE1 3.27Å; N55-H84 VanDerWaalsContact ND2-CE1 3.29Å; N55-H84 PolarHBondContact ND2-NE2 3.22Å; N55-H84 VanDerWaalsContact ND2-NE2 3.13Å; N55-N195 PolarHBondContact OD1-OD1 3.5Å
56	V	86	Confident	76.2	Confident	91 Å²	91	69.3 Å²	69.3	55%	0.552	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-55.6	-33.4	178.9	45.8	0	0	0	0	113	C58 R59	V56-C58 PolarHBondContact O-N 3.45Å; V56-R59 VanDerWaalsContact O-CG 3.31Å; V56-R59 WeakPolarHBondContact O-CG 3.41Å
57	A	84.4	Confident	78.6	Confident	36 Å²	36	62 Å²	62	30%	0.298	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-72.4	-14.1	178.4	0	0	0	0	0	114.1	N55 N195	N55-A57 PolarHBondContact O-N 3.44Å; N55-A57 PolarHBondContact OD1-N 3.23Å; N55-A57 VanDerWaalsContact OD1-N 3.12Å; A57-N195 HydrophobicContact CB-CB 3.77Å; A57-N195 WeakPolarHBondContact CB-OD1 3.34Å
58	C	85.6	Confident	81	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-105	22.1	-176.9	-60.2	0	0	0	0	112.7	C53 N55 V56 D60 V61 H84	C53-C58 HydrophobicContact CB-CB 3.67Å; N55-C58 PolarHBondContact O-N 3.35Å; V56-C58 PolarHBondContact O-N 3.45Å; C58-D60 VanDerWaalsContact C-N 3.27Å; C58-D60 PolarHBondContact O-N 3.32Å; C58-V61 HydrophobicContact CB-CB 4.23Å; C58-V61 PolarHBondContact O-N 3.46Å; C58-H84 PolarHBondContact SG-CE1 3.14Å; C58-H84 PolarHBondContact SG-ND1 2.93Å
59	R	79.9	Confident	83	Confident	161 Å²	161	61.1 Å²	61.1	61%	0.608	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-44.5	-179.2	-81.5	173.9	-178	-172.5	5.4	111.8	R52 V56	R52-R59 PolarHBondContact NH1-O 3.19Å; V56-R59 VanDerWaalsContact O-CG 3.31Å; V56-R59 WeakPolarHBondContact O-CG 3.41Å
60	D	79.9	Confident	84.8	Confident	151 Å²	151	57.5 Å²	57.5	81%	0.807	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	15.7	-174.5	-53.2	-46	0	0	0	112.4	C58	C58-D60 VanDerWaalsContact C-N 3.27Å; C58-D60 PolarHBondContact O-N 3.32Å
61	V	82.5	Confident	86.5	Confident	21 Å²	21	65 Å²	65	13%	0.127	34%	0.336	C	S	.	.			trans	-102.8	128.8	179.7	178.4	0	0	0	0	109.4	C58 P63 T87 D88	C58-V61 HydrophobicContact CB-CB 4.23Å; C58-V61 PolarHBondContact O-N 3.46Å; V61-P63 VanDerWaalsContact O-CD 3.31Å; V61-P63 WeakPolarHBondContact O-CD 3.48Å; V61-T87 HydrophobicContact CG2-CG2 3.69Å; V61-D88 WeakPolarHBondContact CG1-OD1 3.41Å
62	Y	85	Confident	87.5	Confident	108 Å²	108	65.1 Å²	65.1	42%	0.424	33%	0.333	S	S	.	.			trans	-82	110.7	170	-168.2	-90.6	0	0	0	109.2	V50 V64 G76	V50-Y62 HydrophobicContact CG1-CE2 4.33Å; Y62-V64 HydrophobicContact CD1-CG2 4.25Å; Y62-V64 PolarHBondContact O-N 2.73Å; Y62-G76 WeakPolarHBondContact CE1-O 3.28Å; Y62-G76 PolarHBondContact OH-O 3.45Å
63	P	87.5	Confident	88.3	Confident	3 Å²	3	62 Å²	62	2%	0.019	32%	0.324	C	S	.	.			trans	-71.4	130.2	-173.2	29.6	-35.2	0	0	0	111.2	V61 W82 H90	V61-P63 VanDerWaalsContact O-CD 3.31Å; V61-P63 WeakPolarHBondContact O-CD 3.48Å; P63-W82 HydrophobicContact CB-CB 4.37Å; P63-W82 HydrophobicContact CB-CD2 3.54Å; P63-W82 HydrophobicContact CB-CE3 3.82Å; P63-W82 HydrophobicContact CB-CG 3.79Å; P63-W82 HydrophobicContact CB-CH2 4.41Å; P63-W82 HydrophobicContact CB-CZ2 4.2Å; P63-W82 HydrophobicContact CB-CZ3 4.24Å; P63-W82 HydrophobicContact CG-CD2 3.67Å; P63-W82 VanDerWaalsContact CG-CE2 3.42Å; P63-W82 HydrophobicContact CG-CE3 4.41Å; P63-W82 HydrophobicContact CG-CG 3.74Å; P63-W82 HydrophobicContact CG-CZ2 3.96Å; P63-W82 VanDerWaalsContact CG-NE1 3.34Å; P63-W82 VanDerWaalsContact O-CH2 3.25Å; P63-W82 WeakPolarHBondContact O-CH2 3.3Å; P63-W82 WeakPolarHBondContact O-CZ2 3.45Å; P63-H90 HydrophobicContact CB-CB 4.06Å
64	V	89.9	Confident	88.5	Confident	68 Å²	68	62.5 Å²	62.5	41%	0.412	33%	0.327	S	S	.	.			trans	-119.2	139.9	172.3	-178.6	0	0	0	0	108.9	Y62 V66 K75 H90	Y62-V64 HydrophobicContact CD1-CG2 4.25Å; Y62-V64 PolarHBondContact O-N 2.73Å; V64-V66 PolarHBondContact O-N 3.24Å; V64-K75 CarbonylContact C-O 3.55Å; V64-K75 WeakPolarHBondContact CA-O 3.25Å; V64-H90 VanDerWaalsContact O-O 3.12Å
65	C	94	Very high	88.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-78.8	104.9	-176.1	-178.8	0	0	0	0	111.1	A67 E68 C73 K75 W82 H90 C92 C95	C65-A67 PolarHBondContact O-N 2.78Å; C65-A67 VanDerWaalsContact O-N 3.13Å; C65-E68 WeakPolarHBondContact O-CG 3.29Å; C65-C73 VanDerWaalsContact SG-SG 3.62Å; C65-K75 WeakPolarHBondContact CB-O 3.37Å; C65-K75 PolarHBondContact N-O 2.92Å; C65-W82 HydrophobicContact CB-CH2 4.26Å; C65-W82 HydrophobicContact CB-CZ3 3.82Å; C65-H90 CarbonylContact C-O 3.6Å; C65-H90 VanDerWaalsContact CA-O 3.31Å; C65-H90 WeakPolarHBondContact CA-O 3.32Å; C65-C92 HydrophobicContact CB-CB 3.95Å; C65-C92 PolarHBondContact SG-N 3.41Å; C65-C92 VanDerWaalsContact SG-N 3.44Å; C65-C95 VanDerWaalsContact SG-SG 3.64Å
66	V	93.6	Very high	88.5	Confident	41 Å²	41	62.4 Å²	62.4	25%	0.248	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.9	-178.1	-59.2	0	0	0	0	115	V64 E89 H90 I130 L135	V64-V66 PolarHBondContact O-N 3.24Å; V66-E89 HydrophobicContact CG1-CB 4.03Å; V66-E89 HydrophobicContact CG1-CG 4.33Å; V66-H90 WeakPolarHBondContact CG2-O 3.08Å; V66-H90 PolarHBondContact N-O 3.02Å; V66-I130 HydrophobicContact CG2-CG2 4.07Å; V66-L135 HydrophobicContact CB-CD2 3.8Å; V66-L135 HydrophobicContact CG1-CD2 3.93Å; V66-L135 HydrophobicContact CG2-CD2 3.57Å
67	A	92.5	Very high	88.3	Confident	17 Å²	17	63.5 Å²	63.5	14%	0.14	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-32.5	-172.7	0	0	0	0	0	115.1	C65 A69 L91 C95 Y99 I130 V134	C65-A67 PolarHBondContact O-N 2.78Å; C65-A67 VanDerWaalsContact O-N 3.13Å; A67-A69 HydrophobicContact CB-CB 4.48Å; A67-A69 PolarHBondContact O-N 3.24Å; A67-L91 HydrophobicContact CB-CD1 3.29Å; A67-C95 HydrophobicContact CB-CB 4.24Å; A67-Y99 HydrophobicContact CB-CE2 3.94Å; A67-I130 HydrophobicContact CB-CD1 4.48Å; A67-V134 HydrophobicContact CB-CG1 3.74Å
68	E	92.6	Very high	88.2	Confident	115 Å²	115	65.4 Å²	65.4	54%	0.537	33%	0.327	S	S	.	.			trans	40.1	25.2	-173.1	-55.3	-162.1	-174.9	0	0	117.5	C65	C65-E68 WeakPolarHBondContact O-CG 3.29Å
69	A	92.2	Very high	88.3	Confident	31 Å²	31	65.6 Å²	65.6	26%	0.256	33%	0.328	S	S	.	.			trans	-85.3	-23	-166.9	0	0	0	0	0	114.9	A67 Y98 Y99	A67-A69 HydrophobicContact CB-CB 4.48Å; A67-A69 PolarHBondContact O-N 3.24Å; A69-Y98 HydrophobicContact CB-CD1 3.66Å; A69-Y98 HydrophobicContact CB-CE1 3.66Å; A69-Y98 HydrophobicContact CB-CG 4.4Å; A69-Y99 HydrophobicContact CB-CE2 4.01Å; A69-Y99 VanDerWaalsContact CB-OH 3.29Å; A69-Y99 WeakPolarHBondContact CB-OH 3.05Å
70	S	92.5	Very high	88.7	Confident	8 Å²	8	61.7 Å²	61.7	6%	0.056	33%	0.325	C	S	.	.	S	Bend	trans	-90.6	138.7	179.2	-171.9	0	0	0	0	110.3	R72 C73 A94 C95	S70-R72 PolarHBondContact O-N 2.97Å; S70-R72 PolarHBondContact OG-N 3.13Å; S70-C73 WeakPolarHBondContact O-CB 3.48Å; S70-C73 PolarHBondContact O-N 3.33Å; S70-A94 PolarHBondContact OG-O 3.27Å; S70-C95 PolarHBondContact N-SG 3.04Å
71	H	92.8	Very high	89.2	Confident	172 Å²	172	61.3 Å²	61.3	80%	0.796	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.8	169	67.1	-88	0	0	0	112.8
72	R	92.4	Very high	89.7	Confident	114 Å²	114	60.6 Å²	60.6	43%	0.43	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	19.3	173.5	-50.5	-178.2	-60.1	163.4	10.9	112.9	S70 S74 A94 E97	S70-R72 PolarHBondContact O-N 2.97Å; S70-R72 PolarHBondContact OG-N 3.13Å; R72-S74 PolarHBondContact O-N 2.8Å; R72-A94 HydrophobicContact CB-CB 4.03Å; R72-A94 WeakPolarHBondContact O-CB 3.42Å; R72-E97 IonicContact NH2-OE2 3.34Å; R72-E97 PolarHBondContact NH2-OE2 3.24Å
73	C	92.8	Very high	90.1	Very high	19 Å²	19	55.9 Å²	55.9	13%	0.128	29%	0.289	C	S	.	.			trans	-56.1	130.6	179.6	-177.9	0	0	0	0	110	C65 S70 K75	C65-C73 VanDerWaalsContact SG-SG 3.62Å; S70-C73 WeakPolarHBondContact O-CB 3.48Å; S70-C73 PolarHBondContact O-N 3.33Å; C73-K75 HydrophobicContact CB-CG 4.47Å; C73-K75 PolarHBondContact O-N 3.36Å; C73-K75 PolarHBondContact SG-N 2.74Å
74	S	91.4	Very high	90.4	Very high	17 Å²	17	56.2 Å²	56.2	12%	0.119	29%	0.291	C	S	.	.			trans	-65	-21.1	174	-59.6	0	0	0	0	112	R72 G76 N77 V78 S79 C92	R72-S74 PolarHBondContact O-N 2.8Å; S74-G76 PolarHBondContact O-N 3.27Å; S74-N77 WeakPolarHBondContact CB-O 3.25Å; S74-N77 WeakPolarHBondContact O-CA 3.27Å; S74-N77 VanDerWaalsContact O-CB 3.27Å; S74-N77 WeakPolarHBondContact O-CB 3.34Å; S74-N77 PolarHBondContact O-N 3.14Å; S74-V78 PolarHBondContact OG-O 2.82Å; S74-S79 WeakPolarHBondContact OG-CB 3.46Å; S74-C92 PolarHBondContact N-SG 3.18Å
75	K	87.4	Confident	90.7	Very high	124 Å²	124	53.1 Å²	53.1	54%	0.539	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-92.3	-169.7	-57.1	-179.5	178.5	-174.7	0	109.6	V64 C65 C73 W82	V64-K75 CarbonylContact C-O 3.55Å; V64-K75 WeakPolarHBondContact CA-O 3.25Å; C65-K75 WeakPolarHBondContact CB-O 3.37Å; C65-K75 PolarHBondContact N-O 2.92Å; C73-K75 HydrophobicContact CB-CG 4.47Å; C73-K75 PolarHBondContact O-N 3.36Å; C73-K75 PolarHBondContact SG-N 2.74Å; K75-W82 WeakPolarHBondContact O-CH2 3.37Å
76	G	82.8	Confident	90.7	Very high	13 Å²	13	53.1 Å²	53.1	13%	0.134	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-4.1	166.3	0	0	0	0	0	114.1	Y62 S74	Y62-G76 WeakPolarHBondContact CE1-O 3.28Å; Y62-G76 PolarHBondContact OH-O 3.45Å; S74-G76 PolarHBondContact O-N 3.27Å
77	N	82.8	Confident	90.5	Very high	114 Å²	114	51.8 Å²	51.8	61%	0.61	26%	0.263	S	S	*	.	S	Bend	trans	-75.8	-171.4	-175.3	-60.8	-28.7	0	0	0	112.4	S74 S79 W82	S74-N77 WeakPolarHBondContact CB-O 3.25Å; S74-N77 WeakPolarHBondContact O-CA 3.27Å; S74-N77 VanDerWaalsContact O-CB 3.27Å; S74-N77 WeakPolarHBondContact O-CB 3.34Å; S74-N77 PolarHBondContact O-N 3.14Å; N77-S79 PolarHBondContact O-N 3.47Å; N77-W82 WeakPolarHBondContact O-CZ2 3.45Å
78	V	83.2	Confident	90.4	Very high	77 Å²	77	52.3 Å²	52.3	47%	0.467	26%	0.264	S	S	.	.			trans	-54	124.3	179.9	-176.7	0	0	0	0	111.5	V49 V50 S74	V49-V78 WeakPolarHBondContact O-CG1 3.39Å; V50-V78 HydrophobicContact CG2-CG2 4.1Å; S74-V78 PolarHBondContact OG-O 2.82Å
79	S	87.1	Confident	90.5	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.021	24%	0.241	C	C	.	.			trans	-122.3	140.4	168.8	-178.8	0	0	0	0	108.5	S74 N77 R81 Q93	S74-S79 WeakPolarHBondContact OG-CB 3.46Å; N77-S79 PolarHBondContact O-N 3.47Å; S79-R81 PolarHBondContact O-N 3.31Å; S79-R81 PolarHBondContact OG-O 3.44Å; S79-Q93 PolarHBondContact OG-N 3.46Å
80	S	87.9	Confident	90.6	Very high	79 Å²	79	45.8 Å²	45.8	55%	0.552	23%	0.228	S	C	*	.	S	Bend	trans	-64.1	-24.7	177.7	60.8	0	0	0	0	112.7	K51 Q93	K51-S80 VanDerWaalsContact CD-O 3.28Å; K51-S80 WeakPolarHBondContact CD-O 3.49Å; K51-S80 PolarHBondContact NZ-O 3.47Å; S80-Q93 WeakPolarHBondContact OG-CB 3.4Å; S80-Q93 VanDerWaalsContact OG-CG 3.3Å; S80-Q93 WeakPolarHBondContact OG-CG 3.43Å
81	R	90.4	Very high	90.7	Very high	144 Å²	144	45.5 Å²	45.5	54%	0.543	23%	0.226	S	C	.	.			trans	-154.6	142.4	173.5	-175.6	175.8	-177.3	176.6	1.1	110.7	S79 Q93	S79-R81 PolarHBondContact O-N 3.31Å; S79-R81 PolarHBondContact OG-O 3.44Å; R81-Q93 HydrophobicContact CB-CB 4.43Å; R81-Q93 PolarHBondContact O-N 3.07Å; R81-Q93 VanDerWaalsContact O-N 3.14Å
82	W	92.2	Very high	90.8	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.4	166.8	-69.8	101.8	0	0	0	110.1	K51 C53 P63 C65 K75 N77 H90 C92	K51-W82 PolarHBondContact O-NE1 3.06Å; K51-W82 VanDerWaalsContact O-NE1 3.15Å; C53-W82 HydrophobicContact CB-CB 4.45Å; P63-W82 HydrophobicContact CB-CB 4.37Å; P63-W82 HydrophobicContact CB-CD2 3.54Å; P63-W82 HydrophobicContact CB-CE3 3.82Å; P63-W82 HydrophobicContact CB-CG 3.79Å; P63-W82 HydrophobicContact CB-CH2 4.41Å; P63-W82 HydrophobicContact CB-CZ2 4.2Å; P63-W82 HydrophobicContact CB-CZ3 4.24Å; P63-W82 HydrophobicContact CG-CD2 3.67Å; P63-W82 VanDerWaalsContact CG-CE2 3.42Å; P63-W82 HydrophobicContact CG-CE3 4.41Å; P63-W82 HydrophobicContact CG-CG 3.74Å; P63-W82 HydrophobicContact CG-CZ2 3.96Å; P63-W82 VanDerWaalsContact CG-NE1 3.34Å; P63-W82 VanDerWaalsContact O-CH2 3.25Å; P63-W82 WeakPolarHBondContact O-CH2 3.3Å; P63-W82 WeakPolarHBondContact O-CZ2 3.45Å; C65-W82 HydrophobicContact CB-CH2 4.26Å; C65-W82 HydrophobicContact CB-CZ3 3.82Å; K75-W82 WeakPolarHBondContact O-CH2 3.37Å; N77-W82 WeakPolarHBondContact O-CZ2 3.45Å; W82-H90 HydrophobicContact CE3-CB 3.81Å; W82-H90 HydrophobicContact CZ3-CB 4.31Å; W82-C92 HydrophobicContact CE3-CB 4.06Å; W82-C92 HydrophobicContact CH2-CB 4.02Å; W82-C92 HydrophobicContact CZ3-CB 3.67Å
83	H	94.1	Very high	90.9	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	106.5	175.6	-65	-93.9	0	0	0	108.8	H90 L91 Q93 Y96	H83-H90 WeakPolarHBondContact O-CA 3.44Å; H83-L91 HydrophobicContact CB-CB 4.15Å; H83-L91 PolarHBondContact N-O 2.87Å; H83-L91 PolarHBondContact O-N 2.74Å; H83-Q93 PolarHBondContact NE2-OE1 3.13Å; H83-Y96 HydrophobicContact CB-CD2 4.42Å; H83-Y96 VanDerWaalsContact CD2-CB 3.49Å; H83-Y96 WeakPolarHBondContact CD2-CB 3.34Å; H83-Y96 AromaticContact CD2-CD2 3.81Å; H83-Y96 AromaticContact CD2-CG 3.56Å; H83-Y96 AromaticContact CE1-CD1 3.49Å; H83-Y96 VanDerWaalsContact CE1-CD1 3.49Å; H83-Y96 WeakPolarHBondContact CE1-CD1 3.49Å; H83-Y96 AromaticContact CE1-CD2 3.62Å; H83-Y96 AromaticContact CE1-CE1 3.58Å; H83-Y96 AromaticContact CE1-CE2 3.72Å; H83-Y96 AromaticContact CE1-CG 3.49Å; H83-Y96 VanDerWaalsContact CE1-CG 3.49Å; H83-Y96 AromaticContact CE1-CZ 3.69Å; H83-Y96 AromaticContact CG-CD2 3.73Å; H83-Y96 AromaticContact CG-CG 3.97Å; H83-Y96 AromaticContact ND1-CD2 3.65Å; H83-Y96 AromaticContact ND1-CE2 3.69Å; H83-Y96 AromaticContact ND1-CG 3.97Å; H83-Y96 AromaticContact NE2-CD1 3.4Å; H83-Y96 WeakPolarHBondContact NE2-CD1 3.47Å; H83-Y96 AromaticContact NE2-CD2 3.75Å; H83-Y96 AromaticContact NE2-CE1 3.98Å; H83-Y96 AromaticContact NE2-CG 3.25Å; H83-Y96 VanDerWaalsContact NE2-CG 3.25Å
84	H	94.9	Very high	91	Very high	11 Å²	11	33.4 Å²	33.4	5%	0.051	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	129.8	177.5	-175.3	88.1	0	0	0	112.3	N55 C58 S86 T87 K127 N195 S197	N55-H84 HydrophobicContact CB-CB 4.33Å; N55-H84 WeakPolarHBondContact CB-ND1 3.23Å; N55-H84 PolarHBondContact ND2-CD2 3.23Å; N55-H84 VanDerWaalsContact ND2-CD2 3.3Å; N55-H84 PolarHBondContact ND2-CE1 3.27Å; N55-H84 VanDerWaalsContact ND2-CE1 3.29Å; N55-H84 PolarHBondContact ND2-NE2 3.22Å; N55-H84 VanDerWaalsContact ND2-NE2 3.13Å; C58-H84 PolarHBondContact SG-CE1 3.14Å; C58-H84 PolarHBondContact SG-ND1 2.93Å; H84-S86 PolarHBondContact CE1-O 2.97Å; H84-S86 VanDerWaalsContact CE1-O 3.23Å; H84-T87 PolarHBondContact CE1-N 2.66Å; H84-K127 WeakPolarHBondContact O-CE 3.35Å; H84-K127 PolarHBondContact O-NZ 2.95Å; H84-N195 PolarHBondContact CD2-O 3.23Å; H84-N195 PolarHBondContact NE2-O 3.3Å; H84-S197 PolarHBondContact O-OG 3.34Å
85	I	95	Very high	91.2	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-61.7	165.8	-54.7	-61.5	0	0	0	109.8	E89 K127 I130 L135 S197	I85-E89 WeakPolarHBondContact CA-O 3.32Å; I85-E89 HydrophobicContact CB-CB 4.21Å; I85-E89 VanDerWaalsContact CB-O 3.32Å; I85-E89 WeakPolarHBondContact CB-O 3.41Å; I85-E89 PolarHBondContact N-O 3.22Å; I85-K127 HydrophobicContact CD1-CB 3.78Å; I85-K127 HydrophobicContact CD1-CD 4.23Å; I85-K127 HydrophobicContact CD1-CG 3.82Å; I85-I130 HydrophobicContact CD1-CB 4.24Å; I85-I130 HydrophobicContact CD1-CG2 4.14Å; I85-I130 HydrophobicContact CG1-CG2 4.02Å; I85-L135 HydrophobicContact CG2-CD1 4.11Å; I85-S197 VanDerWaalsContact CA-OG 3.26Å; I85-S197 WeakPolarHBondContact CA-OG 3.48Å; I85-S197 PolarHBondContact O-N 2.9Å; I85-S197 PolarHBondContact O-OG 3Å
86	S	93.7	Very high	91.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	175.2	168.6	75.5	0	0	0	0	109.5	H84 D88 E89 W192 L196	H84-S86 PolarHBondContact CE1-O 2.97Å; H84-S86 VanDerWaalsContact CE1-O 3.23Å; S86-D88 PolarHBondContact O-N 3.14Å; S86-E89 PolarHBondContact N-O 3.4Å; S86-E89 PolarHBondContact O-N 3.44Å; S86-E89 VanDerWaalsContact O-N 3.17Å; S86-E89 VanDerWaalsContact OG-CB 3.3Å; S86-E89 WeakPolarHBondContact OG-CB 3.47Å; S86-E89 WeakPolarHBondContact OG-CG 3.17Å; S86-E89 PolarHBondContact OG-OE2 3.41Å; S86-E89 VanDerWaalsContact OG-OE2 3.07Å; S86-W192 VanDerWaalsContact CB-CZ2 3.47Å; S86-W192 WeakPolarHBondContact OG-CZ2 3.49Å; S86-L196 VanDerWaalsContact CB-CD2 3.45Å
87	T	90.5	Very high	92.2	Very high	13 Å²	13	32 Å²	32	8%	0.08	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	130.4	161.6	-47.4	0	0	0	0	107.8	V61 H84 E89	V61-T87 HydrophobicContact CG2-CG2 3.69Å; H84-T87 PolarHBondContact CE1-N 2.66Å; T87-E89 VanDerWaalsContact C-N 3.3Å; T87-E89 PolarHBondContact O-N 3.18Å
88	D	90	Very high	92.8	Very high	29 Å²	29	28.9 Å²	28.9	16%	0.155	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	-14.1	-173.8	-45.1	-79	0	0	0	117.7	V61 S86 V183 H186 L316	V61-D88 WeakPolarHBondContact CG1-OD1 3.41Å; S86-D88 PolarHBondContact O-N 3.14Å; D88-V183 HydrophobicContact CB-CB 4.2Å; D88-V183 HydrophobicContact CB-CG1 4.01Å; D88-H186 IonicContact OD1-CE1 3.51Å; D88-H186 IonicContact OD1-ND1 3.57Å; D88-H186 PolarHBondContact OD1-ND1 3.12Å; D88-H186 IonicContact OD2-CE1 2.84Å; D88-H186 IonicContact OD2-CG 2.84Å; D88-H186 IonicContact OD2-ND1 3.6Å; D88-H186 PolarHBondContact OD2-ND1 2.88Å; D88-L316 HydrophobicContact CB-CD1 3.98Å
89	E	94.3	Very high	93.5	Very high	9 Å²	9	26 Å²	26	4%	0.042	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	107.4	178.8	-61.1	179.4	144.4	0	0	110.7	V66 I85 S86 T87 L135 G315 L316	V66-E89 HydrophobicContact CG1-CB 4.03Å; V66-E89 HydrophobicContact CG1-CG 4.33Å; I85-E89 WeakPolarHBondContact CA-O 3.32Å; I85-E89 HydrophobicContact CB-CB 4.21Å; I85-E89 VanDerWaalsContact CB-O 3.32Å; I85-E89 WeakPolarHBondContact CB-O 3.41Å; I85-E89 PolarHBondContact N-O 3.22Å; S86-E89 PolarHBondContact N-O 3.4Å; S86-E89 PolarHBondContact O-N 3.44Å; S86-E89 VanDerWaalsContact O-N 3.17Å; S86-E89 VanDerWaalsContact OG-CB 3.3Å; S86-E89 WeakPolarHBondContact OG-CB 3.47Å; S86-E89 WeakPolarHBondContact OG-CG 3.17Å; S86-E89 PolarHBondContact OG-OE2 3.41Å; S86-E89 VanDerWaalsContact OG-OE2 3.07Å; T87-E89 VanDerWaalsContact C-N 3.3Å; T87-E89 PolarHBondContact O-N 3.18Å; E89-L135 HydrophobicContact CB-CD2 4.08Å; E89-L135 HydrophobicContact CG-CD2 4.16Å; E89-L135 WeakPolarHBondContact OE2-CD1 3.42Å; E89-G315 WeakPolarHBondContact OE1-CA 3.49Å; E89-L316 HydrophobicContact CG-CD1 3.95Å; E89-L316 HydrophobicContact CG-CG 4.26Å; E89-L316 WeakPolarHBondContact OE1-CG 2.82Å; E89-L316 PolarHBondContact OE1-N 2.84Å
90	H	95	Very high	93.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.7	-174.3	-56	82.1	0	0	0	112.1	P63 V64 C65 V66 W82 H83	P63-H90 HydrophobicContact CB-CB 4.06Å; V64-H90 VanDerWaalsContact O-O 3.12Å; C65-H90 CarbonylContact C-O 3.6Å; C65-H90 VanDerWaalsContact CA-O 3.31Å; C65-H90 WeakPolarHBondContact CA-O 3.32Å; V66-H90 WeakPolarHBondContact CG2-O 3.08Å; V66-H90 PolarHBondContact N-O 3.02Å; W82-H90 HydrophobicContact CE3-CB 3.81Å; W82-H90 HydrophobicContact CZ3-CB 4.31Å; H83-H90 WeakPolarHBondContact O-CA 3.44Å
91	L	94.9	Very high	94	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.8	171.6	-176.3	77	0	0	0	109.7	A67 H83 C95 Y96 I130	A67-L91 HydrophobicContact CB-CD1 3.29Å; H83-L91 HydrophobicContact CB-CB 4.15Å; H83-L91 PolarHBondContact N-O 2.87Å; H83-L91 PolarHBondContact O-N 2.74Å; L91-C95 HydrophobicContact CD1-CB 3.45Å; L91-C95 VanDerWaalsContact CD1-CB 3.45Å; L91-C95 HydrophobicContact CG-CB 4.09Å; L91-Y96 HydrophobicContact CD2-CD2 3.84Å; L91-Y96 HydrophobicContact CD2-CG 4.27Å; L91-I130 HydrophobicContact CD1-CD1 4.08Å; L91-I130 HydrophobicContact CD2-CD1 4.13Å; L91-I130 HydrophobicContact CD2-CG1 4Å
92	C	94.5	Very high	94.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	159	174.6	74.9	0	0	0	0	111	C65 S74 W82 A94 C95 Y96	C65-C92 HydrophobicContact CB-CB 3.95Å; C65-C92 PolarHBondContact SG-N 3.41Å; C65-C92 VanDerWaalsContact SG-N 3.44Å; S74-C92 PolarHBondContact N-SG 3.18Å; W82-C92 HydrophobicContact CE3-CB 4.06Å; W82-C92 HydrophobicContact CH2-CB 4.02Å; W82-C92 HydrophobicContact CZ3-CB 3.67Å; C92-A94 VanDerWaalsContact C-N 3.27Å; C92-A94 PolarHBondContact O-N 2.86Å; C92-C95 PolarHBondContact O-N 2.77Å; C92-C95 PolarHBondContact SG-N 2.6Å; C92-C95 VanDerWaalsContact SG-SG 3.65Å; C92-Y96 PolarHBondContact O-N 2.86Å
93	Q	94.5	Very high	93.9	Very high	37 Å²	37	30.5 Å²	30.5	17%	0.173	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-38.9	-177.5	178.6	63.6	21.4	0	0	112	S79 S80 R81 H83 C95 Y96 E97	S79-Q93 PolarHBondContact OG-N 3.46Å; S80-Q93 WeakPolarHBondContact OG-CB 3.4Å; S80-Q93 VanDerWaalsContact OG-CG 3.3Å; S80-Q93 WeakPolarHBondContact OG-CG 3.43Å; R81-Q93 HydrophobicContact CB-CB 4.43Å; R81-Q93 PolarHBondContact O-N 3.07Å; R81-Q93 VanDerWaalsContact O-N 3.14Å; H83-Q93 PolarHBondContact NE2-OE1 3.13Å; Q93-C95 PolarHBondContact O-N 2.78Å; Q93-Y96 WeakPolarHBondContact O-CB 3.25Å; Q93-Y96 PolarHBondContact O-N 3.43Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.31Å; Q93-E97 PolarHBondContact NE2-OE1 3.13Å; Q93-E97 WeakPolarHBondContact O-CG 3.41Å; Q93-E97 PolarHBondContact O-N 3.02Å
94	A	94.5	Very high	93.9	Very high	13 Å²	13	30.1 Å²	30.1	11%	0.107	15%	0.154	C	C	.	.	H	α-helix	trans	-65.2	-37.9	-179.2	0	0	0	0	0	113.2	S70 R72 C92 Y98	S70-A94 PolarHBondContact OG-O 3.27Å; R72-A94 HydrophobicContact CB-CB 4.03Å; R72-A94 WeakPolarHBondContact O-CB 3.42Å; C92-A94 VanDerWaalsContact C-N 3.27Å; C92-A94 PolarHBondContact O-N 2.86Å; A94-Y98 PolarHBondContact O-N 2.92Å; A94-Y98 VanDerWaalsContact O-N 3.07Å
95	C	96	Very high	93.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-77.1	-30.5	174.3	-68.5	0	0	0	0	111.8	C65 A67 S70 L91 C92 Q93 Y98 Y99	C65-C95 VanDerWaalsContact SG-SG 3.64Å; A67-C95 HydrophobicContact CB-CB 4.24Å; S70-C95 PolarHBondContact N-SG 3.04Å; L91-C95 HydrophobicContact CD1-CB 3.45Å; L91-C95 VanDerWaalsContact CD1-CB 3.45Å; L91-C95 HydrophobicContact CG-CB 4.09Å; C92-C95 PolarHBondContact O-N 2.77Å; C92-C95 PolarHBondContact SG-N 2.6Å; C92-C95 VanDerWaalsContact SG-SG 3.65Å; Q93-C95 PolarHBondContact O-N 2.78Å; C95-Y98 WeakPolarHBondContact O-CB 3.49Å; C95-Y98 PolarHBondContact O-N 2.83Å; C95-Y99 WeakPolarHBondContact O-CD2 3.39Å; C95-Y99 PolarHBondContact O-N 2.91Å
96	Y	95.1	Very high	93.9	Very high	70 Å²	70	37.2 Å²	37.2	28%	0.275	19%	0.188	S	C	.	.	H	α-helix	trans	-62.4	-44.8	169.7	-176.3	-96.9	0	0	0	111.9	H83 L91 C92 Q93 Y98 Y99 T100 V126	H83-Y96 HydrophobicContact CB-CD2 4.42Å; H83-Y96 VanDerWaalsContact CD2-CB 3.49Å; H83-Y96 WeakPolarHBondContact CD2-CB 3.34Å; H83-Y96 AromaticContact CD2-CD2 3.81Å; H83-Y96 AromaticContact CD2-CG 3.56Å; H83-Y96 AromaticContact CE1-CD1 3.49Å; H83-Y96 VanDerWaalsContact CE1-CD1 3.49Å; H83-Y96 WeakPolarHBondContact CE1-CD1 3.49Å; H83-Y96 AromaticContact CE1-CD2 3.62Å; H83-Y96 AromaticContact CE1-CE1 3.58Å; H83-Y96 AromaticContact CE1-CE2 3.72Å; H83-Y96 AromaticContact CE1-CG 3.49Å; H83-Y96 VanDerWaalsContact CE1-CG 3.49Å; H83-Y96 AromaticContact CE1-CZ 3.69Å; H83-Y96 AromaticContact CG-CD2 3.73Å; H83-Y96 AromaticContact CG-CG 3.97Å; H83-Y96 AromaticContact ND1-CD2 3.65Å; H83-Y96 AromaticContact ND1-CE2 3.69Å; H83-Y96 AromaticContact ND1-CG 3.97Å; H83-Y96 AromaticContact NE2-CD1 3.4Å; H83-Y96 WeakPolarHBondContact NE2-CD1 3.47Å; H83-Y96 AromaticContact NE2-CD2 3.75Å; H83-Y96 AromaticContact NE2-CE1 3.98Å; H83-Y96 AromaticContact NE2-CG 3.25Å; H83-Y96 VanDerWaalsContact NE2-CG 3.25Å; L91-Y96 HydrophobicContact CD2-CD2 3.84Å; L91-Y96 HydrophobicContact CD2-CG 4.27Å; C92-Y96 PolarHBondContact O-N 2.86Å; Q93-Y96 WeakPolarHBondContact O-CB 3.25Å; Q93-Y96 PolarHBondContact O-N 3.43Å; Y96-Y98 VanDerWaalsContact C-N 3.31Å; Y96-Y98 PolarHBondContact O-N 2.84Å; Y96-Y99 PolarHBondContact O-N 2.91Å; Y96-T100 HydrophobicContact CD1-CG2 4.07Å; Y96-T100 HydrophobicContact CD2-CG2 4.5Å; Y96-T100 HydrophobicContact CE1-CG2 3.67Å; Y96-T100 HydrophobicContact CE2-CG2 4.14Å; Y96-T100 HydrophobicContact CG-CG2 4.47Å; Y96-T100 WeakPolarHBondContact O-CB 3.33Å; Y96-T100 WeakPolarHBondContact O-CG2 3.44Å; Y96-T100 PolarHBondContact O-N 3.46Å; Y96-T100 PolarHBondContact O-OG1 2.94Å; Y96-V126 HydrophobicContact CD2-CG1 4.21Å; Y96-V126 HydrophobicContact CE2-CB 4.25Å; Y96-V126 HydrophobicContact CE2-CG1 4.23Å
97	E	95.5	Very high	94	Very high	55 Å²	55	41.2 Å²	41.2	26%	0.257	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-40.7	172.8	-77.1	170	-163.6	0	0	112	R72 Q93 Y99 T100 C101 K102	R72-E97 IonicContact NH2-OE2 3.34Å; R72-E97 PolarHBondContact NH2-OE2 3.24Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.31Å; Q93-E97 PolarHBondContact NE2-OE1 3.13Å; Q93-E97 WeakPolarHBondContact O-CG 3.41Å; Q93-E97 PolarHBondContact O-N 3.02Å; E97-Y99 VanDerWaalsContact C-N 3.26Å; E97-Y99 PolarHBondContact O-N 3.28Å; E97-T100 VanDerWaalsContact CA-OG1 3.25Å; E97-T100 WeakPolarHBondContact CA-OG1 3.44Å; E97-T100 PolarHBondContact O-N 3.06Å; E97-T100 VanDerWaalsContact O-N 3.14Å; E97-T100 PolarHBondContact O-OG1 3.32Å; E97-C101 PolarHBondContact O-N 3.19Å; E97-C101 PolarHBondContact O-SG 3.2Å; E97-C101 VanDerWaalsContact O-SG 3.33Å; E97-K102 PolarHBondContact O-N 3.39Å
98	Y	96.5	Very high	94.3	Very high	48 Å²	48	40.6 Å²	40.6	19%	0.188	21%	0.205	C	C	.	.	H	α-helix	trans	-53.1	-44.5	176.6	178.1	-98.8	0	0	0	112.4	A69 A94 C95 Y96 K102 D103 G104 L105	A69-Y98 HydrophobicContact CB-CD1 3.66Å; A69-Y98 HydrophobicContact CB-CE1 3.66Å; A69-Y98 HydrophobicContact CB-CG 4.4Å; A94-Y98 PolarHBondContact O-N 2.92Å; A94-Y98 VanDerWaalsContact O-N 3.07Å; C95-Y98 WeakPolarHBondContact O-CB 3.49Å; C95-Y98 PolarHBondContact O-N 2.83Å; Y96-Y98 VanDerWaalsContact C-N 3.31Å; Y96-Y98 PolarHBondContact O-N 2.84Å; Y98-K102 CarbonylContact O-C 3.59Å; Y98-K102 PolarHBondContact O-N 3.4Å; Y98-D103 HydrophobicContact CE2-CB 3.8Å; Y98-G104 WeakPolarHBondContact O-CA 3.38Å; Y98-G104 PolarHBondContact O-N 3.19Å; Y98-G104 VanDerWaalsContact O-N 3.12Å; Y98-L105 PolarHBondContact O-N 3.28Å
99	Y	96.3	Very high	94.6	Very high	17 Å²	17	46.4 Å²	46.4	7%	0.067	23%	0.225	C	C	.	.	H	α-helix	trans	-86.4	-12.7	-179.8	-68.1	-59.3	0	0	0	115.1	A67 A69 C95 Y96 E97 V108 F129 I130 V134	A67-Y99 HydrophobicContact CB-CE2 3.94Å; A69-Y99 HydrophobicContact CB-CE2 4.01Å; A69-Y99 VanDerWaalsContact CB-OH 3.29Å; A69-Y99 WeakPolarHBondContact CB-OH 3.05Å; C95-Y99 WeakPolarHBondContact O-CD2 3.39Å; C95-Y99 PolarHBondContact O-N 2.91Å; Y96-Y99 PolarHBondContact O-N 2.91Å; E97-Y99 VanDerWaalsContact C-N 3.26Å; E97-Y99 PolarHBondContact O-N 3.28Å; Y99-V108 HydrophobicContact CD1-CG2 3.96Å; Y99-V108 HydrophobicContact CG-CG2 4.32Å; Y99-V108 WeakPolarHBondContact O-CG2 3.35Å; Y99-F129 HydrophobicContact CD1-CD1 4.2Å; Y99-F129 AromaticContact CD1-CE1 3.54Å; Y99-F129 HydrophobicContact CD1-CE1 3.54Å; Y99-F129 HydrophobicContact CD1-CZ 4.32Å; Y99-F129 HydrophobicContact CE1-CD1 4.46Å; Y99-F129 AromaticContact CE1-CE1 3.48Å; Y99-F129 HydrophobicContact CE1-CE1 3.48Å; Y99-F129 VanDerWaalsContact CE1-CE1 3.48Å; Y99-F129 HydrophobicContact CE1-CZ 4.13Å; Y99-F129 HydrophobicContact CG-CD1 4.42Å; Y99-F129 HydrophobicContact CG-CE1 4.16Å; Y99-I130 HydrophobicContact CD2-CD1 3.66Å; Y99-I130 HydrophobicContact CE2-CD1 3.58Å; Y99-V134 HydrophobicContact CE2-CG2 4.49Å
100	T	94.2	Very high	94.7	Very high	45 Å²	45	50.4 Å²	50.4	28%	0.276	24%	0.244	S	C	.	.	H	α-helix	trans	-102.1	-34.1	-178	46.6	0	0	0	0	113.8	Y96 E97 V126	Y96-T100 HydrophobicContact CD1-CG2 4.07Å; Y96-T100 HydrophobicContact CD2-CG2 4.5Å; Y96-T100 HydrophobicContact CE1-CG2 3.67Å; Y96-T100 HydrophobicContact CE2-CG2 4.14Å; Y96-T100 HydrophobicContact CG-CG2 4.47Å; Y96-T100 WeakPolarHBondContact O-CB 3.33Å; Y96-T100 WeakPolarHBondContact O-CG2 3.44Å; Y96-T100 PolarHBondContact O-N 3.46Å; Y96-T100 PolarHBondContact O-OG1 2.94Å; E97-T100 VanDerWaalsContact CA-OG1 3.25Å; E97-T100 WeakPolarHBondContact CA-OG1 3.44Å; E97-T100 PolarHBondContact O-N 3.06Å; E97-T100 VanDerWaalsContact O-N 3.14Å; E97-T100 PolarHBondContact O-OG1 3.32Å; T100-V126 HydrophobicContact CG2-CB 4.35Å; T100-V126 HydrophobicContact CG2-CG2 3.64Å
101	C	92.1	Very high	94.7	Very high	82 Å²	82	50.4 Å²	50.4	55%	0.554	24%	0.244	S	C	*	.	H	α-helix	trans	-143.4	3.4	-172.8	62.1	0	0	0	0	115.6	E97	E97-C101 PolarHBondContact O-N 3.19Å; E97-C101 PolarHBondContact O-SG 3.2Å; E97-C101 VanDerWaalsContact O-SG 3.33Å
102	K	91.5	Very high	94.8	Very high	75 Å²	75	54.2 Å²	54.2	33%	0.326	26%	0.258	S	S	.	.	S	Bend	trans	-124.5	-153.6	179.2	-48.9	-169.9	167.4	-161.6	0	112	E97 Y98 G104 L105	E97-K102 PolarHBondContact O-N 3.39Å; Y98-K102 CarbonylContact O-C 3.59Å; Y98-K102 PolarHBondContact O-N 3.4Å; K102-G104 VanDerWaalsContact C-N 3.26Å; K102-G104 PolarHBondContact O-N 3.33Å; K102-L105 WeakPolarHBondContact O-CB 3.28Å; K102-L105 PolarHBondContact O-N 2.83Å
103	D	89.8	Confident	94.8	Very high	124 Å²	124	62.9 Å²	62.9	66%	0.663	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.6	-168.8	-43.7	-30.7	0	0	0	113.1	Y98 L105 Q106	Y98-D103 HydrophobicContact CE2-CB 3.8Å; D103-L105 PolarHBondContact O-N 3.17Å; D103-Q106 PolarHBondContact O-N 3.08Å
104	G	93.5	Very high	94.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.4	175	0	0	0	0	0	114.7	Y98 K102 Q106 L107 V108	Y98-G104 WeakPolarHBondContact O-CA 3.38Å; Y98-G104 PolarHBondContact O-N 3.19Å; Y98-G104 VanDerWaalsContact O-N 3.12Å; K102-G104 VanDerWaalsContact C-N 3.26Å; K102-G104 PolarHBondContact O-N 3.33Å; G104-Q106 PolarHBondContact O-N 3.14Å; G104-L107 WeakPolarHBondContact O-CB 3.17Å; G104-L107 PolarHBondContact O-N 2.8Å; G104-V108 PolarHBondContact O-N 3.03Å
105	L	94.8	Very high	94.8	Very high	29 Å²	29	64.9 Å²	64.9	15%	0.152	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-30.8	179.9	-179.2	58.8	0	0	0	112.2	Y98 K102 D103 V108 R109	Y98-L105 PolarHBondContact O-N 3.28Å; K102-L105 WeakPolarHBondContact O-CB 3.28Å; K102-L105 PolarHBondContact O-N 2.83Å; D103-L105 PolarHBondContact O-N 3.17Å; L105-V108 PolarHBondContact O-N 3.38Å; L105-R109 HydrophobicContact CD1-CG 4.29Å; L105-R109 HydrophobicContact CG-CG 4.33Å; L105-R109 WeakPolarHBondContact O-CB 3.49Å; L105-R109 VanDerWaalsContact O-CG 3.28Å; L105-R109 WeakPolarHBondContact O-CG 3.07Å; L105-R109 PolarHBondContact O-N 2.85Å
106	Q	95.1	Very high	94.6	Very high	133 Å²	133	72.2 Å²	72.2	62%	0.621	33%	0.326	S	S	*	.	H	α-helix	trans	-65.2	-42	177.4	-172.7	176.6	4.3	0	0	111.4	D103 G104 R109 Q110	D103-Q106 PolarHBondContact O-N 3.08Å; G104-Q106 PolarHBondContact O-N 3.14Å; Q106-R109 PolarHBondContact O-N 3.37Å; Q106-Q110 WeakPolarHBondContact O-CG 3.43Å; Q106-Q110 PolarHBondContact O-N 2.79Å
107	L	95.7	Very high	94.4	Very high	85 Å²	85	73.7 Å²	73.7	45%	0.445	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-44.8	175	-61.8	173.5	0	0	0	110.9	G104 R109 Q110 W111 F129	G104-L107 WeakPolarHBondContact O-CB 3.17Å; G104-L107 PolarHBondContact O-N 2.8Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 2.87Å; L107-Q110 PolarHBondContact O-N 3.3Å; L107-W111 WeakPolarHBondContact O-CB 3.3Å; L107-W111 PolarHBondContact O-N 3.46Å; L107-F129 HydrophobicContact CB-CE2 4.41Å; L107-F129 HydrophobicContact CB-CZ 4.04Å
108	V	96.5	Very high	94.1	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-40.2	175.8	179.2	0	0	0	0	111.3	Y99 G104 L105 W111 R112 V126 F129	Y99-V108 HydrophobicContact CD1-CG2 3.96Å; Y99-V108 HydrophobicContact CG-CG2 4.32Å; Y99-V108 WeakPolarHBondContact O-CG2 3.35Å; G104-V108 PolarHBondContact O-N 3.03Å; L105-V108 PolarHBondContact O-N 3.38Å; V108-W111 HydrophobicContact CG1-CE3 4.37Å; V108-W111 PolarHBondContact O-N 3.24Å; V108-R112 HydrophobicContact CG1-CG 4.32Å; V108-R112 WeakPolarHBondContact O-CB 3.47Å; V108-R112 VanDerWaalsContact O-CG 3.23Å; V108-R112 WeakPolarHBondContact O-CG 3.43Å; V108-R112 PolarHBondContact O-N 3.49Å; V108-V126 HydrophobicContact CG1-CG2 4.33Å; V108-F129 HydrophobicContact CG2-CD1 3.7Å; V108-F129 HydrophobicContact CG2-CD2 4.07Å; V108-F129 HydrophobicContact CG2-CE1 3.85Å; V108-F129 HydrophobicContact CG2-CE2 4.2Å; V108-F129 HydrophobicContact CG2-CG 3.81Å; V108-F129 HydrophobicContact CG2-CZ 4.09Å
109	R	96.2	Very high	93.8	Very high	150 Å²	150	71.2 Å²	71.2	57%	0.566	35%	0.35	S	S	*	.	H	α-helix	trans	-64.6	-42.3	176.8	-77.3	173.7	175.9	178.5	-0.2	111.8	L105 Q106 L107 R112 R113	L105-R109 HydrophobicContact CD1-CG 4.29Å; L105-R109 HydrophobicContact CG-CG 4.33Å; L105-R109 WeakPolarHBondContact O-CB 3.49Å; L105-R109 VanDerWaalsContact O-CG 3.28Å; L105-R109 WeakPolarHBondContact O-CG 3.07Å; L105-R109 PolarHBondContact O-N 2.85Å; Q106-R109 PolarHBondContact O-N 3.37Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 2.87Å; R109-R112 PolarHBondContact O-N 3.26Å; R109-R113 WeakPolarHBondContact O-CG 3.4Å; R109-R113 PolarHBondContact O-N 3.42Å; R109-R113 VanDerWaalsContact O-N 3.14Å
110	Q	95.5	Very high	93.6	Very high	94 Å²	94	71 Å²	71	44%	0.439	35%	0.353	S	S	.	.	H	α-helix	trans	-64.4	-46.4	175.3	-72.8	173.7	-5	0	0	111.4	Q106 L107 R112 R113 R114	Q106-Q110 WeakPolarHBondContact O-CG 3.43Å; Q106-Q110 PolarHBondContact O-N 2.79Å; L107-Q110 PolarHBondContact O-N 3.3Å; Q110-R112 PolarHBondContact O-N 2.87Å; Q110-R113 WeakPolarHBondContact O-CB 3.45Å; Q110-R113 PolarHBondContact O-N 3.23Å; Q110-R114 PolarHBondContact O-N 3.15Å; Q110-R114 VanDerWaalsContact O-N 3.14Å
111	W	96.1	Very high	93.6	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-60.5	-42.7	174.5	167.9	85.6	0	0	0	112.2	L107 V108 R113 R114 W115 P124 N128 F129 E132 E133	L107-W111 WeakPolarHBondContact O-CB 3.3Å; L107-W111 PolarHBondContact O-N 3.46Å; V108-W111 HydrophobicContact CG1-CE3 4.37Å; V108-W111 PolarHBondContact O-N 3.24Å; W111-R113 VanDerWaalsContact C-N 3.25Å; W111-R113 PolarHBondContact O-N 2.9Å; W111-R114 WeakPolarHBondContact O-CB 3.4Å; W111-R114 PolarHBondContact O-N 3.26Å; W111-R114 VanDerWaalsContact O-N 3.12Å; W111-W115 AromaticContact CE2-CE3 3.88Å; W111-W115 HydrophobicContact CH2-CD2 4.33Å; W111-W115 AromaticContact CH2-CE3 3.93Å; W111-W115 HydrophobicContact CH2-CE3 3.93Å; W111-W115 HydrophobicContact CH2-CZ3 4.35Å; W111-W115 HydrophobicContact CZ2-CD2 4.03Å; W111-W115 AromaticContact CZ2-CE3 3.25Å; W111-W115 HydrophobicContact CZ2-CE3 3.25Å; W111-W115 AromaticContact CZ2-CZ3 3.66Å; W111-W115 HydrophobicContact CZ2-CZ3 3.66Å; W111-W115 WeakPolarHBondContact O-CB 3.41Å; W111-W115 PolarHBondContact O-N 3.07Å; W111-P124 HydrophobicContact CH2-CB 3.52Å; W111-P124 HydrophobicContact CZ3-CB 3.57Å; W111-N128 HydrophobicContact CH2-CB 3.62Å; W111-N128 HydrophobicContact CZ2-CB 3.89Å; W111-F129 HydrophobicContact CB-CD2 3.65Å; W111-F129 HydrophobicContact CB-CE2 3.81Å; W111-F129 HydrophobicContact CD2-CB 4.05Å; W111-F129 AromaticContact CD2-CD2 3.61Å; W111-F129 HydrophobicContact CD2-CD2 3.61Å; W111-F129 HydrophobicContact CD2-CG 4.33Å; W111-F129 HydrophobicContact CE3-CB 3.72Å; W111-F129 AromaticContact CE3-CD2 3.78Å; W111-F129 HydrophobicContact CE3-CD2 3.78Å; W111-F129 HydrophobicContact CE3-CG 4.21Å; W111-F129 AromaticContact CG-CD2 3.54Å; W111-F129 HydrophobicContact CG-CD2 3.54Å; W111-F129 HydrophobicContact CG-CE2 4.12Å; W111-F129 HydrophobicContact CH2-CB 4.12Å; W111-F129 HydrophobicContact CZ2-CB 4.35Å; W111-F129 HydrophobicContact CZ3-CB 3.76Å; W111-E132 VanDerWaalsContact CE2-OE2 3.32Å; W111-E132 VanDerWaalsContact CZ2-OE2 3.3Å; W111-E132 WeakPolarHBondContact CZ2-OE2 3.36Å; W111-E132 PolarHBondContact NE1-OE2 3.45Å; W111-E133 VanDerWaalsContact CD1-CG 3.48Å; W111-E133 HydrophobicContact CG-CG 4.15Å
112	R	96.4	Very high	93.5	Very high	82 Å²	82	73 Å²	73	31%	0.309	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-32.9	175.3	-80.3	177.4	172.9	155.5	1.9	113.2	V108 R109 Q110 K116 P124	V108-R112 HydrophobicContact CG1-CG 4.32Å; V108-R112 WeakPolarHBondContact O-CB 3.47Å; V108-R112 VanDerWaalsContact O-CG 3.23Å; V108-R112 WeakPolarHBondContact O-CG 3.43Å; V108-R112 PolarHBondContact O-N 3.49Å; R109-R112 PolarHBondContact O-N 3.26Å; Q110-R112 PolarHBondContact O-N 2.87Å; R112-K116 WeakPolarHBondContact O-CG 3.37Å; R112-K116 PolarHBondContact O-N 3.25Å; R112-P124 HydrophobicContact CB-CG 4.45Å; R112-P124 HydrophobicContact CG-CB 3.95Å; R112-P124 HydrophobicContact CG-CG 3.85Å; R112-P124 PolarHBondContact NE-O 3.25Å; R112-P124 PolarHBondContact NH2-O 3.2Å
113	R	94.9	Very high	93.6	Very high	182 Å²	182	77.8 Å²	77.8	69%	0.687	38%	0.377	S	S	*	.	H	α-helix	trans	-67.1	-49.4	173.4	-70.1	175.3	-170.6	164.2	0.4	110.3	R109 Q110 W111 W115 K116 S117	R109-R113 WeakPolarHBondContact O-CG 3.4Å; R109-R113 PolarHBondContact O-N 3.42Å; R109-R113 VanDerWaalsContact O-N 3.14Å; Q110-R113 WeakPolarHBondContact O-CB 3.45Å; Q110-R113 PolarHBondContact O-N 3.23Å; W111-R113 VanDerWaalsContact C-N 3.25Å; W111-R113 PolarHBondContact O-N 2.9Å; R113-W115 VanDerWaalsContact C-N 3.3Å; R113-W115 PolarHBondContact O-N 2.93Å; R113-K116 PolarHBondContact O-N 3.11Å; R113-S117 PolarHBondContact O-N 3.18Å; R113-S117 PolarHBondContact O-OG 2.92Å
114	R	94.2	Very high	93.7	Very high	90 Å²	90	72.7 Å²	72.7	34%	0.34	35%	0.351	S	S	.	.	H	α-helix	trans	-57	-43.8	175.3	-68.7	-168.6	-69.4	133.7	0.8	112	Q110 W111 K116 S117 G118 E133 T225	Q110-R114 PolarHBondContact O-N 3.15Å; Q110-R114 VanDerWaalsContact O-N 3.14Å; W111-R114 WeakPolarHBondContact O-CB 3.4Å; W111-R114 PolarHBondContact O-N 3.26Å; W111-R114 VanDerWaalsContact O-N 3.12Å; R114-K116 VanDerWaalsContact C-N 3.33Å; R114-K116 PolarHBondContact O-N 3.08Å; R114-S117 WeakPolarHBondContact CA-OG 3.33Å; R114-S117 PolarHBondContact O-N 3.14Å; R114-S117 PolarHBondContact O-OG 3.46Å; R114-S117 VanDerWaalsContact O-OG 3.14Å; R114-G118 PolarHBondContact O-N 3.16Å; R114-E133 IonicContact CZ-OE1 3.88Å; R114-E133 IonicContact NH1-OE1 3.22Å; R114-E133 PolarHBondContact NH1-OE1 3.38Å; R114-E133 IonicContact NH2-OE1 3.03Å; R114-E133 PolarHBondContact NH2-OE1 3.12Å; R114-E133 IonicContact NH2-OE2 3.26Å; R114-T225 HydrophobicContact CB-CG2 3.97Å
115	W	94.9	Very high	93.7	Very high	1 Å²	1	74.7 Å²	74.7	0%	0.004	37%	0.365	C	S	.	.	H	α-helix	trans	-56.2	-47.4	177.1	-179.5	-78.1	0	0	0	111.9	W111 R113 G120 S122 P124 N128 E132 M201 D218 P224 T225	W111-W115 AromaticContact CE2-CE3 3.88Å; W111-W115 HydrophobicContact CH2-CD2 4.33Å; W111-W115 AromaticContact CH2-CE3 3.93Å; W111-W115 HydrophobicContact CH2-CE3 3.93Å; W111-W115 HydrophobicContact CH2-CZ3 4.35Å; W111-W115 HydrophobicContact CZ2-CD2 4.03Å; W111-W115 AromaticContact CZ2-CE3 3.25Å; W111-W115 HydrophobicContact CZ2-CE3 3.25Å; W111-W115 AromaticContact CZ2-CZ3 3.66Å; W111-W115 HydrophobicContact CZ2-CZ3 3.66Å; W111-W115 WeakPolarHBondContact O-CB 3.41Å; W111-W115 PolarHBondContact O-N 3.07Å; R113-W115 VanDerWaalsContact C-N 3.3Å; R113-W115 PolarHBondContact O-N 2.93Å; W115-G120 VanDerWaalsContact O-CA 3.3Å; W115-G120 WeakPolarHBondContact O-CA 3.5Å; W115-G120 PolarHBondContact O-N 2.93Å; W115-S122 WeakPolarHBondContact CZ2-OG 3.43Å; W115-S122 PolarHBondContact NE1-O 3.32Å; W115-S122 VanDerWaalsContact NE1-O 3.12Å; W115-P124 HydrophobicContact CB-CB 4.41Å; W115-P124 HydrophobicContact CD2-CB 4.08Å; W115-P124 HydrophobicContact CG-CB 3.85Å; W115-P124 HydrophobicContact CG-CG 4.46Å; W115-N128 HydrophobicContact CZ3-CB 4.48Å; W115-E132 HydrophobicContact CZ3-CG 4.42Å; W115-E132 WeakPolarHBondContact CZ3-OE2 3.13Å; W115-M201 HydrophobicContact CH2-CE 3.71Å; W115-M201 HydrophobicContact CH2-SD 3.43Å; W115-M201 WeakPolarHBondContact CH2-SD 3.34Å; W115-M201 HydrophobicContact CZ2-SD 4.48Å; W115-M201 HydrophobicContact CZ3-CE 3.81Å; W115-M201 HydrophobicContact CZ3-SD 3.84Å; W115-D218 HydrophobicContact CH2-CB 4.2Å; W115-D218 HydrophobicContact CZ2-CB 3.95Å; W115-P224 HydrophobicContact CD2-CB 4.23Å; W115-P224 HydrophobicContact CD2-CG 3.96Å; W115-P224 HydrophobicContact CE3-CB 4.36Å; W115-P224 HydrophobicContact CE3-CG 4.01Å; W115-P224 HydrophobicContact CG-CB 4.42Å; W115-P224 HydrophobicContact CH2-CG 4.18Å; W115-P224 HydrophobicContact CZ2-CG 4.08Å; W115-P224 HydrophobicContact CZ3-CG 4.13Å; W115-P224 WeakPolarHBondContact O-CB 3.48Å; W115-T225 HydrophobicContact CB-CG2 4.18Å; W115-T225 HydrophobicContact CE3-CG2 4.38Å
116	K	92.5	Very high	93.7	Very high	155 Å²	155	73.7 Å²	73.7	67%	0.674	36%	0.36	S	S	*	.	H	α-helix	trans	-68.9	-43.6	178.9	-72.6	-177	177	-168.2	0	112.3	R112 R113 R114	R112-K116 WeakPolarHBondContact O-CG 3.37Å; R112-K116 PolarHBondContact O-N 3.25Å; R113-K116 PolarHBondContact O-N 3.11Å; R114-K116 VanDerWaalsContact C-N 3.33Å; R114-K116 PolarHBondContact O-N 3.08Å
117	S	91.1	Very high	93.7	Very high	101 Å²	101	70.3 Å²	70.3	71%	0.706	34%	0.343	S	S	*	.	H	α-helix	trans	-71.7	-30.7	-177.4	60.5	0	0	0	0	113.1	R113 R114 G119	R113-S117 PolarHBondContact O-N 3.18Å; R113-S117 PolarHBondContact O-OG 2.92Å; R114-S117 WeakPolarHBondContact CA-OG 3.33Å; R114-S117 PolarHBondContact O-N 3.14Å; R114-S117 PolarHBondContact O-OG 3.46Å; R114-S117 VanDerWaalsContact O-OG 3.14Å; S117-G119 VanDerWaalsContact C-N 3.25Å; S117-G119 PolarHBondContact O-N 3.34Å
118	G	89.2	Confident	93.7	Very high	31 Å²	31	66.8 Å²	66.8	32%	0.32	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	23.6	177.3	0	0	0	0	0	114.4	R114 C217 P224	R114-G118 PolarHBondContact O-N 3.16Å; G118-C217 PolarHBondContact O-SG 3.41Å; G118-C217 VanDerWaalsContact O-SG 3.39Å; G118-P224 WeakPolarHBondContact CA-O 3.43Å; G118-P224 WeakPolarHBondContact O-CA 3.42Å
119	G	89.4	Confident	93.7	Very high	20 Å²	20	67.2 Å²	67.2	21%	0.206	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	31.7	172.6	0	0	0	0	0	115.2	S117 Y216 C217	S117-G119 VanDerWaalsContact C-N 3.25Å; S117-G119 PolarHBondContact O-N 3.34Å; G119-Y216 CarbonylContact O-C 3.57Å; G119-Y216 WeakPolarHBondContact O-CA 3.38Å; G119-Y216 WeakPolarHBondContact O-CB 3.14Å; G119-Y216 WeakPolarHBondContact O-CD1 3.5Å; G119-C217 PolarHBondContact O-N 2.98Å
120	G	92.6	Very high	93.7	Very high	12 Å²	12	60.1 Å²	60.1	12%	0.124	30%	0.3	C	S	.	.			trans	-84.7	124.6	172.6	0	0	0	0	0	112.6	W115 D218	W115-G120 VanDerWaalsContact O-CA 3.3Å; W115-G120 WeakPolarHBondContact O-CA 3.5Å; W115-G120 PolarHBondContact O-N 2.93Å; G120-D218 WeakPolarHBondContact CA-OD1 3.2Å
121	K	93.7	Very high	93.6	Very high	126 Å²	126	56.3 Å²	56.3	55%	0.548	29%	0.285	S	S	.	.			trans	-92.7	-43.2	179.6	-165.3	-175.9	-167.8	164.9	0	113.5	Y216 D218 L219	K121-Y216 HydrophobicContact CB-CD1 3.78Å; K121-Y216 HydrophobicContact CB-CD2 3.98Å; K121-Y216 HydrophobicContact CB-CE1 4.3Å; K121-Y216 HydrophobicContact CB-CE2 4.44Å; K121-Y216 HydrophobicContact CB-CG 3.61Å; K121-Y216 HydrophobicContact CD-CD2 3.67Å; K121-Y216 HydrophobicContact CD-CE2 3.84Å; K121-Y216 HydrophobicContact CD-CG 4.2Å; K121-Y216 HydrophobicContact CG-CD1 4.39Å; K121-Y216 HydrophobicContact CG-CD2 4.06Å; K121-Y216 HydrophobicContact CG-CE1 4.47Å; K121-Y216 HydrophobicContact CG-CE2 4.13Å; K121-Y216 HydrophobicContact CG-CG 4.18Å; K121-D218 PolarHBondContact N-OD1 3.42Å; K121-D218 PolarHBondContact N-OD2 3.02Å; K121-L219 HydrophobicContact CB-CG 4.47Å; K121-L219 HydrophobicContact CD-CD1 3.61Å; K121-L219 HydrophobicContact CD-CG 4.34Å
122	S	91.1	Very high	93.5	Very high	44 Å²	44	56.7 Å²	56.7	31%	0.308	29%	0.287	S	S	.	.	S	Bend	trans	-68.8	157.2	-175.1	65.1	0	0	0	0	111.4	W115 P124 D218	W115-S122 WeakPolarHBondContact CZ2-OG 3.43Å; W115-S122 PolarHBondContact NE1-O 3.32Å; W115-S122 VanDerWaalsContact NE1-O 3.12Å; S122-P124 VanDerWaalsContact O-CD 3.23Å; S122-P124 WeakPolarHBondContact O-CD 3.37Å; S122-D218 WeakPolarHBondContact CA-OD2 3.13Å; S122-D218 WeakPolarHBondContact CB-OD2 3.42Å; S122-D218 PolarHBondContact N-OD2 2.82Å; S122-D218 PolarHBondContact OG-OD2 2.67Å
123	Q	91.9	Very high	93.4	Very high	174 Å²	174	54.7 Å²	54.7	81%	0.813	28%	0.281	S	S	*	.			trans	-67	116.8	-177	-173	-177.7	16.1	0	0	110	S125	Q123-S125 PolarHBondContact O-N 3.39Å
124	P	92.4	Very high	93.4	Very high	17 Å²	17	47.5 Å²	47.5	11%	0.11	26%	0.257	C	S	.	.			trans	-73.7	97.6	-174.9	29.4	-35.1	0	0	0	111.1	W111 R112 W115 S122	W111-P124 HydrophobicContact CH2-CB 3.52Å; W111-P124 HydrophobicContact CZ3-CB 3.57Å; R112-P124 HydrophobicContact CB-CG 4.45Å; R112-P124 HydrophobicContact CG-CB 3.95Å; R112-P124 HydrophobicContact CG-CG 3.85Å; R112-P124 PolarHBondContact NE-O 3.25Å; R112-P124 PolarHBondContact NH2-O 3.2Å; W115-P124 HydrophobicContact CB-CB 4.41Å; W115-P124 HydrophobicContact CD2-CB 4.08Å; W115-P124 HydrophobicContact CG-CB 3.85Å; W115-P124 HydrophobicContact CG-CG 4.46Å; S122-P124 VanDerWaalsContact O-CD 3.23Å; S122-P124 WeakPolarHBondContact O-CD 3.37Å
125	S	94.1	Very high	93.5	Very high	42 Å²	42	43.4 Å²	43.4	29%	0.294	24%	0.242	S	C	.	.			trans	-83.5	162.4	-179.6	80.9	0	0	0	0	112	Q123 K127 N128 F129	Q123-S125 PolarHBondContact O-N 3.39Å; S125-K127 PolarHBondContact O-N 3.2Å; S125-K127 PolarHBondContact OG-N 2.81Å; S125-N128 VanDerWaalsContact CB-OD1 3.32Å; S125-N128 WeakPolarHBondContact CB-OD1 3.37Å; S125-N128 PolarHBondContact N-OD1 2.82Å; S125-N128 VanDerWaalsContact N-OD1 3.07Å; S125-N128 WeakPolarHBondContact O-CB 3.31Å; S125-N128 PolarHBondContact O-N 3.29Å; S125-N128 PolarHBondContact OG-N 3.33Å; S125-N128 VanDerWaalsContact OG-N 3.16Å; S125-N128 PolarHBondContact OG-OD1 3.31Å; S125-F129 PolarHBondContact O-N 2.92Å; S125-F129 VanDerWaalsContact O-N 3.08Å
126	V	95	Very high	93.4	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-30	172.3	172	0	0	0	0	111.1	Y96 T100 V108 F129 I130	Y96-V126 HydrophobicContact CD2-CG1 4.21Å; Y96-V126 HydrophobicContact CE2-CB 4.25Å; Y96-V126 HydrophobicContact CE2-CG1 4.23Å; T100-V126 HydrophobicContact CG2-CB 4.35Å; T100-V126 HydrophobicContact CG2-CG2 3.64Å; V108-V126 HydrophobicContact CG1-CG2 4.33Å; V126-F129 WeakPolarHBondContact O-CB 3.34Å; V126-F129 PolarHBondContact O-N 3.34Å; V126-I130 HydrophobicContact CG1-CG1 4.39Å; V126-I130 WeakPolarHBondContact O-CG1 3.33Å; V126-I130 PolarHBondContact O-N 2.88Å
127	K	94.9	Very high	93.6	Very high	61 Å²	61	38.4 Å²	38.4	27%	0.265	22%	0.223	S	C	.	.	H	α-helix	trans	-64.6	-41.9	174.5	-64.4	-170	174.1	-160.9	0	111.9	H84 I85 S125 F129 I130 A131 T198	H84-K127 WeakPolarHBondContact O-CE 3.35Å; H84-K127 PolarHBondContact O-NZ 2.95Å; I85-K127 HydrophobicContact CD1-CB 3.78Å; I85-K127 HydrophobicContact CD1-CD 4.23Å; I85-K127 HydrophobicContact CD1-CG 3.82Å; S125-K127 PolarHBondContact O-N 3.2Å; S125-K127 PolarHBondContact OG-N 2.81Å; K127-F129 VanDerWaalsContact C-N 3.33Å; K127-F129 PolarHBondContact O-N 3.17Å; K127-I130 PolarHBondContact O-N 2.75Å; K127-A131 PolarHBondContact O-N 2.87Å; K127-T198 HydrophobicContact CB-CG2 3.77Å
128	N	94.8	Very high	93.8	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.064	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-44.1	173.3	-60.1	111.4	0	0	0	110.8	W111 W115 S125 I130 A131 E132	W111-N128 HydrophobicContact CH2-CB 3.62Å; W111-N128 HydrophobicContact CZ2-CB 3.89Å; W115-N128 HydrophobicContact CZ3-CB 4.48Å; S125-N128 VanDerWaalsContact CB-OD1 3.32Å; S125-N128 WeakPolarHBondContact CB-OD1 3.37Å; S125-N128 PolarHBondContact N-OD1 2.82Å; S125-N128 VanDerWaalsContact N-OD1 3.07Å; S125-N128 WeakPolarHBondContact O-CB 3.31Å; S125-N128 PolarHBondContact O-N 3.29Å; S125-N128 PolarHBondContact OG-N 3.33Å; S125-N128 VanDerWaalsContact OG-N 3.16Å; S125-N128 PolarHBondContact OG-OD1 3.31Å; N128-I130 VanDerWaalsContact C-N 3.34Å; N128-I130 PolarHBondContact O-N 3.32Å; N128-A131 PolarHBondContact O-N 3.04Å; N128-E132 WeakPolarHBondContact O-CB 3.08Å; N128-E132 WeakPolarHBondContact O-CG 3.28Å; N128-E132 PolarHBondContact O-N 3.12Å
129	F	96.5	Very high	94.2	Very high	9 Å²	9	32.4 Å²	32.4	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-56.9	-46.3	174.1	174.6	-96.6	0	0	0	112	Y99 L107 V108 W111 S125 V126 K127 A131 E132 E133 V134	Y99-F129 HydrophobicContact CD1-CD1 4.2Å; Y99-F129 AromaticContact CD1-CE1 3.54Å; Y99-F129 HydrophobicContact CD1-CE1 3.54Å; Y99-F129 HydrophobicContact CD1-CZ 4.32Å; Y99-F129 HydrophobicContact CE1-CD1 4.46Å; Y99-F129 AromaticContact CE1-CE1 3.48Å; Y99-F129 HydrophobicContact CE1-CE1 3.48Å; Y99-F129 VanDerWaalsContact CE1-CE1 3.48Å; Y99-F129 HydrophobicContact CE1-CZ 4.13Å; Y99-F129 HydrophobicContact CG-CD1 4.42Å; Y99-F129 HydrophobicContact CG-CE1 4.16Å; L107-F129 HydrophobicContact CB-CE2 4.41Å; L107-F129 HydrophobicContact CB-CZ 4.04Å; V108-F129 HydrophobicContact CG2-CD1 3.7Å; V108-F129 HydrophobicContact CG2-CD2 4.07Å; V108-F129 HydrophobicContact CG2-CE1 3.85Å; V108-F129 HydrophobicContact CG2-CE2 4.2Å; V108-F129 HydrophobicContact CG2-CG 3.81Å; V108-F129 HydrophobicContact CG2-CZ 4.09Å; W111-F129 HydrophobicContact CB-CD2 3.65Å; W111-F129 HydrophobicContact CB-CE2 3.81Å; W111-F129 HydrophobicContact CD2-CB 4.05Å; W111-F129 AromaticContact CD2-CD2 3.61Å; W111-F129 HydrophobicContact CD2-CD2 3.61Å; W111-F129 HydrophobicContact CD2-CG 4.33Å; W111-F129 HydrophobicContact CE3-CB 3.72Å; W111-F129 AromaticContact CE3-CD2 3.78Å; W111-F129 HydrophobicContact CE3-CD2 3.78Å; W111-F129 HydrophobicContact CE3-CG 4.21Å; W111-F129 AromaticContact CG-CD2 3.54Å; W111-F129 HydrophobicContact CG-CD2 3.54Å; W111-F129 HydrophobicContact CG-CE2 4.12Å; W111-F129 HydrophobicContact CH2-CB 4.12Å; W111-F129 HydrophobicContact CZ2-CB 4.35Å; W111-F129 HydrophobicContact CZ3-CB 3.76Å; S125-F129 PolarHBondContact O-N 2.92Å; S125-F129 VanDerWaalsContact O-N 3.08Å; V126-F129 WeakPolarHBondContact O-CB 3.34Å; V126-F129 PolarHBondContact O-N 3.34Å; K127-F129 VanDerWaalsContact C-N 3.33Å; K127-F129 PolarHBondContact O-N 3.17Å; F129-A131 VanDerWaalsContact C-N 3.34Å; F129-A131 PolarHBondContact O-N 2.88Å; F129-E132 PolarHBondContact O-N 3.39Å; F129-E133 HydrophobicContact CD2-CB 4.1Å; F129-E133 HydrophobicContact CD2-CG 3.95Å; F129-E133 HydrophobicContact CE2-CB 3.82Å; F129-E133 HydrophobicContact CE2-CG 3.85Å; F129-E133 HydrophobicContact CZ-CB 4.1Å; F129-E133 WeakPolarHBondContact O-CB 3.29Å; F129-E133 PolarHBondContact O-N 2.77Å; F129-V134 HydrophobicContact CD1-CG2 4.05Å; F129-V134 HydrophobicContact CE1-CG2 3.57Å; F129-V134 HydrophobicContact CZ-CG2 4.26Å
130	I	96	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-59.3	-47.2	176.5	-65.6	-56.9	0	0	0	110.9	V66 A67 I85 L91 Y99 V126 K127 N128 E132 V134 L135	V66-I130 HydrophobicContact CG2-CG2 4.07Å; A67-I130 HydrophobicContact CB-CD1 4.48Å; I85-I130 HydrophobicContact CD1-CB 4.24Å; I85-I130 HydrophobicContact CD1-CG2 4.14Å; I85-I130 HydrophobicContact CG1-CG2 4.02Å; L91-I130 HydrophobicContact CD1-CD1 4.08Å; L91-I130 HydrophobicContact CD2-CD1 4.13Å; L91-I130 HydrophobicContact CD2-CG1 4Å; Y99-I130 HydrophobicContact CD2-CD1 3.66Å; Y99-I130 HydrophobicContact CE2-CD1 3.58Å; V126-I130 HydrophobicContact CG1-CG1 4.39Å; V126-I130 WeakPolarHBondContact O-CG1 3.33Å; V126-I130 PolarHBondContact O-N 2.88Å; K127-I130 PolarHBondContact O-N 2.75Å; N128-I130 VanDerWaalsContact C-N 3.34Å; N128-I130 PolarHBondContact O-N 3.32Å; I130-E132 VanDerWaalsContact C-N 3.31Å; I130-E132 PolarHBondContact O-N 3.5Å; I130-V134 HydrophobicContact CD1-CB 3.98Å; I130-V134 HydrophobicContact CD1-CG1 4.2Å; I130-V134 HydrophobicContact CD1-CG2 3.74Å; I130-V134 HydrophobicContact CG2-CB 4.36Å; I130-V134 PolarHBondContact O-N 3.07Å; I130-L135 HydrophobicContact CG2-CD2 4.42Å; I130-L135 HydrophobicContact CG2-CG 4.23Å; I130-L135 PolarHBondContact O-N 2.64Å
131	A	95	Very high	94.5	Very high	15 Å²	15	32.2 Å²	32.2	12%	0.124	17%	0.166	C	C	.	.	I	π-helix	trans	-65.5	-31.1	-179.7	0	0	0	0	0	113.3	K127 N128 F129 L135 T198 R314	K127-A131 PolarHBondContact O-N 2.87Å; N128-A131 PolarHBondContact O-N 3.04Å; F129-A131 VanDerWaalsContact C-N 3.34Å; F129-A131 PolarHBondContact O-N 2.88Å; A131-L135 HydrophobicContact CB-CD1 4.39Å; A131-T198 HydrophobicContact CB-CG2 4.03Å; A131-R314 WeakPolarHBondContact O-CB 3.27Å
132	E	94	Very high	94.4	Very high	7 Å²	7	30.7 Å²	30.7	3%	0.033	16%	0.157	C	C	.	.	I	π-helix	trans	-94.4	-29.9	-176.1	-74.6	-147.8	103.3	0	0	115.3	W111 W115 N128 F129 I130 M201 K203 S223 T225 R314	W111-E132 VanDerWaalsContact CE2-OE2 3.32Å; W111-E132 VanDerWaalsContact CZ2-OE2 3.3Å; W111-E132 WeakPolarHBondContact CZ2-OE2 3.36Å; W111-E132 PolarHBondContact NE1-OE2 3.45Å; W115-E132 HydrophobicContact CZ3-CG 4.42Å; W115-E132 WeakPolarHBondContact CZ3-OE2 3.13Å; N128-E132 WeakPolarHBondContact O-CB 3.08Å; N128-E132 WeakPolarHBondContact O-CG 3.28Å; N128-E132 PolarHBondContact O-N 3.12Å; F129-E132 PolarHBondContact O-N 3.39Å; I130-E132 VanDerWaalsContact C-N 3.31Å; I130-E132 PolarHBondContact O-N 3.5Å; E132-M201 HydrophobicContact CG-CE 3.86Å; E132-K203 WeakPolarHBondContact O-CE 3.48Å; E132-K203 PolarHBondContact O-NZ 3.22Å; E132-K203 IonicContact OE1-NZ 2.93Å; E132-K203 PolarHBondContact OE1-NZ 3.21Å; E132-S223 VanDerWaalsContact OE1-CB 3.27Å; E132-S223 WeakPolarHBondContact OE1-CB 3.3Å; E132-S223 PolarHBondContact OE1-OG 3.02Å; E132-T225 PolarHBondContact OE1-OG1 3.37Å; E132-T225 PolarHBondContact OE2-OG1 3.23Å; E132-R314 VanDerWaalsContact C-CD 3.49Å; E132-R314 WeakPolarHBondContact O-CD 3.34Å; E132-R314 PolarHBondContact O-NE 2.73Å; E132-R314 VanDerWaalsContact O-NE 3.16Å
133	E	93.9	Very high	94.4	Very high	41 Å²	41	33 Å²	33	19%	0.192	17%	0.165	C	C	.	.	I	π-helix	trans	-121.3	-24.6	-169.1	-63.4	-66.4	168.5	0	0	113.3	W111 R114 F129 R314	W111-E133 VanDerWaalsContact CD1-CG 3.48Å; W111-E133 HydrophobicContact CG-CG 4.15Å; R114-E133 IonicContact CZ-OE1 3.88Å; R114-E133 IonicContact NH1-OE1 3.22Å; R114-E133 PolarHBondContact NH1-OE1 3.38Å; R114-E133 IonicContact NH2-OE1 3.03Å; R114-E133 PolarHBondContact NH2-OE1 3.12Å; R114-E133 IonicContact NH2-OE2 3.26Å; F129-E133 HydrophobicContact CD2-CB 4.1Å; F129-E133 HydrophobicContact CD2-CG 3.95Å; F129-E133 HydrophobicContact CE2-CB 3.82Å; F129-E133 HydrophobicContact CE2-CG 3.85Å; F129-E133 HydrophobicContact CZ-CB 4.1Å; F129-E133 WeakPolarHBondContact O-CB 3.29Å; F129-E133 PolarHBondContact O-N 2.77Å; E133-R314 PolarHBondContact O-NE 3.49Å
134	V	94.6	Very high	94.5	Very high	31 Å²	31	26.4 Å²	26.4	19%	0.188	14%	0.138	C	C	.	.	I	π-helix	trans	-110.1	-43.6	-168.7	-176.9	0	0	0	0	113.6	A67 Y99 F129 I130	A67-V134 HydrophobicContact CB-CG1 3.74Å; Y99-V134 HydrophobicContact CE2-CG2 4.49Å; F129-V134 HydrophobicContact CD1-CG2 4.05Å; F129-V134 HydrophobicContact CE1-CG2 3.57Å; F129-V134 HydrophobicContact CZ-CG2 4.26Å; I130-V134 HydrophobicContact CD1-CB 3.98Å; I130-V134 HydrophobicContact CD1-CG1 4.2Å; I130-V134 HydrophobicContact CD1-CG2 3.74Å; I130-V134 HydrophobicContact CG2-CB 4.36Å; I130-V134 PolarHBondContact O-N 3.07Å
135	L	95.1	Very high	94.5	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-53.9	144.6	-178.4	-76	-180	0	0	0	111.8	V66 I85 E89 I130 A131 R314	V66-L135 HydrophobicContact CB-CD2 3.8Å; V66-L135 HydrophobicContact CG1-CD2 3.93Å; V66-L135 HydrophobicContact CG2-CD2 3.57Å; I85-L135 HydrophobicContact CG2-CD1 4.11Å; E89-L135 HydrophobicContact CB-CD2 4.08Å; E89-L135 HydrophobicContact CG-CD2 4.16Å; E89-L135 WeakPolarHBondContact OE2-CD1 3.42Å; I130-L135 HydrophobicContact CG2-CD2 4.42Å; I130-L135 HydrophobicContact CG2-CG 4.23Å; I130-L135 PolarHBondContact O-N 2.64Å; A131-L135 HydrophobicContact CB-CD1 4.39Å; L135-R314 HydrophobicContact CB-CB 3.77Å; L135-R314 WeakPolarHBondContact O-CB 3.41Å; L135-R314 WeakPolarHBondContact O-CD 3.46Å; L135-R314 VanDerWaalsContact O-CG 3.28Å; L135-R314 WeakPolarHBondContact O-CG 3.3Å; L135-R314 PolarHBondContact O-NH1 3.41Å
136	P	94.2	Very high	94.6	Very high	30 Å²	30	30.6 Å²	30.6	20%	0.195	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-64.1	154.3	174.1	28.2	-34.2	0	0	0	110.5	Q149 G315	P136-Q149 HydrophobicContact CB-CB 4.27Å; P136-Q149 HydrophobicContact CB-CG 4.21Å; P136-Q149 HydrophobicContact CG-CG 4.23Å; P136-G315 PolarHBondContact O-N 2.93Å
137	Y	95.8	Very high	94.6	Very high	21 Å²	21	31 Å²	31	8%	0.082	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	151	164.5	-70.6	-79.7	0	0	0	109.2	Q149 V150 I153 I312 C313 R314	Y137-Q149 CarbonylContact O-C 3.54Å; Y137-Q149 VanDerWaalsContact O-CA 3.29Å; Y137-Q149 WeakPolarHBondContact O-CA 3.41Å; Y137-V150 PolarHBondContact N-O 2.84Å; Y137-V150 PolarHBondContact O-N 2.67Å; Y137-I153 HydrophobicContact CD1-CB 4.32Å; Y137-I153 HydrophobicContact CD1-CG2 3.4Å; Y137-I153 VanDerWaalsContact CD1-CG2 3.4Å; Y137-I153 HydrophobicContact CD2-CG2 4.29Å; Y137-I153 HydrophobicContact CE1-CG2 3.7Å; Y137-I153 HydrophobicContact CG-CB 4.18Å; Y137-I153 HydrophobicContact CG-CG2 3.74Å; Y137-I312 HydrophobicContact CE1-CG2 4.16Å; Y137-C313 VanDerWaalsContact CD1-O 3.23Å; Y137-C313 WeakPolarHBondContact CD1-O 3.32Å; Y137-R314 HydrophobicContact CD1-CB 4.38Å; Y137-R314 HydrophobicContact CD1-CG 3.78Å; Y137-R314 HydrophobicContact CD2-CG 4.09Å; Y137-R314 HydrophobicContact CE1-CB 4.28Å; Y137-R314 HydrophobicContact CE1-CG 3.38Å; Y137-R314 HydrophobicContact CE2-CG 3.74Å; Y137-R314 HydrophobicContact CG-CG 4.11Å
138	W	96.6	Very high	94.6	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.1	173.6	-72	86.5	0	0	0	109.6	W147 R148 Q149 N181 V183 V184 G315 L316 R318 I319	W138-W147 HydrophobicContact CB-CE3 4Å; W138-W147 HydrophobicContact CB-CZ3 4.27Å; W138-W147 HydrophobicContact CE3-CB 4.22Å; W138-R148 CarbonylContact C-O 3.59Å; W138-R148 WeakPolarHBondContact CA-O 3.44Å; W138-Q149 HydrophobicContact CD2-CG 3.79Å; W138-Q149 HydrophobicContact CE3-CG 3.88Å; W138-Q149 HydrophobicContact CH2-CG 3.67Å; W138-Q149 HydrophobicContact CZ2-CG 3.56Å; W138-Q149 HydrophobicContact CZ3-CG 3.81Å; W138-N181 HydrophobicContact CH2-CB 4.15Å; W138-N181 HydrophobicContact CZ3-CB 4.41Å; W138-V183 HydrophobicContact CH2-CG2 3.76Å; W138-V183 HydrophobicContact CZ2-CG2 4.02Å; W138-V184 HydrophobicContact CE3-CG2 3.99Å; W138-V184 HydrophobicContact CH2-CG2 3.96Å; W138-V184 HydrophobicContact CZ3-CG2 3.38Å; W138-G315 VanDerWaalsContact CD1-C 3.42Å; W138-L316 HydrophobicContact CD2-CD2 4.06Å; W138-L316 VanDerWaalsContact CE2-CD2 3.42Å; W138-L316 HydrophobicContact CH2-CD2 4.02Å; W138-L316 HydrophobicContact CZ2-CD2 3.37Å; W138-L316 HydrophobicContact CZ2-CG 4.12Å; W138-R318 VanDerWaalsContact O-CD 3.28Å; W138-R318 WeakPolarHBondContact O-CD 3.34Å; W138-R318 PolarHBondContact O-NH1 3.16Å; W138-I319 HydrophobicContact CB-CG1 4.47Å; W138-I319 HydrophobicContact CD2-CD1 4.38Å; W138-I319 HydrophobicContact CE3-CD1 4.43Å; W138-I319 HydrophobicContact CG-CD1 4.49Å
139	V	95.6	Very high	94.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143	-179.6	62.8	0	0	0	0	110.5	W147 R148 V150 I153 F161	V139-W147 CarbonylContact O-C 3.44Å; V139-W147 WeakPolarHBondContact O-CA 3.37Å; V139-R148 PolarHBondContact N-O 2.79Å; V139-R148 PolarHBondContact O-N 3.49Å; V139-V150 HydrophobicContact CB-CG2 4.32Å; V139-V150 HydrophobicContact CG1-CB 4.34Å; V139-V150 HydrophobicContact CG1-CG1 3.56Å; V139-V150 HydrophobicContact CG1-CG2 3.78Å; V139-I153 HydrophobicContact CB-CD1 3.9Å; V139-I153 HydrophobicContact CG2-CD1 4.08Å; V139-F161 HydrophobicContact CB-CD1 4.28Å; V139-F161 HydrophobicContact CB-CG 4.43Å; V139-F161 HydrophobicContact CG1-CD1 3.55Å; V139-F161 HydrophobicContact CG1-CD2 3.89Å; V139-F161 HydrophobicContact CG1-CE1 3.58Å; V139-F161 HydrophobicContact CG1-CE2 3.9Å; V139-F161 HydrophobicContact CG1-CG 3.72Å; V139-F161 HydrophobicContact CG1-CZ 3.76Å; V139-F161 HydrophobicContact CG2-CB 3.77Å; V139-F161 HydrophobicContact CG2-CD1 3.84Å; V139-F161 HydrophobicContact CG2-CG 3.82Å
140	Q	95.3	Very high	94.3	Very high	29 Å²	29	35.2 Å²	35.2	14%	0.136	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.8	179.2	-164.7	180	28.8	0	0	109.9	R142 D145 W147 R308	Q140-R142 PolarHBondContact O-N 2.87Å; Q140-D145 WeakPolarHBondContact CG-O 2.9Å; Q140-D145 PolarHBondContact NE2-O 2.92Å; Q140-W147 HydrophobicContact CB-CD2 3.95Å; Q140-W147 HydrophobicContact CB-CE3 4.21Å; Q140-W147 HydrophobicContact CB-CG 4.48Å; Q140-W147 HydrophobicContact CB-CH2 4.41Å; Q140-W147 HydrophobicContact CB-CZ2 4.12Å; Q140-W147 HydrophobicContact CB-CZ3 4.46Å; Q140-W147 HydrophobicContact CG-CD2 4.34Å; Q140-W147 HydrophobicContact CG-CG 4.48Å; Q140-R308 VanDerWaalsContact OE1-CZ 3.24Å; Q140-R308 VanDerWaalsContact OE1-NH2 3.15Å
141	C	94.1	Very high	93.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.			trans	-66.3	127.7	175.1	-179.5	0	0	0	0	111.5	L143 D145 K146 F161 C163	C141-L143 PolarHBondContact O-N 2.92Å; C141-L143 PolarHBondContact SG-N 2.87Å; C141-L143 VanDerWaalsContact SG-N 3.38Å; C141-D145 VanDerWaalsContact O-CA 3.28Å; C141-D145 WeakPolarHBondContact O-CA 3.32Å; C141-D145 PolarHBondContact O-N 2.94Å; C141-K146 WeakPolarHBondContact CB-O 3.23Å; C141-K146 PolarHBondContact N-O 3.39Å; C141-F161 HydrophobicContact CB-CD1 4.43Å; C141-F161 HydrophobicContact CB-CE1 4.29Å; C141-C163 WeakPolarHBondContact CB-SG 3.44Å; C141-C163 PolarHBondContact SG-N 3.19Å
142	R	91.8	Very high	93.6	Very high	94 Å²	94	44.3 Å²	44.3	36%	0.355	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.6	176.6	-61.8	-52.1	-53.5	-178.1	5.1	114.9	Q140 Q159 F161 R162 E305	Q140-R142 PolarHBondContact O-N 2.87Å; R142-Q159 WeakPolarHBondContact CG-O 3.36Å; R142-F161 WeakPolarHBondContact CG-O 3.32Å; R142-F161 PolarHBondContact N-O 3.12Å; R142-R162 HydrophobicContact CB-CG 4.26Å; R142-E305 IonicContact CZ-OE1 2.93Å; R142-E305 IonicContact CZ-OE2 2.8Å; R142-E305 IonicContact NH1-OE1 2.83Å; R142-E305 PolarHBondContact NH1-OE1 3Å; R142-E305 IonicContact NH1-OE2 3.26Å; R142-E305 PolarHBondContact NH1-OE2 3.14Å; R142-E305 IonicContact NH2-OE1 3.28Å; R142-E305 IonicContact NH2-OE2 3.56Å; R142-E305 PolarHBondContact NH2-OE2 3.05Å
143	L	91.3	Very high	93.5	Very high	91 Å²	91	45 Å²	45	48%	0.476	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-40.6	-177.9	-177.3	63	0	0	0	112.9	C141 R162	C141-L143 PolarHBondContact O-N 2.92Å; C141-L143 PolarHBondContact SG-N 2.87Å; C141-L143 VanDerWaalsContact SG-N 3.38Å; L143-R162 HydrophobicContact CB-CG 4.38Å
144	C	92.5	Very high	93.4	Very high	37 Å²	37	44.6 Å²	44.6	25%	0.25	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	4.1	-173.9	71.8	0	0	0	0	114.6	K146 C176	C144-K146 PolarHBondContact O-N 3.32Å; C144-C176 HydrophobicContact CB-CB 3.89Å; C144-C176 PolarHBondContact SG-SG 3.06Å
145	D	93.7	Very high	93.4	Very high	98 Å²	98	44.5 Å²	44.5	52%	0.524	24%	0.238	S	C	.	.			trans	59	5	-179.7	-63.8	-45.7	0	0	0	116.6	Q140 C141	Q140-D145 WeakPolarHBondContact CG-O 2.9Å; Q140-D145 PolarHBondContact NE2-O 2.92Å; C141-D145 VanDerWaalsContact O-CA 3.28Å; C141-D145 WeakPolarHBondContact O-CA 3.32Å; C141-D145 PolarHBondContact O-N 2.94Å
146	K	95.1	Very high	93.2	Very high	48 Å²	48	50 Å²	50	21%	0.209	26%	0.264	C	S	.	.			trans	-74.5	141.3	174.4	-63.2	178.3	179.2	172.9	0	111.6	C141 C144 C176 V178 E180	C141-K146 WeakPolarHBondContact CB-O 3.23Å; C141-K146 PolarHBondContact N-O 3.39Å; C144-K146 PolarHBondContact O-N 3.32Å; K146-C176 PolarHBondContact NZ-O 3.34Å; K146-V178 PolarHBondContact NZ-O 2.99Å; K146-E180 VanDerWaalsContact CA-OE1 3.31Å; K146-E180 WeakPolarHBondContact CA-OE1 3.44Å; K146-E180 HydrophobicContact CB-CB 4.35Å; K146-E180 HydrophobicContact CB-CG 4.46Å; K146-E180 HydrophobicContact CD-CB 4.35Å; K146-E180 HydrophobicContact CG-CB 4.21Å
147	W	96	Very high	93.2	Very high	18 Å²	18	51.1 Å²	51.1	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.5	173.6	-71	86.1	0	0	0	112.1	W138 V139 Q140 E180 V184 I319 V322	W138-W147 HydrophobicContact CB-CE3 4Å; W138-W147 HydrophobicContact CB-CZ3 4.27Å; W138-W147 HydrophobicContact CE3-CB 4.22Å; V139-W147 CarbonylContact O-C 3.44Å; V139-W147 WeakPolarHBondContact O-CA 3.37Å; Q140-W147 HydrophobicContact CB-CD2 3.95Å; Q140-W147 HydrophobicContact CB-CE3 4.21Å; Q140-W147 HydrophobicContact CB-CG 4.48Å; Q140-W147 HydrophobicContact CB-CH2 4.41Å; Q140-W147 HydrophobicContact CB-CZ2 4.12Å; Q140-W147 HydrophobicContact CB-CZ3 4.46Å; Q140-W147 HydrophobicContact CG-CD2 4.34Å; Q140-W147 HydrophobicContact CG-CG 4.48Å; W147-E180 PolarHBondContact N-OE1 3.33Å; W147-V184 HydrophobicContact CB-CB 4.42Å; W147-V184 HydrophobicContact CB-CG1 3.72Å; W147-V184 HydrophobicContact CB-CG2 3.75Å; W147-V184 VanDerWaalsContact CD1-CG1 3.43Å; W147-V184 HydrophobicContact CG-CG1 3.68Å; W147-I319 HydrophobicContact CD2-CD1 4.39Å; W147-I319 HydrophobicContact CD2-CG1 3.68Å; W147-I319 HydrophobicContact CE3-CD1 4.46Å; W147-I319 HydrophobicContact CE3-CG1 3.62Å; W147-I319 HydrophobicContact CG-CG1 4.27Å; W147-I319 HydrophobicContact CH2-CB 4.33Å; W147-I319 HydrophobicContact CH2-CG1 3.98Å; W147-I319 HydrophobicContact CZ2-CB 4.26Å; W147-I319 HydrophobicContact CZ2-CG1 4.08Å; W147-I319 HydrophobicContact CZ2-CG2 4.13Å; W147-I319 HydrophobicContact CZ3-CG1 3.75Å; W147-V322 HydrophobicContact CH2-CB 3.93Å; W147-V322 HydrophobicContact CH2-CG1 4.22Å; W147-V322 HydrophobicContact CH2-CG2 3.9Å; W147-V322 HydrophobicContact CZ2-CB 4.18Å; W147-V322 HydrophobicContact CZ2-CG1 4.15Å
148	R	94.5	Very high	93.1	Very high	33 Å²	33	50.3 Å²	50.3	13%	0.125	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.3	-178.8	-59.5	-60.3	179.7	-151.2	9	110.8	W138 V139 F161 C163 Q175 V178 L179	W138-R148 CarbonylContact C-O 3.59Å; W138-R148 WeakPolarHBondContact CA-O 3.44Å; V139-R148 PolarHBondContact N-O 2.79Å; V139-R148 PolarHBondContact O-N 3.49Å; R148-F161 HydrophobicContact CB-CE1 3.98Å; R148-F161 HydrophobicContact CB-CZ 3.85Å; R148-F161 HydrophobicContact CG-CE1 3.97Å; R148-F161 HydrophobicContact CG-CZ 4.05Å; R148-C163 PolarHBondContact NE-SG 3.41Å; R148-C163 VanDerWaalsContact NE-SG 3.39Å; R148-Q175 PolarHBondContact NH2-O 3.1Å; R148-V178 PolarHBondContact NH2-O 2.86Å; R148-L179 PolarHBondContact NH1-O 2.92Å
149	Q	93	Very high	92.9	Very high	110 Å²	110	55.1 Å²	55.1	51%	0.514	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	137.5	169.8	-71.4	-177.8	-11.2	0	0	109.9	P136 Y137 W138	P136-Q149 HydrophobicContact CB-CB 4.27Å; P136-Q149 HydrophobicContact CB-CG 4.21Å; P136-Q149 HydrophobicContact CG-CG 4.23Å; Y137-Q149 CarbonylContact O-C 3.54Å; Y137-Q149 VanDerWaalsContact O-CA 3.29Å; Y137-Q149 WeakPolarHBondContact O-CA 3.41Å; W138-Q149 HydrophobicContact CD2-CG 3.79Å; W138-Q149 HydrophobicContact CE3-CG 3.88Å; W138-Q149 HydrophobicContact CH2-CG 3.67Å; W138-Q149 HydrophobicContact CZ2-CG 3.56Å; W138-Q149 HydrophobicContact CZ3-CG 3.81Å
150	V	91.6	Very high	92.8	Very high	28 Å²	28	59.4 Å²	59.4	17%	0.17	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.2	175.6	-64.8	0	0	0	0	110.7	Y137 V139 S152 F161	Y137-V150 PolarHBondContact N-O 2.84Å; Y137-V150 PolarHBondContact O-N 2.67Å; V139-V150 HydrophobicContact CB-CG2 4.32Å; V139-V150 HydrophobicContact CG1-CB 4.34Å; V139-V150 HydrophobicContact CG1-CG1 3.56Å; V139-V150 HydrophobicContact CG1-CG2 3.78Å; V150-S152 WeakPolarHBondContact CG2-O 3.37Å; V150-F161 HydrophobicContact CG1-CE2 3.9Å; V150-F161 HydrophobicContact CG1-CZ 4.26Å
151	T	86.5	Confident	92.7	Very high	127 Å²	127	58.8 Å²	58.8	78%	0.779	31%	0.313	S	S	*	.	S	Bend	trans	-80.9	-29	-177.2	53.4	0	0	0	0	113
152	S	89.3	Confident	92.5	Very high	78 Å²	78	64.1 Å²	64.1	55%	0.545	33%	0.333	S	S	.	.			trans	-146.1	158	179.1	66.3	0	0	0	0	110.8	V150	V150-S152 WeakPolarHBondContact CG2-O 3.37Å
153	I	92.4	Very high	92.3	Very high	22 Å²	22	59.7 Å²	59.7	11%	0.113	32%	0.316	C	S	.	.			trans	-148.7	143.8	-179.9	-158.6	170.3	0	0	0	109.4	Y137 V139 V157 I158 I312	Y137-I153 HydrophobicContact CD1-CB 4.32Å; Y137-I153 HydrophobicContact CD1-CG2 3.4Å; Y137-I153 VanDerWaalsContact CD1-CG2 3.4Å; Y137-I153 HydrophobicContact CD2-CG2 4.29Å; Y137-I153 HydrophobicContact CE1-CG2 3.7Å; Y137-I153 HydrophobicContact CG-CB 4.18Å; Y137-I153 HydrophobicContact CG-CG2 3.74Å; V139-I153 HydrophobicContact CB-CD1 3.9Å; V139-I153 HydrophobicContact CG2-CD1 4.08Å; I153-V157 HydrophobicContact CG1-CG1 4.49Å; I153-I158 HydrophobicContact CD1-CD1 3.7Å; I153-I158 HydrophobicContact CD1-CG1 3.32Å; I153-I158 HydrophobicContact CG1-CD1 3.75Å; I153-I158 HydrophobicContact CG1-CG1 3.39Å; I153-I312 HydrophobicContact CG2-CG2 3.78Å
154	S	92.8	Very high	91.5	Very high	33 Å²	33	58.8 Å²	58.8	23%	0.231	31%	0.31	C	S	.	.			trans	-136.8	167.1	171	80.4	0	0	0	0	109	E156 V157 I158	S154-E156 VanDerWaalsContact CB-OE2 3.27Å; S154-E156 WeakPolarHBondContact CB-OE2 3.3Å; S154-E156 PolarHBondContact O-N 2.48Å; S154-E156 PolarHBondContact OG-N 3.29Å; S154-E156 PolarHBondContact OG-OE2 2.87Å; S154-V157 PolarHBondContact O-N 2.79Å; S154-V157 PolarHBondContact OG-N 3.31Å; S154-I158 WeakPolarHBondContact O-CD1 3.47Å; S154-I158 WeakPolarHBondContact O-CG1 3.43Å; S154-I158 PolarHBondContact O-N 3.07Å
155	P	93.3	Very high	90.4	Very high	29 Å²	29	62.6 Å²	62.6	19%	0.188	33%	0.328	C	S	.	.	H	α-helix	trans	-50.8	-43.3	173.2	-28.3	37.4	0	0	0	113	I158 Q159 Q309 F310 I312	P155-I158 PolarHBondContact O-N 3.07Å; P155-Q159 WeakPolarHBondContact O-CB 3.43Å; P155-Q159 PolarHBondContact O-N 3.17Å; P155-Q309 WeakPolarHBondContact CA-O 3.1Å; P155-Q309 HydrophobicContact CB-CB 4.18Å; P155-F310 HydrophobicContact CG-CD1 4.46Å; P155-F310 HydrophobicContact CG-CE1 4.33Å; P155-I312 HydrophobicContact CG-CD1 4.14Å
156	E	92.5	Very high	88.7	Confident	119 Å²	119	60.4 Å²	60.4	56%	0.556	32%	0.32	S	S	*	.	H	α-helix	trans	-65.7	-44.1	-179.9	-56.3	69.6	-147.9	0	0	111	S154 Q159 T160	S154-E156 VanDerWaalsContact CB-OE2 3.27Å; S154-E156 WeakPolarHBondContact CB-OE2 3.3Å; S154-E156 PolarHBondContact O-N 2.48Å; S154-E156 PolarHBondContact OG-N 3.29Å; S154-E156 PolarHBondContact OG-OE2 2.87Å; E156-Q159 PolarHBondContact O-N 3.29Å; E156-T160 PolarHBondContact O-N 2.59Å; E156-T160 VanDerWaalsContact O-N 3.12Å; E156-T160 PolarHBondContact O-OG1 3.15Å; E156-T160 VanDerWaalsContact O-OG1 3.04Å
157	V	92.7	Very high	86.6	Confident	54 Å²	54	64.5 Å²	64.5	33%	0.327	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-44.3	176	174.7	0	0	0	0	110.5	I153 S154 Q159 T160 F161	I153-V157 HydrophobicContact CG1-CG1 4.49Å; S154-V157 PolarHBondContact O-N 2.79Å; S154-V157 PolarHBondContact OG-N 3.31Å; V157-Q159 VanDerWaalsContact C-N 3.26Å; V157-Q159 PolarHBondContact O-N 3.17Å; V157-T160 PolarHBondContact O-N 3.28Å; V157-F161 WeakPolarHBondContact O-CA 3.43Å; V157-F161 WeakPolarHBondContact O-CB 3.26Å; V157-F161 PolarHBondContact O-N 2.78Å
158	I	94.7	Very high	84.5	Confident	3 Å²	3	65.5 Å²	65.5	2%	0.015	36%	0.356	C	S	.	.	H	α-helix	trans	-59.5	-40.9	178.8	-70.5	157.9	0	0	0	111.2	I153 S154 P155 R308 Q309 I312	I153-I158 HydrophobicContact CD1-CD1 3.7Å; I153-I158 HydrophobicContact CD1-CG1 3.32Å; I153-I158 HydrophobicContact CG1-CD1 3.75Å; I153-I158 HydrophobicContact CG1-CG1 3.39Å; S154-I158 WeakPolarHBondContact O-CD1 3.47Å; S154-I158 WeakPolarHBondContact O-CG1 3.43Å; S154-I158 PolarHBondContact O-N 3.07Å; P155-I158 PolarHBondContact O-N 3.07Å; I158-R308 HydrophobicContact CG2-CG 3.86Å; I158-Q309 WeakPolarHBondContact CD1-O 3.35Å; I158-I312 HydrophobicContact CD1-CG1 4.04Å
159	Q	92.8	Very high	82.5	Confident	106 Å²	106	73.6 Å²	73.6	50%	0.495	40%	0.395	S	S	.	.	H	α-helix	trans	-70.7	-33.5	-177.1	-169.2	177.3	11	0	0	112.5	R142 P155 E156 V157	R142-Q159 WeakPolarHBondContact CG-O 3.36Å; P155-Q159 WeakPolarHBondContact O-CB 3.43Å; P155-Q159 PolarHBondContact O-N 3.17Å; E156-Q159 PolarHBondContact O-N 3.29Å; V157-Q159 VanDerWaalsContact C-N 3.26Å; V157-Q159 PolarHBondContact O-N 3.17Å
160	T	92.9	Very high	80.6	Confident	90 Å²	90	74.4 Å²	74.4	55%	0.552	40%	0.402	S	S	*	.	H	α-helix	trans	-108.4	-6.3	-173.8	66	0	0	0	0	114.6	E156 V157 R162	E156-T160 PolarHBondContact O-N 2.59Å; E156-T160 VanDerWaalsContact O-N 3.12Å; E156-T160 PolarHBondContact O-OG1 3.15Å; E156-T160 VanDerWaalsContact O-OG1 3.04Å; V157-T160 PolarHBondContact O-N 3.28Å; T160-R162 PolarHBondContact O-N 3.24Å
161	F	92.9	Very high	78.8	Confident	17 Å²	17	75.7 Å²	75.7	8%	0.075	42%	0.422	C	S	.	.			trans	-59.5	121.2	-173.2	-179.7	-98.3	0	0	0	112.3	V139 C141 R142 R148 V150 V157 S166	V139-F161 HydrophobicContact CB-CD1 4.28Å; V139-F161 HydrophobicContact CB-CG 4.43Å; V139-F161 HydrophobicContact CG1-CD1 3.55Å; V139-F161 HydrophobicContact CG1-CD2 3.89Å; V139-F161 HydrophobicContact CG1-CE1 3.58Å; V139-F161 HydrophobicContact CG1-CE2 3.9Å; V139-F161 HydrophobicContact CG1-CG 3.72Å; V139-F161 HydrophobicContact CG1-CZ 3.76Å; V139-F161 HydrophobicContact CG2-CB 3.77Å; V139-F161 HydrophobicContact CG2-CD1 3.84Å; V139-F161 HydrophobicContact CG2-CG 3.82Å; C141-F161 HydrophobicContact CB-CD1 4.43Å; C141-F161 HydrophobicContact CB-CE1 4.29Å; R142-F161 WeakPolarHBondContact CG-O 3.32Å; R142-F161 PolarHBondContact N-O 3.12Å; R148-F161 HydrophobicContact CB-CE1 3.98Å; R148-F161 HydrophobicContact CB-CZ 3.85Å; R148-F161 HydrophobicContact CG-CE1 3.97Å; R148-F161 HydrophobicContact CG-CZ 4.05Å; V150-F161 HydrophobicContact CG1-CE2 3.9Å; V150-F161 HydrophobicContact CG1-CZ 4.26Å; V157-F161 WeakPolarHBondContact O-CA 3.43Å; V157-F161 WeakPolarHBondContact O-CB 3.26Å; V157-F161 PolarHBondContact O-N 2.78Å; F161-S166 WeakPolarHBondContact CE2-OG 3.36Å
162	R	91.3	Very high	77.4	Confident	112 Å²	112	78.2 Å²	78.2	42%	0.423	43%	0.425	S	S	.	.			trans	-130.7	138.2	171	-63.4	179.3	-177.9	-175.8	-0.7	108.5	R142 L143 T160 E164 N165	R142-R162 HydrophobicContact CB-CG 4.26Å; L143-R162 HydrophobicContact CB-CG 4.38Å; T160-R162 PolarHBondContact O-N 3.24Å; R162-E164 HydrophobicContact CB-CG 3.79Å; R162-E164 WeakPolarHBondContact CD-OE1 3.47Å; R162-E164 IonicContact CZ-OE1 3.88Å; R162-E164 IonicContact NE-OE1 3.74Å; R162-E164 IonicContact NH1-OE1 3.31Å; R162-E164 PolarHBondContact NH1-OE1 3.49Å; R162-E164 PolarHBondContact O-N 2.83Å; R162-E164 VanDerWaalsContact O-N 3.13Å; R162-N165 PolarHBondContact O-N 2.66Å
163	C	86.3	Confident	76.1	Confident	1 Å²	1	78.4 Å²	78.4	1%	0.007	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-52.1	-35.1	175.9	-72.5	0	0	0	0	111.8	C141 R148 N165 S166 Q175 C176	C141-C163 WeakPolarHBondContact CB-SG 3.44Å; C141-C163 PolarHBondContact SG-N 3.19Å; R148-C163 PolarHBondContact NE-SG 3.41Å; R148-C163 VanDerWaalsContact NE-SG 3.39Å; C163-N165 PolarHBondContact O-N 3.12Å; C163-S166 WeakPolarHBondContact O-CB 3.27Å; C163-S166 PolarHBondContact O-N 2.9Å; C163-Q175 HydrophobicContact CB-CB 3.65Å; C163-Q175 WeakPolarHBondContact O-CB 3.49Å; C163-C176 VanDerWaalsContact CB-SG 3.56Å
164	E	74.2	Confident	75.1	Confident	72 Å²	72	81.1 Å²	81.1	34%	0.336	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-57.6	-32.6	179.2	72.4	-167.7	170.3	0	0	113.9	R162 S166	R162-E164 HydrophobicContact CB-CG 3.79Å; R162-E164 WeakPolarHBondContact CD-OE1 3.47Å; R162-E164 IonicContact CZ-OE1 3.88Å; R162-E164 IonicContact NE-OE1 3.74Å; R162-E164 IonicContact NH1-OE1 3.31Å; R162-E164 PolarHBondContact NH1-OE1 3.49Å; R162-E164 PolarHBondContact O-N 2.83Å; R162-E164 VanDerWaalsContact O-N 3.13Å; E164-S166 VanDerWaalsContact C-N 3.26Å; E164-S166 PolarHBondContact O-N 2.88Å
165	N	69	Low	74.4	Confident	117 Å²	117	81.7 Å²	81.7	63%	0.626	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-81.2	-9.1	-179.8	-65.2	-22.8	0	0	0	112.7	R162 C163 L167	R162-N165 PolarHBondContact O-N 2.66Å; C163-N165 PolarHBondContact O-N 3.12Å; N165-L167 VanDerWaalsContact C-N 3.29Å; N165-L167 PolarHBondContact O-N 3.13Å
166	S	60.1	Low	74	Confident	51 Å²	51	81 Å²	81	36%	0.357	43%	0.432	S	S	.	.	S	Bend	trans	-94	62	173.1	-51.3	0	0	0	0	108.3	F161 C163 E164 A168 Q175	F161-S166 WeakPolarHBondContact CE2-OG 3.36Å; C163-S166 WeakPolarHBondContact O-CB 3.27Å; C163-S166 PolarHBondContact O-N 2.9Å; E164-S166 VanDerWaalsContact C-N 3.26Å; E164-S166 PolarHBondContact O-N 2.88Å; S166-A168 PolarHBondContact O-N 2.79Å; S166-A168 VanDerWaalsContact O-N 3.13Å; S166-Q175 VanDerWaalsContact O-CG 3.25Å; S166-Q175 WeakPolarHBondContact O-CG 3.48Å
167	L	50.7	Low	73.7	Confident	134 Å²	134	79.9 Å²	79.9	70%	0.702	43%	0.433	S	S	*	.			trans	-53.5	121.9	176.9	-72.1	164.4	0	0	0	108.6	N165	N165-L167 VanDerWaalsContact C-N 3.29Å; N165-L167 PolarHBondContact O-N 3.13Å
168	A	51.3	Low	73.3	Confident	40 Å²	40	80.1 Å²	80.1	33%	0.331	44%	0.435	S	S	.	.			trans	-59.3	148.8	159.8	0	0	0	0	0	107.5	S166 N170 G171	S166-A168 PolarHBondContact O-N 2.79Å; S166-A168 VanDerWaalsContact O-N 3.13Å; A168-N170 PolarHBondContact O-N 3.06Å; A168-G171 PolarHBondContact O-N 2.72Å
169	E	51.5	Low	73.1	Confident	203 Å²	203	87.1 Å²	87.1	95%	0.949	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-6.8	-176.1	-67.5	177.8	156	0	0	114.9
170	N	53.5	Low	73.2	Confident	126 Å²	126	84.6 Å²	84.6	67%	0.674	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	1.5	-169.8	-39	33.4	0	0	0	113.1	A168 E172	A168-N170 PolarHBondContact O-N 3.06Å; N170-E172 PolarHBondContact O-N 3.1Å
171	G	54.6	Low	73.1	Confident	56 Å²	56	83.5 Å²	83.5	58%	0.577	45%	0.45	S	S	*	.	S	Bend	trans	67.4	-6.8	170.5	0	0	0	0	0	118.5	A168	A168-G171 PolarHBondContact O-N 2.72Å
172	E	56.7	Low	73.1	Confident	180 Å²	180	87.2 Å²	87.2	84%	0.841	48%	0.476	S	S	*	.			trans	-108	-8.4	-163.5	-75.5	-178.1	166.6	0	0	117.1	N170	N170-E172 PolarHBondContact O-N 3.1Å
173	V	62.2	Low	73.1	Confident	81 Å²	81	83.2 Å²	83.2	49%	0.491	46%	0.464	S	S	.	.			trans	-121.1	114.1	-175.6	-173.6	0	0	0	0	111.6	Q175 V178	V173-Q175 PolarHBondContact O-N 3.01Å; V173-V178 HydrophobicContact CG1-CG2 4.1Å
174	N	71.2	Confident	73.5	Confident	80 Å²	80	83.4 Å²	83.4	43%	0.428	47%	0.465	S	S	.	.			trans	-58.7	106.5	166.8	179.8	-13.6	0	0	0	108.8	C176 T177	N174-C176 PolarHBondContact O-N 3.12Å; N174-C176 WeakPolarHBondContact OD1-CB 3.3Å; N174-C176 PolarHBondContact OD1-N 3.21Å; N174-T177 HydrophobicContact CB-CG2 4.33Å; N174-T177 PolarHBondContact O-N 3.04Å; N174-T177 PolarHBondContact O-OG1 3.26Å
175	Q	78.4	Confident	74.4	Confident	45 Å²	45	87.1 Å²	87.1	21%	0.21	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-12.1	-177.8	-69.1	-64.5	-34.3	0	0	113.7	R148 C163 S166 V173 T177	R148-Q175 PolarHBondContact NH2-O 3.1Å; C163-Q175 HydrophobicContact CB-CB 3.65Å; C163-Q175 WeakPolarHBondContact O-CB 3.49Å; S166-Q175 VanDerWaalsContact O-CG 3.25Å; S166-Q175 WeakPolarHBondContact O-CG 3.48Å; V173-Q175 PolarHBondContact O-N 3.01Å; Q175-T177 VanDerWaalsContact C-N 3.28Å; Q175-T177 PolarHBondContact O-N 2.72Å
176	C	85.1	Confident	75.5	Confident	14 Å²	14	84.8 Å²	84.8	10%	0.095	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.3	168.5	-70.2	0	0	0	0	113	C144 K146 C163 N174	C144-C176 HydrophobicContact CB-CB 3.89Å; C144-C176 PolarHBondContact SG-SG 3.06Å; K146-C176 PolarHBondContact NZ-O 3.34Å; C163-C176 VanDerWaalsContact CB-SG 3.56Å; N174-C176 PolarHBondContact O-N 3.12Å; N174-C176 WeakPolarHBondContact OD1-CB 3.3Å; N174-C176 PolarHBondContact OD1-N 3.21Å
177	T	84.8	Confident	77.1	Confident	96 Å²	96	82.4 Å²	82.4	59%	0.589	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-28.8	179.5	65.4	0	0	0	0	111.9	N174 Q175 L179	N174-T177 HydrophobicContact CB-CG2 4.33Å; N174-T177 PolarHBondContact O-N 3.04Å; N174-T177 PolarHBondContact O-OG1 3.26Å; Q175-T177 VanDerWaalsContact C-N 3.28Å; Q175-T177 PolarHBondContact O-N 2.72Å; T177-L179 PolarHBondContact O-N 3.49Å
178	V	86	Confident	79.2	Confident	59 Å²	59	80.2 Å²	80.2	36%	0.358	44%	0.437	S	S	.	.	S	Bend	trans	-56.5	135.6	175.6	-178.9	0	0	0	0	110.2	K146 R148 V173	K146-V178 PolarHBondContact NZ-O 2.99Å; R148-V178 PolarHBondContact NH2-O 2.86Å; V173-V178 HydrophobicContact CG1-CG2 4.1Å
179	L	90.8	Very high	81	Confident	149 Å²	149	81.3 Å²	81.3	78%	0.78	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-59.5	147.8	178.9	-70.9	173.1	0	0	0	111	R148 T177	R148-L179 PolarHBondContact NH1-O 2.92Å; T177-L179 PolarHBondContact O-N 3.49Å
180	E	93.5	Very high	82.4	Confident	53 Å²	53	77.7 Å²	77.7	25%	0.248	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-72.2	142	171.8	-174.2	175.8	-118.9	0	0	109.4	K146 W147 P182 V184	K146-E180 VanDerWaalsContact CA-OE1 3.31Å; K146-E180 WeakPolarHBondContact CA-OE1 3.44Å; K146-E180 HydrophobicContact CB-CB 4.35Å; K146-E180 HydrophobicContact CB-CG 4.46Å; K146-E180 HydrophobicContact CD-CB 4.35Å; K146-E180 HydrophobicContact CG-CB 4.21Å; W147-E180 PolarHBondContact N-OE1 3.33Å; E180-P182 WeakPolarHBondContact O-CD 3.5Å; E180-V184 HydrophobicContact CG-CB 4.15Å; E180-V184 HydrophobicContact CG-CG1 4.35Å; E180-V184 HydrophobicContact CG-CG2 3.97Å
181	N	91.5	Very high	83.8	Confident	68 Å²	68	76.3 Å²	76.3	36%	0.364	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-63.4	122.5	176.3	-172.6	-27.6	0	0	0	108.8	W138 V183 V184	W138-N181 HydrophobicContact CH2-CB 4.15Å; W138-N181 HydrophobicContact CZ3-CB 4.41Å; N181-V183 HydrophobicContact CB-CG2 4.36Å; N181-V183 PolarHBondContact O-N 3.33Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.26Å; N181-V183 PolarHBondContact OD1-N 2.83Å; N181-V184 WeakPolarHBondContact O-CB 3.06Å; N181-V184 VanDerWaalsContact O-CG2 3.23Å; N181-V184 WeakPolarHBondContact O-CG2 3.44Å; N181-V184 PolarHBondContact O-N 2.78Å
182	P	92	Very high	85.6	Confident	95 Å²	95	73.8 Å²	73.8	62%	0.617	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-58.3	-25.2	-172.6	21	-34.1	0	0	0	114.2	E180 V184 K185	E180-P182 WeakPolarHBondContact O-CD 3.5Å; P182-V184 PolarHBondContact O-N 3.32Å; P182-V184 VanDerWaalsContact O-N 3.1Å; P182-K185 PolarHBondContact O-N 3.44Å
183	V	92.1	Very high	87.3	Confident	27 Å²	27	66 Å²	66	16%	0.164	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-60.5	-21	178.1	-54.7	0	0	0	0	113.3	D88 W138 N181 K185 H186 P187 L316	D88-V183 HydrophobicContact CB-CB 4.2Å; D88-V183 HydrophobicContact CB-CG1 4.01Å; W138-V183 HydrophobicContact CH2-CG2 3.76Å; W138-V183 HydrophobicContact CZ2-CG2 4.02Å; N181-V183 HydrophobicContact CB-CG2 4.36Å; N181-V183 PolarHBondContact O-N 3.33Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.26Å; N181-V183 PolarHBondContact OD1-N 2.83Å; V183-K185 PolarHBondContact O-N 2.82Å; V183-K185 VanDerWaalsContact O-N 3.12Å; V183-H186 WeakPolarHBondContact O-CB 3.23Å; V183-H186 PolarHBondContact O-N 2.6Å; V183-P187 VanDerWaalsContact O-CD 3.23Å; V183-P187 WeakPolarHBondContact O-CD 3.47Å; V183-L316 HydrophobicContact CB-CD1 4.33Å; V183-L316 HydrophobicContact CG2-CD1 4.25Å; V183-L316 HydrophobicContact CG2-CD2 3.96Å
184	V	94.3	Very high	88.6	Confident	6 Å²	6	66.2 Å²	66.2	4%	0.036	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-58.5	-25.9	178.6	170.2	0	0	0	0	112.2	W138 W147 E180 N181 P182 P187 I319	W138-V184 HydrophobicContact CE3-CG2 3.99Å; W138-V184 HydrophobicContact CH2-CG2 3.96Å; W138-V184 HydrophobicContact CZ3-CG2 3.38Å; W147-V184 HydrophobicContact CB-CB 4.42Å; W147-V184 HydrophobicContact CB-CG1 3.72Å; W147-V184 HydrophobicContact CB-CG2 3.75Å; W147-V184 VanDerWaalsContact CD1-CG1 3.43Å; W147-V184 HydrophobicContact CG-CG1 3.68Å; E180-V184 HydrophobicContact CG-CB 4.15Å; E180-V184 HydrophobicContact CG-CG1 4.35Å; E180-V184 HydrophobicContact CG-CG2 3.97Å; N181-V184 WeakPolarHBondContact O-CB 3.06Å; N181-V184 VanDerWaalsContact O-CG2 3.23Å; N181-V184 WeakPolarHBondContact O-CG2 3.44Å; N181-V184 PolarHBondContact O-N 2.78Å; P182-V184 PolarHBondContact O-N 3.32Å; P182-V184 VanDerWaalsContact O-N 3.1Å; V184-P187 WeakPolarHBondContact O-CD 3.47Å; V184-I319 HydrophobicContact CB-CD1 4.2Å; V184-I319 HydrophobicContact CG1-CD1 3.91Å; V184-I319 HydrophobicContact CG2-CD1 4.15Å
185	K	92.6	Very high	89.6	Confident	149 Å²	149	64 Å²	64	65%	0.648	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-79.2	-23.4	178.5	-63.8	-177.6	179.5	-179.9	0	113	P182 V183 L188	P182-K185 PolarHBondContact O-N 3.44Å; V183-K185 PolarHBondContact O-N 2.82Å; V183-K185 VanDerWaalsContact O-N 3.12Å; K185-L188 PolarHBondContact O-N 3.44Å
186	H	92.8	Very high	90.3	Very high	69 Å²	69	63.5 Å²	63.5	32%	0.319	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-66.6	-38.6	-171.7	-61.5	176.2	0	0	0	113.7	D88 V183 L188 S189 W192	D88-H186 IonicContact OD1-CE1 3.51Å; D88-H186 IonicContact OD1-ND1 3.57Å; D88-H186 PolarHBondContact OD1-ND1 3.12Å; D88-H186 IonicContact OD2-CE1 2.84Å; D88-H186 IonicContact OD2-CG 2.84Å; D88-H186 IonicContact OD2-ND1 3.6Å; D88-H186 PolarHBondContact OD2-ND1 2.88Å; V183-H186 WeakPolarHBondContact O-CB 3.23Å; V183-H186 PolarHBondContact O-N 2.6Å; H186-L188 PolarHBondContact O-N 3.11Å; H186-L188 VanDerWaalsContact O-N 3.09Å; H186-S189 WeakPolarHBondContact O-CB 3.46Å; H186-S189 PolarHBondContact O-N 3.22Å; H186-S189 PolarHBondContact O-OG 3.15Å; H186-W192 VanDerWaalsContact C-CD1 3.46Å; H186-W192 WeakPolarHBondContact O-CB 3.17Å
187	P	94.4	Very high	90.6	Very high	1 Å²	1	65 Å²	65	1%	0.006	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-56.4	-24.9	175.5	-29.5	37.6	0	0	0	115.4	V183 V184 S189 W192 L316 I319 L320	V183-P187 VanDerWaalsContact O-CD 3.23Å; V183-P187 WeakPolarHBondContact O-CD 3.47Å; V184-P187 WeakPolarHBondContact O-CD 3.47Å; P187-S189 VanDerWaalsContact C-N 3.31Å; P187-W192 VanDerWaalsContact CA-CD2 3.5Å; P187-W192 HydrophobicContact CB-CD2 4.12Å; P187-W192 HydrophobicContact CB-CE3 4.15Å; P187-W192 HydrophobicContact CB-CH2 4.32Å; P187-W192 HydrophobicContact CB-CZ2 4.26Å; P187-W192 HydrophobicContact CB-CZ3 4.25Å; P187-W192 HydrophobicContact CG-CD2 4.42Å; P187-W192 HydrophobicContact CG-CH2 4.26Å; P187-W192 HydrophobicContact CG-CZ2 3.87Å; P187-L316 HydrophobicContact CG-CB 3.78Å; P187-L316 HydrophobicContact CG-CD2 4.36Å; P187-L316 HydrophobicContact CG-CG 4.49Å; P187-I319 HydrophobicContact CB-CB 4.38Å; P187-I319 HydrophobicContact CG-CB 4.42Å; P187-I319 HydrophobicContact CG-CD1 4.37Å; P187-L320 HydrophobicContact CB-CB 4.09Å
188	L	93.1	Very high	91	Very high	88 Å²	88	61.1 Å²	61.1	46%	0.461	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-86.9	-2.3	-179.7	-53.5	-178.8	0	0	0	112.9	K185 H186 I319 H323	K185-L188 PolarHBondContact O-N 3.44Å; H186-L188 PolarHBondContact O-N 3.11Å; H186-L188 VanDerWaalsContact O-N 3.09Å; L188-I319 HydrophobicContact CD2-CG2 4.37Å; L188-H323 HydrophobicContact CD2-CB 3.61Å
189	S	89.8	Confident	91.1	Very high	62 Å²	62	60.5 Å²	60.5	43%	0.434	33%	0.329	S	S	.	.	S	Bend	trans	-78.7	147.9	177.5	67.7	0	0	0	0	112	H186 P187 N191 W192	H186-S189 WeakPolarHBondContact O-CB 3.46Å; H186-S189 PolarHBondContact O-N 3.22Å; H186-S189 PolarHBondContact O-OG 3.15Å; P187-S189 VanDerWaalsContact C-N 3.31Å; S189-N191 PolarHBondContact O-N 3.3Å; S189-W192 WeakPolarHBondContact O-CB 3.39Å; S189-W192 PolarHBondContact O-N 2.99Å; S189-W192 VanDerWaalsContact O-N 3.16Å
190	V	80.5	Confident	91.3	Very high	128 Å²	128	53.6 Å²	53.6	78%	0.776	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	135.1	176.5	-173.9	0	0	0	0	109.5	W192	V190-W192 VanDerWaalsContact C-N 3.27Å; V190-W192 PolarHBondContact O-N 2.98Å
191	N	83.7	Confident	91.4	Very high	96 Å²	96	51.8 Å²	51.8	51%	0.513	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	0.6	-178.2	-52.3	-50.6	0	0	0	116.9	S189 Y193 H194 N195	S189-N191 PolarHBondContact O-N 3.3Å; N191-Y193 VanDerWaalsContact C-N 3.28Å; N191-Y193 PolarHBondContact O-N 3.28Å; N191-H194 PolarHBondContact O-N 3.45Å; N191-N195 PolarHBondContact O-N 3.29Å; N191-N195 PolarHBondContact O-ND2 3.27Å
192	W	92.9	Very high	91.6	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.015	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-46.1	176.3	-174.9	98.5	0	0	0	111.3	S86 H186 P187 S189 V190 H194 N195 L196 L316 V317 L320	S86-W192 VanDerWaalsContact CB-CZ2 3.47Å; S86-W192 WeakPolarHBondContact OG-CZ2 3.49Å; H186-W192 VanDerWaalsContact C-CD1 3.46Å; H186-W192 WeakPolarHBondContact O-CB 3.17Å; P187-W192 VanDerWaalsContact CA-CD2 3.5Å; P187-W192 HydrophobicContact CB-CD2 4.12Å; P187-W192 HydrophobicContact CB-CE3 4.15Å; P187-W192 HydrophobicContact CB-CH2 4.32Å; P187-W192 HydrophobicContact CB-CZ2 4.26Å; P187-W192 HydrophobicContact CB-CZ3 4.25Å; P187-W192 HydrophobicContact CG-CD2 4.42Å; P187-W192 HydrophobicContact CG-CH2 4.26Å; P187-W192 HydrophobicContact CG-CZ2 3.87Å; S189-W192 WeakPolarHBondContact O-CB 3.39Å; S189-W192 PolarHBondContact O-N 2.99Å; S189-W192 VanDerWaalsContact O-N 3.16Å; V190-W192 VanDerWaalsContact C-N 3.27Å; V190-W192 PolarHBondContact O-N 2.98Å; W192-H194 PolarHBondContact O-N 3.13Å; W192-N195 PolarHBondContact O-N 3.47Å; W192-L196 HydrophobicContact CE3-CD1 4.49Å; W192-L196 HydrophobicContact CE3-CD2 4.38Å; W192-L196 HydrophobicContact CE3-CG 4.31Å; W192-L196 HydrophobicContact CH2-CD2 3.59Å; W192-L196 HydrophobicContact CH2-CG 4.33Å; W192-L196 HydrophobicContact CZ2-CD2 4.26Å; W192-L196 HydrophobicContact CZ3-CD1 3.87Å; W192-L196 HydrophobicContact CZ3-CD2 3.67Å; W192-L196 HydrophobicContact CZ3-CG 3.89Å; W192-L316 HydrophobicContact CH2-CB 4.11Å; W192-L316 HydrophobicContact CZ2-CB 3.79Å; W192-V317 HydrophobicContact CH2-CB 3.89Å; W192-V317 HydrophobicContact CH2-CG2 4.47Å; W192-V317 HydrophobicContact CZ3-CB 4Å; W192-V317 HydrophobicContact CZ3-CG2 4.08Å; W192-L320 HydrophobicContact CE3-CD2 4.13Å; W192-L320 HydrophobicContact CZ3-CD2 4.3Å
193	Y	92.3	Very high	91.8	Very high	16 Å²	16	44.9 Å²	44.9	6%	0.063	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.8	-47	176.7	176.5	-116.1	0	0	0	113	N191 N195 L196 V200 Y276 D279 L282 L320	N191-Y193 VanDerWaalsContact C-N 3.28Å; N191-Y193 PolarHBondContact O-N 3.28Å; Y193-N195 PolarHBondContact O-N 3.34Å; Y193-L196 HydrophobicContact CD2-CD1 3.61Å; Y193-L196 HydrophobicContact CE2-CD1 4.03Å; Y193-L196 VanDerWaalsContact O-CB 3.29Å; Y193-L196 WeakPolarHBondContact O-CB 3.23Å; Y193-L196 WeakPolarHBondContact O-CG 3.46Å; Y193-L196 PolarHBondContact O-N 3.12Å; Y193-V200 HydrophobicContact CE2-CG2 3.88Å; Y193-Y276 HydrophobicContact CD1-CD1 4.23Å; Y193-Y276 HydrophobicContact CD1-CE1 4.13Å; Y193-Y276 AromaticContact CE1-CD1 3.82Å; Y193-Y276 HydrophobicContact CE1-CD1 3.82Å; Y193-Y276 HydrophobicContact CE1-CE1 4.09Å; Y193-D279 HydrophobicContact CE1-CB 4.07Å; Y193-D279 WeakPolarHBondContact CE1-O 3.28Å; Y193-D279 PolarHBondContact OH-O 2.69Å; Y193-D279 PolarHBondContact OH-OD1 3.28Å; Y193-L282 HydrophobicContact CD2-CB 4.28Å; Y193-L282 HydrophobicContact CD2-CD1 3.55Å; Y193-L282 HydrophobicContact CE1-CB 4.46Å; Y193-L282 HydrophobicContact CE2-CB 3.5Å; Y193-L282 VanDerWaalsContact CE2-CB 3.5Å; Y193-L282 HydrophobicContact CE2-CD1 3.62Å; Y193-L282 HydrophobicContact CE2-CG 4.21Å; Y193-L282 HydrophobicContact CG-CD1 4.27Å; Y193-L282 WeakPolarHBondContact OH-CB 3.23Å; Y193-L282 PolarHBondContact OH-N 2.82Å; Y193-L320 HydrophobicContact CD2-CD2 4.22Å; Y193-L320 HydrophobicContact CG-CD2 4.37Å
194	H	88.4	Confident	91.9	Very high	85 Å²	85	45.7 Å²	45.7	39%	0.394	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-65.8	-11.9	179.9	-62.7	-49.3	0	0	0	114.1	N191 W192 E275	N191-H194 PolarHBondContact O-N 3.45Å; W192-H194 PolarHBondContact O-N 3.13Å; H194-E275 PolarHBondContact CE1-O 2.95Å
195	N	91.9	Very high	92	Very high	35 Å²	35	45.5 Å²	45.5	19%	0.187	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-100.2	3.9	174.5	-70.6	-78.8	0	0	0	113	N55 A57 H84 N191 W192 Y193	N55-N195 PolarHBondContact OD1-OD1 3.5Å; A57-N195 HydrophobicContact CB-CB 3.77Å; A57-N195 WeakPolarHBondContact CB-OD1 3.34Å; H84-N195 PolarHBondContact CD2-O 3.23Å; H84-N195 PolarHBondContact NE2-O 3.3Å; N191-N195 PolarHBondContact O-N 3.29Å; N191-N195 PolarHBondContact O-ND2 3.27Å; W192-N195 PolarHBondContact O-N 3.47Å; Y193-N195 PolarHBondContact O-N 3.34Å
196	L	93.3	Very high	92.2	Very high	33 Å²	33	38.4 Å²	38.4	17%	0.173	21%	0.213	C	C	.	.			trans	-63.8	138.6	167.4	-71.8	175.7	0	0	0	110.5	S86 W192 Y193 V200 V317	S86-L196 VanDerWaalsContact CB-CD2 3.45Å; W192-L196 HydrophobicContact CE3-CD1 4.49Å; W192-L196 HydrophobicContact CE3-CD2 4.38Å; W192-L196 HydrophobicContact CE3-CG 4.31Å; W192-L196 HydrophobicContact CH2-CD2 3.59Å; W192-L196 HydrophobicContact CH2-CG 4.33Å; W192-L196 HydrophobicContact CZ2-CD2 4.26Å; W192-L196 HydrophobicContact CZ3-CD1 3.87Å; W192-L196 HydrophobicContact CZ3-CD2 3.67Å; W192-L196 HydrophobicContact CZ3-CG 3.89Å; Y193-L196 HydrophobicContact CD2-CD1 3.61Å; Y193-L196 HydrophobicContact CE2-CD1 4.03Å; Y193-L196 VanDerWaalsContact O-CB 3.29Å; Y193-L196 WeakPolarHBondContact O-CB 3.23Å; Y193-L196 WeakPolarHBondContact O-CG 3.46Å; Y193-L196 PolarHBondContact O-N 3.12Å; L196-V200 HydrophobicContact CD1-CG2 4.11Å; L196-V317 HydrophobicContact CD1-CB 4.44Å; L196-V317 HydrophobicContact CD1-CG2 3.8Å
197	S	92.9	Very high	92.4	Very high	45 Å²	45	35.1 Å²	35.1	32%	0.315	20%	0.198	S	C	.	.	S	Bend	trans	-99.5	-1	176.8	67.4	0	0	0	0	114.3	H84 I85	H84-S197 PolarHBondContact O-OG 3.34Å; I85-S197 VanDerWaalsContact CA-OG 3.26Å; I85-S197 WeakPolarHBondContact CA-OG 3.48Å; I85-S197 PolarHBondContact O-N 2.9Å; I85-S197 PolarHBondContact O-OG 3Å
198	T	91.5	Very high	92.5	Very high	16 Å²	16	35.1 Å²	35.1	10%	0.098	20%	0.198	C	C	.	.	S	Bend	trans	-132	141.9	178.9	55.1	0	0	0	0	109.3	K127 A131	K127-T198 HydrophobicContact CB-CG2 3.77Å; A131-T198 HydrophobicContact CB-CG2 4.03Å
199	P	90	Very high	92.6	Very high	45 Å²	45	31.9 Å²	31.9	29%	0.292	18%	0.18	S	C	.	.			trans	-63.8	154.1	175	29.2	-35.5	0	0	0	111	M201	P199-M201 HydrophobicContact CG-CE 4.31Å; P199-M201 HydrophobicContact CG-SD 4.4Å
200	V	93.8	Very high	92.8	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.03	17%	0.167	C	C	.	.			trans	-79.7	128.5	175.2	-178	0	0	0	0	109.7	Y193 L196 L282 V317 L321	Y193-V200 HydrophobicContact CE2-CG2 3.88Å; L196-V200 HydrophobicContact CD1-CG2 4.11Å; V200-L282 HydrophobicContact CG2-CB 4.25Å; V200-L282 HydrophobicContact CG2-CD1 4.47Å; V200-V317 HydrophobicContact CG1-CG2 4.43Å; V200-V317 HydrophobicContact CG2-CG2 3.68Å; V200-L321 HydrophobicContact CG1-CD1 3.78Å; V200-L321 HydrophobicContact CG1-CD2 3.91Å; V200-L321 HydrophobicContact CG1-CG 4.13Å
201	M	95.3	Very high	93.5	Very high	14 Å²	14	24.6 Å²	24.6	7%	0.069	13%	0.13	C	C	.	.			trans	-141.6	122.8	-177.1	-66.6	174.8	-65.9	0	0	110.3	W115 E132 P199 D218 G221 C313	W115-M201 HydrophobicContact CH2-CE 3.71Å; W115-M201 HydrophobicContact CH2-SD 3.43Å; W115-M201 WeakPolarHBondContact CH2-SD 3.34Å; W115-M201 HydrophobicContact CZ2-SD 4.48Å; W115-M201 HydrophobicContact CZ3-CE 3.81Å; W115-M201 HydrophobicContact CZ3-SD 3.84Å; E132-M201 HydrophobicContact CG-CE 3.86Å; P199-M201 HydrophobicContact CG-CE 4.31Å; P199-M201 HydrophobicContact CG-SD 4.4Å; M201-D218 HydrophobicContact SD-CB 3.95Å; M201-G221 WeakPolarHBondContact CA-O 3.31Å; M201-C313 WeakPolarHBondContact O-CB 3.35Å
202	L	97.1	Very high	93.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-86.1	133.2	177	-59.9	-179.8	0	0	0	110.8	G221 M222 S223 S285 L289 L311 L321	L202-G221 PolarHBondContact N-O 3.02Å; L202-M222 CarbonylContact O-C 3.57Å; L202-M222 WeakPolarHBondContact O-CA 3.11Å; L202-S223 WeakPolarHBondContact O-CB 3.42Å; L202-S223 PolarHBondContact O-N 3.41Å; L202-S285 WeakPolarHBondContact CD1-O 3.43Å; L202-L289 HydrophobicContact CD1-CB 4.45Å; L202-L289 HydrophobicContact CD1-CD2 4.29Å; L202-L311 HydrophobicContact CD1-CD2 3.88Å; L202-L311 HydrophobicContact CD2-CD2 4.07Å; L202-L321 HydrophobicContact CD2-CD1 3.73Å
203	K	95.4	Very high	93.8	Very high	19 Å²	19	26.9 Å²	26.9	8%	0.083	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	137.4	171.3	-66.5	-175	177.6	-64	0	109.5	E132 S205 S223 T225 I312	E132-K203 WeakPolarHBondContact O-CE 3.48Å; E132-K203 PolarHBondContact O-NZ 3.22Å; E132-K203 IonicContact OE1-NZ 2.93Å; E132-K203 PolarHBondContact OE1-NZ 3.21Å; K203-S205 VanDerWaalsContact C-N 3.28Å; K203-S205 PolarHBondContact O-N 3.44Å; K203-S223 PolarHBondContact NZ-OG 2.93Å; K203-S223 VanDerWaalsContact NZ-OG 3.14Å; K203-T225 PolarHBondContact NZ-OG1 3.11Å; K203-T225 VanDerWaalsContact NZ-OG1 3.11Å; K203-I312 HydrophobicContact CB-CG2 4.12Å; K203-I312 PolarHBondContact N-O 2.92Å
204	N	94.7	Very high	93.8	Very high	43 Å²	43	30.6 Å²	30.6	23%	0.23	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	43.4	174.8	-51	-21.9	0	0	0	112.6	S226 R227 L228 Y235	N204-S226 PolarHBondContact N-OG 3.39Å; N204-S226 WeakPolarHBondContact OD1-CB 3.31Å; N204-R227 PolarHBondContact OD1-N 2.9Å; N204-L228 HydrophobicContact CB-CD1 3.83Å; N204-L228 HydrophobicContact CB-CG 4.21Å; N204-Y235 PolarHBondContact O-OH 3.17Å
205	S	96.3	Very high	94.1	Very high	2 Å²	2	28 Å²	28	1%	0.014	15%	0.15	C	C	.	.			trans	-71.8	131.9	177.2	177	0	0	0	0	110.5	K203 A207 G208 W231	K203-S205 VanDerWaalsContact C-N 3.28Å; K203-S205 PolarHBondContact O-N 3.44Å; S205-A207 PolarHBondContact O-N 3.18Å; S205-A207 PolarHBondContact OG-N 2.87Å; S205-G208 PolarHBondContact O-N 2.89Å; S205-W231 WeakPolarHBondContact O-CZ3 3.49Å
206	P	96.7	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.8	-26.7	169.4	-29.8	29.5	0	0	0	115.5	G208 R209 Y235 L289 A292 L293 I296 F310	P206-G208 PolarHBondContact O-N 2.96Å; P206-R209 WeakPolarHBondContact O-CB 3.48Å; P206-R209 PolarHBondContact O-N 3.05Å; P206-Y235 HydrophobicContact CB-CD1 4.17Å; P206-Y235 HydrophobicContact CB-CE1 4.02Å; P206-Y235 HydrophobicContact CB-CE2 4.44Å; P206-Y235 HydrophobicContact CB-CG 4.46Å; P206-Y235 HydrophobicContact CG-CD1 4.29Å; P206-Y235 HydrophobicContact CG-CE1 3.69Å; P206-L289 HydrophobicContact CB-CD1 4.3Å; P206-L289 VanDerWaalsContact CD-CD1 3.47Å; P206-L289 HydrophobicContact CG-CD1 3.73Å; P206-A292 HydrophobicContact CB-CB 4.25Å; P206-L293 HydrophobicContact CB-CD2 4.13Å; P206-L293 HydrophobicContact CB-CG 4.42Å; P206-L293 HydrophobicContact CG-CD2 3.75Å; P206-L293 HydrophobicContact CG-CG 4.24Å; P206-I296 HydrophobicContact CB-CD1 3.85Å; P206-F310 HydrophobicContact CG-CB 4.21Å; P206-F310 HydrophobicContact CG-CD1 3.56Å; P206-F310 HydrophobicContact CG-CD2 4.39Å; P206-F310 HydrophobicContact CG-CE1 3.99Å; P206-F310 HydrophobicContact CG-CG 3.79Å
207	A	97.1	Very high	94.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.5	174	0	0	0	0	0	113.8	S205 R209 F210 L211 M222 N288 A292	S205-A207 PolarHBondContact O-N 3.18Å; S205-A207 PolarHBondContact OG-N 2.87Å; A207-R209 PolarHBondContact O-N 3.23Å; A207-F210 PolarHBondContact O-N 3.21Å; A207-L211 HydrophobicContact CB-CD1 4.16Å; A207-L211 WeakPolarHBondContact O-CB 3.28Å; A207-L211 WeakPolarHBondContact O-CG 3.2Å; A207-L211 PolarHBondContact O-N 2.82Å; A207-M222 HydrophobicContact CB-SD 4.09Å; A207-N288 HydrophobicContact CB-CB 4.08Å; A207-A292 VanDerWaalsContact CA-CB 3.47Å; A207-A292 HydrophobicContact CB-CB 3.91Å
208	G	95.4	Very high	94.3	Very high	2 Å²	2	29 Å²	29	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-28.5	176.5	0	0	0	0	0	113.3	S205 P206 F210 L211 A212 M222	S205-G208 PolarHBondContact O-N 2.89Å; P206-G208 PolarHBondContact O-N 2.96Å; G208-F210 PolarHBondContact O-N 3.42Å; G208-L211 PolarHBondContact O-N 3.37Å; G208-A212 WeakPolarHBondContact O-CB 3.49Å; G208-A212 PolarHBondContact O-N 2.94Å; G208-M222 PolarHBondContact N-SD 3.23Å; G208-M222 VanDerWaalsContact N-SD 3.42Å
209	R	95.2	Very high	94.4	Very high	19 Å²	19	32 Å²	32	7%	0.072	16%	0.159	C	C	.	.	H	α-helix	trans	-54.3	-38.2	172.1	175.8	174.4	173.7	89	14.2	113.2	P206 A207 W231 H232 Y235 M237 E242	P206-R209 WeakPolarHBondContact O-CB 3.48Å; P206-R209 PolarHBondContact O-N 3.05Å; A207-R209 PolarHBondContact O-N 3.23Å; R209-W231 HydrophobicContact CB-CB 4.3Å; R209-H232 VanDerWaalsContact NH1-CA 3.3Å; R209-H232 PolarHBondContact NH1-O 2.7Å; R209-H232 VanDerWaalsContact NH1-O 3.13Å; R209-Y235 WeakPolarHBondContact CD-O 3.35Å; R209-Y235 VanDerWaalsContact CZ-O 3.27Å; R209-Y235 PolarHBondContact NE-O 2.87Å; R209-Y235 PolarHBondContact NH1-O 3.21Å; R209-M237 PolarHBondContact NE-SD 3.27Å; R209-E242 IonicContact CZ-OE1 2.74Å; R209-E242 IonicContact NH2-OE1 2.99Å; R209-E242 PolarHBondContact NH2-OE1 3.06Å
210	F	95.3	Very high	94.6	Very high	38 Å²	38	29.9 Å²	29.9	17%	0.167	15%	0.145	C	C	.	.	H	α-helix	trans	-96.4	-25.7	-177.2	-56.4	-85.6	0	0	0	112.5	A207 G208 M237 P247 F248 A292 I296	A207-F210 PolarHBondContact O-N 3.21Å; G208-F210 PolarHBondContact O-N 3.42Å; F210-M237 HydrophobicContact CE1-CE 4.39Å; F210-M237 HydrophobicContact CE1-SD 3.98Å; F210-M237 HydrophobicContact CZ-CE 4.34Å; F210-M237 HydrophobicContact CZ-SD 3.68Å; F210-P247 HydrophobicContact CD1-CG 4.37Å; F210-P247 HydrophobicContact CE1-CG 4.35Å; F210-F248 HydrophobicContact CB-CD2 3.67Å; F210-F248 HydrophobicContact CB-CE2 4.05Å; F210-F248 HydrophobicContact CD2-CD2 4.49Å; F210-F248 HydrophobicContact CD2-CE2 4.12Å; F210-F248 HydrophobicContact CG-CD2 4.11Å; F210-F248 HydrophobicContact CG-CE2 4.2Å; F210-A292 HydrophobicContact CD2-CB 4.1Å; F210-A292 HydrophobicContact CE2-CB 3.99Å; F210-I296 HydrophobicContact CE2-CD1 4.37Å; F210-I296 HydrophobicContact CE2-CG1 4.09Å; F210-I296 HydrophobicContact CZ-CG1 4.27Å
211	L	95.4	Very high	94.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-117.9	-23.7	-162.9	-60.5	-179.5	0	0	0	114.8	A207 G208 N213 E214 Y215 V220 M222 F248 P262	A207-L211 HydrophobicContact CB-CD1 4.16Å; A207-L211 WeakPolarHBondContact O-CB 3.28Å; A207-L211 WeakPolarHBondContact O-CG 3.2Å; A207-L211 PolarHBondContact O-N 2.82Å; G208-L211 PolarHBondContact O-N 3.37Å; L211-N213 VanDerWaalsContact C-N 3.26Å; L211-N213 PolarHBondContact O-N 3.11Å; L211-E214 PolarHBondContact O-N 2.97Å; L211-E214 VanDerWaalsContact O-N 3.11Å; L211-Y215 HydrophobicContact CD2-CD2 3.81Å; L211-Y215 HydrophobicContact CD2-CE2 4.17Å; L211-Y215 PolarHBondContact O-N 3.17Å; L211-V220 HydrophobicContact CD1-CB 4.28Å; L211-V220 HydrophobicContact CD1-CG2 4.27Å; L211-M222 HydrophobicContact CB-CE 3.71Å; L211-M222 HydrophobicContact CD1-CE 4.46Å; L211-F248 HydrophobicContact CD1-CD2 4.39Å; L211-F248 HydrophobicContact CD1-CE2 4.38Å; L211-F248 HydrophobicContact CD2-CB 3.79Å; L211-F248 HydrophobicContact CD2-CD1 4.49Å; L211-F248 HydrophobicContact CD2-CD2 3.84Å; L211-F248 HydrophobicContact CD2-CG 3.78Å; L211-F248 HydrophobicContact CG-CD2 4.08Å; L211-F248 HydrophobicContact CG-CE2 4.39Å; L211-F248 HydrophobicContact CG-CG 4.42Å; L211-P262 HydrophobicContact CD1-CB 3.63Å; L211-P262 HydrophobicContact CD1-CG 4.44Å; L211-P262 HydrophobicContact CD2-CB 3.73Å; L211-P262 HydrophobicContact CD2-CG 3.69Å; L211-P262 HydrophobicContact CG-CB 4.36Å
212	A	92.1	Very high	94.7	Very high	17 Å²	17	29.1 Å²	29.1	14%	0.14	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.2	-167.3	0	0	0	0	0	114	G208 W231	G208-A212 WeakPolarHBondContact O-CB 3.49Å; G208-A212 PolarHBondContact O-N 2.94Å; A212-W231 HydrophobicContact CB-CD2 4.29Å; A212-W231 HydrophobicContact CB-CG 4.26Å; A212-W231 HydrophobicContact CB-CZ2 4.19Å
213	N	89.5	Confident	94.6	Very high	130 Å²	130	29.2 Å²	29.2	70%	0.695	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-10.5	179.2	-65	-27.1	0	0	0	113.4	L211	L211-N213 VanDerWaalsContact C-N 3.26Å; L211-N213 PolarHBondContact O-N 3.11Å
214	E	92.3	Very high	94.6	Very high	94 Å²	94	28.5 Å²	28.5	44%	0.439	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-29.7	-169	-60.1	-62.6	153.9	0	0	112.1	L211 L250 P251	L211-E214 PolarHBondContact O-N 2.97Å; L211-E214 VanDerWaalsContact O-N 3.11Å; E214-L250 HydrophobicContact CB-CD2 4.04Å; E214-L250 HydrophobicContact CG-CD2 3.82Å; E214-P251 VanDerWaalsContact O-CG 3.28Å; E214-P251 WeakPolarHBondContact O-CG 3.46Å
215	Y	94.5	Very high	94.5	Very high	32 Å²	32	26.7 Å²	26.7	13%	0.125	13%	0.13	C	C	.	.	S	Bend	trans	-123.7	151.6	-178.6	-77.1	-95.8	0	0	0	111.5	L211 C217 V220 Y249 P251 P262 D263	L211-Y215 HydrophobicContact CD2-CD2 3.81Å; L211-Y215 HydrophobicContact CD2-CE2 4.17Å; L211-Y215 PolarHBondContact O-N 3.17Å; Y215-C217 PolarHBondContact O-N 3.29Å; Y215-V220 HydrophobicContact CD1-CG1 3.79Å; Y215-V220 HydrophobicContact CG-CG1 3.93Å; Y215-Y249 WeakPolarHBondContact CE2-O 3.36Å; Y215-Y249 PolarHBondContact OH-O 2.99Å; Y215-P251 HydrophobicContact CD2-CG 4.47Å; Y215-P251 HydrophobicContact CE1-CG 4.34Å; Y215-P251 HydrophobicContact CE2-CG 4.03Å; Y215-P262 HydrophobicContact CD1-CG 3.98Å; Y215-P262 HydrophobicContact CD2-CG 3.88Å; Y215-P262 HydrophobicContact CE1-CG 3.63Å; Y215-P262 HydrophobicContact CE2-CG 3.5Å; Y215-P262 HydrophobicContact CG-CG 4.12Å; Y215-D263 HydrophobicContact CE1-CB 4.39Å
216	Y	94.6	Very high	94.2	Very high	118 Å²	118	27.9 Å²	27.9	46%	0.463	14%	0.138	S	C	.	.			trans	-66.6	118.3	165.2	-65.8	-74	0	0	0	109.6	G119 K121 D218 L219	G119-Y216 CarbonylContact O-C 3.57Å; G119-Y216 WeakPolarHBondContact O-CA 3.38Å; G119-Y216 WeakPolarHBondContact O-CB 3.14Å; G119-Y216 WeakPolarHBondContact O-CD1 3.5Å; K121-Y216 HydrophobicContact CB-CD1 3.78Å; K121-Y216 HydrophobicContact CB-CD2 3.98Å; K121-Y216 HydrophobicContact CB-CE1 4.3Å; K121-Y216 HydrophobicContact CB-CE2 4.44Å; K121-Y216 HydrophobicContact CB-CG 3.61Å; K121-Y216 HydrophobicContact CD-CD2 3.67Å; K121-Y216 HydrophobicContact CD-CE2 3.84Å; K121-Y216 HydrophobicContact CD-CG 4.2Å; K121-Y216 HydrophobicContact CG-CD1 4.39Å; K121-Y216 HydrophobicContact CG-CD2 4.06Å; K121-Y216 HydrophobicContact CG-CE1 4.47Å; K121-Y216 HydrophobicContact CG-CE2 4.13Å; K121-Y216 HydrophobicContact CG-CG 4.18Å; Y216-D218 VanDerWaalsContact C-N 3.25Å; Y216-D218 PolarHBondContact O-N 3.31Å; Y216-D218 VanDerWaalsContact O-N 3.15Å; Y216-L219 HydrophobicContact CD2-CD1 4.31Å; Y216-L219 PolarHBondContact O-N 2.67Å
217	C	94.6	Very high	93.1	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.034	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-51	-43.7	-172.5	-70.7	0	0	0	0	112.8	G118 G119 Y215 L219 V220 G221 M222 P224	G118-C217 PolarHBondContact O-SG 3.41Å; G118-C217 VanDerWaalsContact O-SG 3.39Å; G119-C217 PolarHBondContact O-N 2.98Å; Y215-C217 PolarHBondContact O-N 3.29Å; C217-L219 PolarHBondContact O-N 3.07Å; C217-V220 VanDerWaalsContact O-CG2 3.3Å; C217-V220 WeakPolarHBondContact O-CG2 3.33Å; C217-V220 PolarHBondContact O-N 3.09Å; C217-G221 PolarHBondContact O-N 2.61Å; C217-M222 CarbonylContact C-O 3.56Å; C217-M222 HydrophobicContact CB-CB 4.01Å; C217-M222 CarbonylContact O-C 3.59Å; C217-M222 WeakPolarHBondContact O-CA 3.1Å; C217-M222 WeakPolarHBondContact O-CB 3.48Å; C217-M222 PolarHBondContact O-N 2.73Å; C217-P224 HydrophobicContact CB-CB 4.34Å; C217-P224 HydrophobicContact CB-CG 4.06Å
218	D	93	Very high	92.3	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.059	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-69.8	-18.5	-176.5	63.5	-42.3	0	0	0	114	W115 G120 K121 S122 M201 Y216 M222 P224	W115-D218 HydrophobicContact CH2-CB 4.2Å; W115-D218 HydrophobicContact CZ2-CB 3.95Å; G120-D218 WeakPolarHBondContact CA-OD1 3.2Å; K121-D218 PolarHBondContact N-OD1 3.42Å; K121-D218 PolarHBondContact N-OD2 3.02Å; S122-D218 WeakPolarHBondContact CA-OD2 3.13Å; S122-D218 WeakPolarHBondContact CB-OD2 3.42Å; S122-D218 PolarHBondContact N-OD2 2.82Å; S122-D218 PolarHBondContact OG-OD2 2.67Å; M201-D218 HydrophobicContact SD-CB 3.95Å; Y216-D218 VanDerWaalsContact C-N 3.25Å; Y216-D218 PolarHBondContact O-N 3.31Å; Y216-D218 VanDerWaalsContact O-N 3.15Å; D218-M222 WeakPolarHBondContact CA-O 3.37Å; D218-M222 PolarHBondContact N-O 3.06Å; D218-P224 HydrophobicContact CB-CG 3.83Å
219	L	93.4	Very high	91.4	Very high	77 Å²	77	47.7 Å²	47.7	40%	0.403	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-85.7	-15.7	175.2	-62.3	-169.8	0	0	0	113.7	K121 Y216 C217	K121-L219 HydrophobicContact CB-CG 4.47Å; K121-L219 HydrophobicContact CD-CD1 3.61Å; K121-L219 HydrophobicContact CD-CG 4.34Å; Y216-L219 HydrophobicContact CD2-CD1 4.31Å; Y216-L219 PolarHBondContact O-N 2.67Å; C217-L219 PolarHBondContact O-N 3.07Å
220	V	95.3	Very high	91	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	19	-179	-63.2	0	0	0	0	112.1	L211 Y215 C217 M222 P262 D263 N288	L211-V220 HydrophobicContact CD1-CB 4.28Å; L211-V220 HydrophobicContact CD1-CG2 4.27Å; Y215-V220 HydrophobicContact CD1-CG1 3.79Å; Y215-V220 HydrophobicContact CG-CG1 3.93Å; C217-V220 VanDerWaalsContact O-CG2 3.3Å; C217-V220 WeakPolarHBondContact O-CG2 3.33Å; C217-V220 PolarHBondContact O-N 3.09Å; V220-M222 HydrophobicContact CG2-CE 3.61Å; V220-M222 HydrophobicContact CG2-CG 4.33Å; V220-P262 HydrophobicContact CB-CB 4.47Å; V220-P262 HydrophobicContact CG1-CB 3.93Å; V220-P262 HydrophobicContact CG1-CG 4.13Å; V220-D263 HydrophobicContact CG1-CB 4.07Å; V220-N288 PolarHBondContact O-ND2 3.39Å
221	G	94.7	Very high	90.8	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.01	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	22.3	176.5	0	0	0	0	0	114.5	M201 L202 C217	M201-G221 WeakPolarHBondContact CA-O 3.31Å; L202-G221 PolarHBondContact N-O 3.02Å; C217-G221 PolarHBondContact O-N 2.61Å
222	M	96.1	Very high	90.6	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.015	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-114.8	150.5	178.6	-61.6	-166.6	-64.3	0	0	112	L202 A207 G208 L211 C217 D218 V220 P224	L202-M222 CarbonylContact O-C 3.57Å; L202-M222 WeakPolarHBondContact O-CA 3.11Å; A207-M222 HydrophobicContact CB-SD 4.09Å; G208-M222 PolarHBondContact N-SD 3.23Å; G208-M222 VanDerWaalsContact N-SD 3.42Å; L211-M222 HydrophobicContact CB-CE 3.71Å; L211-M222 HydrophobicContact CD1-CE 4.46Å; C217-M222 CarbonylContact C-O 3.56Å; C217-M222 HydrophobicContact CB-CB 4.01Å; C217-M222 CarbonylContact O-C 3.59Å; C217-M222 WeakPolarHBondContact O-CA 3.1Å; C217-M222 WeakPolarHBondContact O-CB 3.48Å; C217-M222 PolarHBondContact O-N 2.73Å; D218-M222 WeakPolarHBondContact CA-O 3.37Å; D218-M222 PolarHBondContact N-O 3.06Å; V220-M222 HydrophobicContact CG2-CE 3.61Å; V220-M222 HydrophobicContact CG2-CG 4.33Å; M222-P224 WeakPolarHBondContact O-CD 3.29Å
223	S	95.8	Very high	90.6	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.007	29%	0.285	C	S	.	.			trans	-77.6	121.6	176.5	171.5	0	0	0	0	110.3	E132 L202 K203 T225 S226	E132-S223 VanDerWaalsContact OE1-CB 3.27Å; E132-S223 WeakPolarHBondContact OE1-CB 3.3Å; E132-S223 PolarHBondContact OE1-OG 3.02Å; L202-S223 WeakPolarHBondContact O-CB 3.42Å; L202-S223 PolarHBondContact O-N 3.41Å; K203-S223 PolarHBondContact NZ-OG 2.93Å; K203-S223 VanDerWaalsContact NZ-OG 3.14Å; S223-T225 PolarHBondContact O-N 3.29Å; S223-T225 PolarHBondContact OG-N 2.88Å; S223-T225 PolarHBondContact OG-OG1 3.32Å; S223-T225 VanDerWaalsContact OG-OG1 3.08Å; S223-S226 PolarHBondContact O-N 3.4Å; S223-S226 PolarHBondContact O-OG 3.4Å
224	P	94.3	Very high	90.7	Very high	5 Å²	5	54 Å²	54	3%	0.032	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-6.6	172	-20.4	33.5	0	0	0	113.8	W115 G118 C217 D218 M222	W115-P224 HydrophobicContact CD2-CB 4.23Å; W115-P224 HydrophobicContact CD2-CG 3.96Å; W115-P224 HydrophobicContact CE3-CB 4.36Å; W115-P224 HydrophobicContact CE3-CG 4.01Å; W115-P224 HydrophobicContact CG-CB 4.42Å; W115-P224 HydrophobicContact CH2-CG 4.18Å; W115-P224 HydrophobicContact CZ2-CG 4.08Å; W115-P224 HydrophobicContact CZ3-CG 4.13Å; W115-P224 WeakPolarHBondContact O-CB 3.48Å; G118-P224 WeakPolarHBondContact CA-O 3.43Å; G118-P224 WeakPolarHBondContact O-CA 3.42Å; C217-P224 HydrophobicContact CB-CB 4.34Å; C217-P224 HydrophobicContact CB-CG 4.06Å; D218-P224 HydrophobicContact CB-CG 3.83Å; M222-P224 WeakPolarHBondContact O-CD 3.29Å
225	T	93.7	Very high	90.8	Very high	5 Å²	5	51 Å²	51	3%	0.031	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	19.1	-178.5	63.2	0	0	0	0	112.8	R114 W115 E132 K203 S223	R114-T225 HydrophobicContact CB-CG2 3.97Å; W115-T225 HydrophobicContact CB-CG2 4.18Å; W115-T225 HydrophobicContact CE3-CG2 4.38Å; E132-T225 PolarHBondContact OE1-OG1 3.37Å; E132-T225 PolarHBondContact OE2-OG1 3.23Å; K203-T225 PolarHBondContact NZ-OG1 3.11Å; K203-T225 VanDerWaalsContact NZ-OG1 3.11Å; S223-T225 PolarHBondContact O-N 3.29Å; S223-T225 PolarHBondContact OG-N 2.88Å; S223-T225 PolarHBondContact OG-OG1 3.32Å; S223-T225 VanDerWaalsContact OG-OG1 3.08Å
226	S	89.6	Confident	90.9	Very high	26 Å²	26	54 Å²	54	18%	0.182	28%	0.276	C	S	.	.			trans	-53.8	151.1	168.6	-64	0	0	0	0	111	N204 S223	N204-S226 PolarHBondContact N-OG 3.39Å; N204-S226 WeakPolarHBondContact OD1-CB 3.31Å; S223-S226 PolarHBondContact O-N 3.4Å; S223-S226 PolarHBondContact O-OG 3.4Å
227	R	73.3	Confident	90.9	Very high	194 Å²	194	49.5 Å²	49.5	73%	0.732	26%	0.26	S	S	*	.			trans	-106.3	15.4	-169.6	-63.6	-175.3	-179.5	179	-1.1	113.7	N204	N204-R227 PolarHBondContact OD1-N 2.9Å
228	L	79	Confident	90.9	Very high	53 Å²	53	52.3 Å²	52.3	28%	0.277	28%	0.28	S	S	.	.			trans	-87.7	121.9	178.9	-68.7	174.3	0	0	0	109.1	N204 W231 A234 Y235	N204-L228 HydrophobicContact CB-CD1 3.83Å; N204-L228 HydrophobicContact CB-CG 4.21Å; L228-W231 HydrophobicContact CB-CD2 4.38Å; L228-W231 HydrophobicContact CB-CE3 4.44Å; L228-W231 HydrophobicContact CD1-CD2 4.33Å; L228-W231 HydrophobicContact CD1-CE3 3.59Å; L228-W231 HydrophobicContact CD1-CH2 4.09Å; L228-W231 HydrophobicContact CD1-CZ3 3.44Å; L228-W231 VanDerWaalsContact CD1-CZ3 3.44Å; L228-A234 HydrophobicContact CD1-CB 4.12Å; L228-A234 HydrophobicContact CD2-CB 4.05Å; L228-Y235 HydrophobicContact CD1-CE2 3.85Å
229	D	77.1	Confident	90.9	Very high	171 Å²	171	60 Å²	60	91%	0.914	32%	0.315	S	S	*	.	S	Bend	trans	-74.9	-38.3	178.5	-63.7	-37.2	0	0	0	111.3
230	D	87.5	Confident	90.9	Very high	70 Å²	70	60 Å²	60	37%	0.374	31%	0.313	S	S	.	.			trans	-138	115.9	175.6	176.6	20.8	0	0	0	111.8	H232 T233 A234	D230-H232 VanDerWaalsContact C-N 3.34Å; D230-H232 WeakPolarHBondContact OD1-CB 3.38Å; D230-H232 IonicContact OD1-CD2 2.82Å; D230-H232 PolarHBondContact OD1-N 3.12Å; D230-T233 VanDerWaalsContact OD2-CB 3.26Å; D230-T233 WeakPolarHBondContact OD2-CB 3.35Å; D230-T233 PolarHBondContact OD2-N 3.36Å; D230-T233 VanDerWaalsContact OD2-N 3.15Å; D230-T233 PolarHBondContact OD2-OG1 3.02Å; D230-A234 WeakPolarHBondContact O-CB 3.48Å; D230-A234 PolarHBondContact O-N 2.96Å
231	W	90.7	Very high	90.9	Very high	28 Å²	28	60.3 Å²	60.3	11%	0.106	32%	0.315	C	S	.	.	H	α-helix	trans	-70.2	-28.2	178.5	-60.1	93.7	0	0	0	113.3	S205 R209 A212 L228 Y235	S205-W231 WeakPolarHBondContact O-CZ3 3.49Å; R209-W231 HydrophobicContact CB-CB 4.3Å; A212-W231 HydrophobicContact CB-CD2 4.29Å; A212-W231 HydrophobicContact CB-CG 4.26Å; A212-W231 HydrophobicContact CB-CZ2 4.19Å; L228-W231 HydrophobicContact CB-CD2 4.38Å; L228-W231 HydrophobicContact CB-CE3 4.44Å; L228-W231 HydrophobicContact CD1-CD2 4.33Å; L228-W231 HydrophobicContact CD1-CE3 3.59Å; L228-W231 HydrophobicContact CD1-CH2 4.09Å; L228-W231 HydrophobicContact CD1-CZ3 3.44Å; L228-W231 VanDerWaalsContact CD1-CZ3 3.44Å; W231-Y235 HydrophobicContact CE3-CD2 4.31Å; W231-Y235 AromaticContact CE3-CE2 3.9Å; W231-Y235 HydrophobicContact CE3-CE2 3.9Å; W231-Y235 HydrophobicContact CZ3-CE2 4.22Å; W231-Y235 PolarHBondContact O-N 3.47Å; W231-Y235 VanDerWaalsContact O-N 3.12Å
232	H	90.9	Very high	90.9	Very high	86 Å²	86	64.3 Å²	64.3	40%	0.398	33%	0.333	S	S	.	.	H	α-helix	trans	-71.5	-42.9	-179.5	-70	-91.4	0	0	0	111.2	R209 D230 Y235	R209-H232 VanDerWaalsContact NH1-CA 3.3Å; R209-H232 PolarHBondContact NH1-O 2.7Å; R209-H232 VanDerWaalsContact NH1-O 3.13Å; D230-H232 VanDerWaalsContact C-N 3.34Å; D230-H232 WeakPolarHBondContact OD1-CB 3.38Å; D230-H232 IonicContact OD1-CD2 2.82Å; D230-H232 PolarHBondContact OD1-N 3.12Å; H232-Y235 CarbonylContact O-C 3.55Å; H232-Y235 VanDerWaalsContact O-C 3.32Å; H232-Y235 PolarHBondContact O-N 2.75Å
233	T	93	Very high	90.8	Very high	112 Å²	112	67.6 Å²	67.6	69%	0.687	35%	0.348	S	S	*	.	H	α-helix	trans	-65.8	-39.3	173.2	-62.7	0	0	0	0	112.1	D230 Y235	D230-T233 VanDerWaalsContact OD2-CB 3.26Å; D230-T233 WeakPolarHBondContact OD2-CB 3.35Å; D230-T233 PolarHBondContact OD2-N 3.36Å; D230-T233 VanDerWaalsContact OD2-N 3.15Å; D230-T233 PolarHBondContact OD2-OG1 3.02Å; T233-Y235 VanDerWaalsContact C-N 3.29Å; T233-Y235 PolarHBondContact O-N 3.45Å
234	A	91.9	Very high	90.9	Very high	41 Å²	41	67.5 Å²	67.5	34%	0.339	35%	0.348	S	S	.	.	H	α-helix	trans	-67.2	-29.9	179.6	0	0	0	0	0	113.4	L228 D230	L228-A234 HydrophobicContact CD1-CB 4.12Å; L228-A234 HydrophobicContact CD2-CB 4.05Å; D230-A234 WeakPolarHBondContact O-CB 3.48Å; D230-A234 PolarHBondContact O-N 2.96Å
235	Y	94.5	Very high	91	Very high	32 Å²	32	67.9 Å²	67.9	13%	0.125	35%	0.349	C	S	.	.	S	Bend	trans	-134.6	73.8	-176.5	-58.4	-66.5	0	0	0	110.6	N204 P206 R209 L228 W231 H232 T233 I296 F310	N204-Y235 PolarHBondContact O-OH 3.17Å; P206-Y235 HydrophobicContact CB-CD1 4.17Å; P206-Y235 HydrophobicContact CB-CE1 4.02Å; P206-Y235 HydrophobicContact CB-CE2 4.44Å; P206-Y235 HydrophobicContact CB-CG 4.46Å; P206-Y235 HydrophobicContact CG-CD1 4.29Å; P206-Y235 HydrophobicContact CG-CE1 3.69Å; R209-Y235 WeakPolarHBondContact CD-O 3.35Å; R209-Y235 VanDerWaalsContact CZ-O 3.27Å; R209-Y235 PolarHBondContact NE-O 2.87Å; R209-Y235 PolarHBondContact NH1-O 3.21Å; L228-Y235 HydrophobicContact CD1-CE2 3.85Å; W231-Y235 HydrophobicContact CE3-CD2 4.31Å; W231-Y235 AromaticContact CE3-CE2 3.9Å; W231-Y235 HydrophobicContact CE3-CE2 3.9Å; W231-Y235 HydrophobicContact CZ3-CE2 4.22Å; W231-Y235 PolarHBondContact O-N 3.47Å; W231-Y235 VanDerWaalsContact O-N 3.12Å; H232-Y235 CarbonylContact O-C 3.55Å; H232-Y235 VanDerWaalsContact O-C 3.32Å; H232-Y235 PolarHBondContact O-N 2.75Å; T233-Y235 VanDerWaalsContact C-N 3.29Å; T233-Y235 PolarHBondContact O-N 3.45Å; Y235-I296 HydrophobicContact CD1-CD1 4.34Å; Y235-I296 HydrophobicContact CG-CD1 4.17Å; Y235-F310 HydrophobicContact CE1-CE1 4.09Å
236	P	95.2	Very high	91.1	Very high	94 Å²	94	70.8 Å²	70.8	61%	0.61	36%	0.363	S	S	*	.			trans	-66.5	147.5	-173.8	27.6	-35.3	0	0	0	112.6
237	M	95.7	Very high	91.4	Very high	24 Å²	24	69.9 Å²	69.9	12%	0.118	36%	0.356	C	S	.	.			trans	-128.7	155.5	169.8	-69.4	170.3	63.8	0	0	108.9	R209 F210 L241 E242 M245 I296	R209-M237 PolarHBondContact NE-SD 3.27Å; F210-M237 HydrophobicContact CE1-CE 4.39Å; F210-M237 HydrophobicContact CE1-SD 3.98Å; F210-M237 HydrophobicContact CZ-CE 4.34Å; F210-M237 HydrophobicContact CZ-SD 3.68Å; M237-L241 HydrophobicContact CB-CD2 4.34Å; M237-L241 HydrophobicContact CE-CB 4.19Å; M237-L241 HydrophobicContact CE-CD2 3.99Å; M237-L241 HydrophobicContact CE-CG 3.63Å; M237-L241 WeakPolarHBondContact CE-O 3.43Å; M237-L241 HydrophobicContact CG-CD2 4.23Å; M237-E242 HydrophobicContact CB-CG 3.76Å; M237-E242 HydrophobicContact CE-CG 4.27Å; M237-E242 HydrophobicContact SD-CG 4.47Å; M237-M245 HydrophobicContact CE-CB 3.89Å; M237-I296 HydrophobicContact CG-CB 4.49Å; M237-I296 HydrophobicContact CG-CG1 4.37Å; M237-I296 HydrophobicContact CG-CG2 4.49Å; M237-I296 HydrophobicContact SD-CG1 4.35Å
238	S	93.7	Very high	92.6	Very high	64 Å²	64	61 Å²	61	45%	0.448	32%	0.323	S	S	.	.			trans	-73.4	153.1	168.1	60.4	0	0	0	0	110.5	E240 L241 E242	S238-E240 VanDerWaalsContact C-N 3.28Å; S238-E240 PolarHBondContact O-N 3.22Å; S238-L241 WeakPolarHBondContact O-CA 3.09Å; S238-L241 WeakPolarHBondContact O-CB 3.46Å; S238-L241 PolarHBondContact O-N 3.22Å; S238-L241 VanDerWaalsContact OG-CB 3.29Å; S238-L241 WeakPolarHBondContact OG-CB 3.32Å; S238-L241 PolarHBondContact OG-N 3.43Å; S238-E242 PolarHBondContact O-N 2.95Å
239	E	93.2	Very high	93.3	Very high	171 Å²	171	60.8 Å²	60.8	80%	0.799	32%	0.319	S	S	*	.	H	α-helix	trans	-53.6	-44.4	177.3	-174.1	179.3	-175.1	0	0	112.2	L241 E242 E243	E239-L241 VanDerWaalsContact C-N 3.29Å; E239-L241 PolarHBondContact O-N 3.33Å; E239-E242 PolarHBondContact O-N 3.07Å; E239-E243 PolarHBondContact O-N 3.22Å
240	E	93.9	Very high	94	Very high	77 Å²	77	55.1 Å²	55.1	36%	0.36	29%	0.288	S	S	.	.	H	α-helix	trans	-57.7	-41.5	174.5	-175	-173.8	-173.5	0	0	112.3	S238 E243 V244 I425 Y431	S238-E240 VanDerWaalsContact C-N 3.28Å; S238-E240 PolarHBondContact O-N 3.22Å; E240-E243 PolarHBondContact O-N 3.07Å; E240-V244 WeakPolarHBondContact O-CG2 3.34Å; E240-V244 PolarHBondContact O-N 3.38Å; E240-V244 VanDerWaalsContact O-N 3.12Å; E240-I425 HydrophobicContact CG-CD1 4.34Å; E240-I425 HydrophobicContact CG-CG1 4.24Å; E240-Y431 WeakPolarHBondContact CG-OH 3.43Å; E240-Y431 WeakPolarHBondContact OE1-CE1 3.39Å; E240-Y431 PolarHBondContact OE1-OH 3.4Å
241	L	95	Very high	94	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-74.1	-31.1	-179	-170.7	67.8	0	0	0	111.4	M237 S238 E239 V244 M245 S295 I296 P298 I425	M237-L241 HydrophobicContact CB-CD2 4.34Å; M237-L241 HydrophobicContact CE-CB 4.19Å; M237-L241 HydrophobicContact CE-CD2 3.99Å; M237-L241 HydrophobicContact CE-CG 3.63Å; M237-L241 WeakPolarHBondContact CE-O 3.43Å; M237-L241 HydrophobicContact CG-CD2 4.23Å; S238-L241 WeakPolarHBondContact O-CA 3.09Å; S238-L241 WeakPolarHBondContact O-CB 3.46Å; S238-L241 PolarHBondContact O-N 3.22Å; S238-L241 VanDerWaalsContact OG-CB 3.29Å; S238-L241 WeakPolarHBondContact OG-CB 3.32Å; S238-L241 PolarHBondContact OG-N 3.43Å; E239-L241 VanDerWaalsContact C-N 3.29Å; E239-L241 PolarHBondContact O-N 3.33Å; L241-V244 PolarHBondContact O-N 3.41Å; L241-M245 HydrophobicContact CD1-CB 4.46Å; L241-M245 HydrophobicContact CD1-CG 3.4Å; L241-M245 HydrophobicContact CG-CG 3.94Å; L241-M245 VanDerWaalsContact O-CB 3.31Å; L241-M245 WeakPolarHBondContact O-CB 3.4Å; L241-M245 PolarHBondContact O-N 2.95Å; L241-S295 WeakPolarHBondContact CD2-O 3.42Å; L241-I296 WeakPolarHBondContact CD2-O 3.31Å; L241-P298 HydrophobicContact CD1-CG 3.72Å; L241-I425 HydrophobicContact CD1-CD1 3.8Å; L241-I425 HydrophobicContact CD1-CG2 4.31Å
242	E	95.1	Very high	93.6	Very high	85 Å²	85	59.6 Å²	59.6	40%	0.397	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-37.9	171.9	-68.2	-177.8	177.4	0	0	112	R209 M237 S238 E239 V244	R209-E242 IonicContact CZ-OE1 2.74Å; R209-E242 IonicContact NH2-OE1 2.99Å; R209-E242 PolarHBondContact NH2-OE1 3.06Å; M237-E242 HydrophobicContact CB-CG 3.76Å; M237-E242 HydrophobicContact CE-CG 4.27Å; M237-E242 HydrophobicContact SD-CG 4.47Å; S238-E242 PolarHBondContact O-N 2.95Å; E239-E242 PolarHBondContact O-N 3.07Å; E242-V244 VanDerWaalsContact C-N 3.35Å
243	E	94.4	Very high	93.2	Very high	72 Å²	72	57.9 Å²	57.9	34%	0.336	31%	0.311	S	S	.	.	H	α-helix	trans	-66.7	-38.3	174.9	-164.4	179.7	-174.5	0	0	111.3	E239 E240 Q246 I415 V416	E239-E243 PolarHBondContact O-N 3.22Å; E240-E243 PolarHBondContact O-N 3.07Å; E243-Q246 PolarHBondContact O-NE2 3.22Å; E243-I415 VanDerWaalsContact CD-CD1 3.41Å; E243-I415 HydrophobicContact CG-CD1 3.69Å; E243-I415 WeakPolarHBondContact OE1-CD1 3.38Å; E243-V416 WeakPolarHBondContact O-CG2 3.26Å
244	V	96.5	Very high	92.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-82.1	-42.6	-178.1	174	0	0	0	0	113.1	E240 L241 E242 I415 V416 N417 A421 V422 I425 Y431	E240-V244 WeakPolarHBondContact O-CG2 3.34Å; E240-V244 PolarHBondContact O-N 3.38Å; E240-V244 VanDerWaalsContact O-N 3.12Å; L241-V244 PolarHBondContact O-N 3.41Å; E242-V244 VanDerWaalsContact C-N 3.35Å; V244-I415 HydrophobicContact CG2-CB 4.39Å; V244-V416 CarbonylContact O-C 3.45Å; V244-V416 WeakPolarHBondContact O-CA 3.31Å; V244-N417 WeakPolarHBondContact O-CA 3.35Å; V244-N417 PolarHBondContact O-N 2.76Å; V244-A421 HydrophobicContact CG1-CB 3.97Å; V244-A421 HydrophobicContact CG2-CB 4.07Å; V244-V422 HydrophobicContact CG1-CG2 4.1Å; V244-I425 HydrophobicContact CB-CD1 4.02Å; V244-I425 HydrophobicContact CG1-CD1 4.11Å; V244-I425 HydrophobicContact CG2-CD1 3.95Å; V244-Y431 VanDerWaalsContact CG2-OH 3.31Å; V244-Y431 WeakPolarHBondContact CG2-OH 3.3Å
245	M	96.8	Very high	91.9	Very high	12 Å²	12	57.9 Å²	57.9	6%	0.059	30%	0.303	C	S	.	.			trans	-101.6	99.1	-167.9	-61.8	-59.1	-75.5	0	0	112.8	M237 L241 S295 V422	M237-M245 HydrophobicContact CE-CB 3.89Å; L241-M245 HydrophobicContact CD1-CB 4.46Å; L241-M245 HydrophobicContact CD1-CG 3.4Å; L241-M245 HydrophobicContact CG-CG 3.94Å; L241-M245 VanDerWaalsContact O-CB 3.31Å; L241-M245 WeakPolarHBondContact O-CB 3.4Å; L241-M245 PolarHBondContact O-N 2.95Å; M245-S295 WeakPolarHBondContact CE-OG 3.22Å; M245-V422 HydrophobicContact CE-CG2 4.49Å; M245-V422 HydrophobicContact SD-CG2 3.57Å; M245-V422 VanDerWaalsContact SD-CG2 3.57Å
246	Q	96.1	Very high	91.8	Very high	66 Å²	66	57.7 Å²	57.7	31%	0.308	30%	0.302	S	S	.	.			trans	-127.4	67.1	175.6	-55.7	-175.1	32.4	0	0	109.7	E243 F248 S259 V416 N417	E243-Q246 PolarHBondContact O-NE2 3.22Å; Q246-F248 VanDerWaalsContact C-N 3.33Å; Q246-F248 PolarHBondContact O-N 3.36Å; Q246-S259 PolarHBondContact O-OG 2.82Å; Q246-V416 HydrophobicContact CB-CG1 3.88Å; Q246-V416 HydrophobicContact CG-CG1 4.12Å; Q246-N417 WeakPolarHBondContact CA-OD1 3.28Å; Q246-N417 PolarHBondContact N-OD1 3.24Å; Q246-N417 PolarHBondContact O-ND2 3.3Å; Q246-N417 PolarHBondContact O-OD1 3.16Å
247	P	96.6	Very high	91.7	Very high	8 Å²	8	53.3 Å²	53.3	5%	0.052	27%	0.274	C	S	.	.			trans	-76.7	-15	-161.4	32.9	-40.7	0	0	0	114.7	F210 S259 C260 I291 S295	F210-P247 HydrophobicContact CD1-CG 4.37Å; F210-P247 HydrophobicContact CE1-CG 4.35Å; P247-S259 CarbonylContact O-C 3.54Å; P247-S259 VanDerWaalsContact O-CA 3.27Å; P247-S259 WeakPolarHBondContact O-CA 3.44Å; P247-C260 PolarHBondContact O-N 3.36Å; P247-C260 PolarHBondContact O-SG 3.16Å; P247-I291 HydrophobicContact CB-CG2 3.48Å; P247-I291 VanDerWaalsContact CB-CG2 3.48Å; P247-I291 HydrophobicContact CG-CG2 3.96Å; P247-S295 WeakPolarHBondContact CG-OG 3.44Å
248	F	97	Very high	91.6	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.026	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-110.9	141.8	-179.9	-57.7	-69.4	0	0	0	110.4	F210 L211 Q246 C260 P262 N288 I291	F210-F248 HydrophobicContact CB-CD2 3.67Å; F210-F248 HydrophobicContact CB-CE2 4.05Å; F210-F248 HydrophobicContact CD2-CD2 4.49Å; F210-F248 HydrophobicContact CD2-CE2 4.12Å; F210-F248 HydrophobicContact CG-CD2 4.11Å; F210-F248 HydrophobicContact CG-CE2 4.2Å; L211-F248 HydrophobicContact CD1-CD2 4.39Å; L211-F248 HydrophobicContact CD1-CE2 4.38Å; L211-F248 HydrophobicContact CD2-CB 3.79Å; L211-F248 HydrophobicContact CD2-CD1 4.49Å; L211-F248 HydrophobicContact CD2-CD2 3.84Å; L211-F248 HydrophobicContact CD2-CG 3.78Å; L211-F248 HydrophobicContact CG-CD2 4.08Å; L211-F248 HydrophobicContact CG-CE2 4.39Å; L211-F248 HydrophobicContact CG-CG 4.42Å; Q246-F248 VanDerWaalsContact C-N 3.33Å; Q246-F248 PolarHBondContact O-N 3.36Å; F248-C260 WeakPolarHBondContact CA-O 3.5Å; F248-P262 HydrophobicContact CB-CG 4.44Å; F248-P262 HydrophobicContact CD1-CB 3.84Å; F248-P262 HydrophobicContact CE1-CB 4.4Å; F248-P262 HydrophobicContact CG-CB 4.33Å; F248-N288 HydrophobicContact CE1-CB 4.19Å; F248-N288 WeakPolarHBondContact CE1-OD1 3.49Å; F248-N288 HydrophobicContact CZ-CB 4.13Å; F248-I291 HydrophobicContact CE1-CB 4.38Å; F248-I291 HydrophobicContact CE1-CG2 4.06Å; F248-I291 HydrophobicContact CE2-CG2 4.3Å; F248-I291 HydrophobicContact CZ-CB 4.03Å; F248-I291 HydrophobicContact CZ-CG2 3.73Å
249	Y	95.3	Very high	91.7	Very high	49 Å²	49	53.4 Å²	53.4	19%	0.192	27%	0.27	C	S	.	.			trans	-65.4	139	162.5	-74.5	-63.8	0	0	0	109.8	Y215 D253 R256 S259 C260 R261	Y215-Y249 WeakPolarHBondContact CE2-O 3.36Å; Y215-Y249 PolarHBondContact OH-O 2.99Å; Y249-D253 HydrophobicContact CD1-CB 4.08Å; Y249-R256 HydrophobicContact CD1-CG 4.3Å; Y249-R256 HydrophobicContact CE1-CG 3.79Å; Y249-R256 PolarHBondContact OH-N 3.34Å; Y249-R256 PolarHBondContact OH-O 3.37Å; Y249-S259 WeakPolarHBondContact CE2-O 3.48Å; Y249-C260 PolarHBondContact N-O 3.31Å; Y249-R261 HydrophobicContact CD2-CG 3.92Å
250	L	91.9	Very high	91.8	Very high	52 Å²	52	45.9 Å²	45.9	27%	0.272	24%	0.237	S	C	.	.			trans	-89.4	157.9	165.2	-50.9	-176.5	0	0	0	109.7	E214 N252 D253	E214-L250 HydrophobicContact CB-CD2 4.04Å; E214-L250 HydrophobicContact CG-CD2 3.82Å; L250-N252 PolarHBondContact O-N 3.35Å; L250-D253 HydrophobicContact CB-CB 4.37Å; L250-D253 VanDerWaalsContact CB-CG 3.48Å; L250-D253 WeakPolarHBondContact CB-OD1 3.43Å; L250-D253 WeakPolarHBondContact CB-OD2 3.28Å; L250-D253 WeakPolarHBondContact CG-OD2 3.43Å; L250-D253 VanDerWaalsContact N-CG 3.31Å; L250-D253 PolarHBondContact N-OD2 3.43Å; L250-D253 WeakPolarHBondContact O-CB 3.22Å; L250-D253 PolarHBondContact O-N 2.89Å
251	P	86.7	Confident	91.8	Very high	50 Å²	50	48 Å²	48	33%	0.325	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.3	-172.9	-27.2	35.5	0	0	0	115.6	Q18 E214 Y215	Q18-P251 PolarHBondContact NE2-O 3.34Å; Q18-P251 VanDerWaalsContact NE2-O 3.11Å; E214-P251 VanDerWaalsContact O-CG 3.28Å; E214-P251 WeakPolarHBondContact O-CG 3.46Å; Y215-P251 HydrophobicContact CD2-CG 4.47Å; Y215-P251 HydrophobicContact CE1-CG 4.34Å; Y215-P251 HydrophobicContact CE2-CG 4.03Å
252	N	82.6	Confident	91.9	Very high	142 Å²	142	47.6 Å²	47.6	76%	0.759	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	12.7	-179.2	-63.3	-36	0	0	0	113.3	L250	L250-N252 PolarHBondContact O-N 3.35Å
253	D	81.4	Confident	92	Very high	51 Å²	51	46.7 Å²	46.7	27%	0.273	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-67.6	150.4	-178.4	-89.1	-6.8	0	0	0	113	Y249 L250 R256	Y249-D253 HydrophobicContact CD1-CB 4.08Å; L250-D253 HydrophobicContact CB-CB 4.37Å; L250-D253 VanDerWaalsContact CB-CG 3.48Å; L250-D253 WeakPolarHBondContact CB-OD1 3.43Å; L250-D253 WeakPolarHBondContact CB-OD2 3.28Å; L250-D253 WeakPolarHBondContact CG-OD2 3.43Å; L250-D253 VanDerWaalsContact N-CG 3.31Å; L250-D253 PolarHBondContact N-OD2 3.43Å; L250-D253 WeakPolarHBondContact O-CB 3.22Å; L250-D253 PolarHBondContact O-N 2.89Å; D253-R256 VanDerWaalsContact CG-NH2 3.28Å; D253-R256 IonicContact OD1-NH2 2.91Å; D253-R256 PolarHBondContact OD1-NH2 3.2Å; D253-R256 IonicContact OD2-CZ 3.41Å; D253-R256 VanDerWaalsContact OD2-CZ 3.26Å; D253-R256 IonicContact OD2-NE 3.13Å; D253-R256 PolarHBondContact OD2-NE 2.7Å; D253-R256 IonicContact OD2-NH2 3.76Å; D253-R256 PolarHBondContact OD2-NH2 2.93Å
254	Y	76.7	Confident	92	Very high	110 Å²	110	43.8 Å²	43.8	43%	0.431	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-78.7	150.7	159.3	-55	-69.6	0	0	0	110	L10 R11 R256	L10-Y254 HydrophobicContact CB-CD1 4.02Å; L10-Y254 HydrophobicContact CB-CG 4.41Å; L10-Y254 WeakPolarHBondContact O-CD1 3.43Å; L10-Y254 WeakPolarHBondContact O-CE1 3.18Å; R11-Y254 WeakPolarHBondContact CD-OH 3.46Å; R11-Y254 HydrophobicContact CG-CE1 3.86Å; R11-Y254 WeakPolarHBondContact CG-OH 3.32Å; R11-Y254 PolarHBondContact NE-OH 2.91Å; R11-Y254 PolarHBondContact NH2-OH 3.33Å; Y254-R256 PolarHBondContact O-N 3.04Å
255	G	82.5	Confident	92.1	Very high	42 Å²	42	44.2 Å²	44.2	43%	0.433	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-53.4	124.3	174.6	0	0	0	0	0	111	A537	G255-A537 VanDerWaalsContact C-CB 3.43Å
256	R	91.2	Very high	92	Very high	28 Å²	28	47.1 Å²	47.1	11%	0.106	24%	0.241	C	C	.	.			trans	-132.8	140.4	176.4	50.6	168.9	142.9	-153.5	6.3	109.6	Y249 D253 Y254 S259 A540	Y249-R256 HydrophobicContact CD1-CG 4.3Å; Y249-R256 HydrophobicContact CE1-CG 3.79Å; Y249-R256 PolarHBondContact OH-N 3.34Å; Y249-R256 PolarHBondContact OH-O 3.37Å; D253-R256 VanDerWaalsContact CG-NH2 3.28Å; D253-R256 IonicContact OD1-NH2 2.91Å; D253-R256 PolarHBondContact OD1-NH2 3.2Å; D253-R256 IonicContact OD2-CZ 3.41Å; D253-R256 VanDerWaalsContact OD2-CZ 3.26Å; D253-R256 IonicContact OD2-NE 3.13Å; D253-R256 PolarHBondContact OD2-NE 2.7Å; D253-R256 IonicContact OD2-NH2 3.76Å; D253-R256 PolarHBondContact OD2-NH2 2.93Å; Y254-R256 PolarHBondContact O-N 3.04Å; R256-S259 VanDerWaalsContact CD-OG 3.29Å; R256-S259 WeakPolarHBondContact CD-OG 3.24Å; R256-S259 VanDerWaalsContact CG-OG 3.29Å; R256-S259 WeakPolarHBondContact CG-OG 3.44Å; R256-S259 PolarHBondContact O-N 3.15Å; R256-A540 HydrophobicContact CB-CB 4.15Å
257	A	93.4	Very high	91.9	Very high	2 Å²	2	47.9 Å²	47.9	2%	0.017	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	142.9	-174.6	0	0	0	0	0	111.7	S259 N417 Q538 F539 F772	A257-S259 PolarHBondContact O-N 2.91Å; A257-N417 WeakPolarHBondContact O-CB 3.38Å; A257-N417 PolarHBondContact O-ND2 3.04Å; A257-Q538 VanDerWaalsContact CB-C 3.49Å; A257-Q538 PolarHBondContact N-O 3.04Å; A257-F539 HydrophobicContact CB-CB 4.42Å; A257-F539 HydrophobicContact CB-CD1 3.57Å; A257-F539 HydrophobicContact CB-CD2 4.15Å; A257-F539 HydrophobicContact CB-CE1 3.71Å; A257-F539 HydrophobicContact CB-CE2 4.27Å; A257-F539 HydrophobicContact CB-CG 3.8Å; A257-F539 HydrophobicContact CB-CZ 4.06Å; A257-F772 HydrophobicContact CB-CE1 3.52Å; A257-F772 HydrophobicContact CB-CZ 3.49Å; A257-F772 VanDerWaalsContact CB-CZ 3.49Å
258	L	94.2	Very high	91.7	Very high	78 Å²	78	52 Å²	52	41%	0.408	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	21.9	174.5	-52.2	-175.4	0	0	0	115.3	N417 P419 F539 F772 V781	L258-N417 HydrophobicContact CB-CB 4.1Å; L258-P419 HydrophobicContact CD1-CG 4.39Å; L258-F539 HydrophobicContact CD1-CE1 3.81Å; L258-F539 HydrophobicContact CD1-CZ 3.94Å; L258-F539 HydrophobicContact CG-CE1 4.04Å; L258-F539 HydrophobicContact CG-CZ 4.22Å; L258-F772 HydrophobicContact CD2-CE2 4.45Å; L258-V781 HydrophobicContact CD1-CG2 4.47Å
259	S	95.3	Very high	91.7	Very high	12 Å²	12	52.1 Å²	52.1	8%	0.084	27%	0.273	C	S	.	.			trans	-91.1	149.1	161.3	-66.8	0	0	0	0	110.7	Q246 P247 Y249 R256 A257 N417	Q246-S259 PolarHBondContact O-OG 2.82Å; P247-S259 CarbonylContact O-C 3.54Å; P247-S259 VanDerWaalsContact O-CA 3.27Å; P247-S259 WeakPolarHBondContact O-CA 3.44Å; Y249-S259 WeakPolarHBondContact CE2-O 3.48Å; R256-S259 VanDerWaalsContact CD-OG 3.29Å; R256-S259 WeakPolarHBondContact CD-OG 3.24Å; R256-S259 VanDerWaalsContact CG-OG 3.29Å; R256-S259 WeakPolarHBondContact CG-OG 3.44Å; R256-S259 PolarHBondContact O-N 3.15Å; A257-S259 PolarHBondContact O-N 2.91Å; S259-N417 PolarHBondContact OG-ND2 2.94Å
260	C	94.6	Very high	91.8	Very high	14 Å²	14	51.3 Å²	51.3	10%	0.095	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-119.7	151.9	176.4	57	0	0	0	0	110.8	P247 F248 Y249 R287 I291	P247-C260 PolarHBondContact O-N 3.36Å; P247-C260 PolarHBondContact O-SG 3.16Å; F248-C260 WeakPolarHBondContact CA-O 3.5Å; Y249-C260 PolarHBondContact N-O 3.31Å; C260-R287 PolarHBondContact SG-NH1 3.26Å; C260-I291 VanDerWaalsContact SG-CD1 3.57Å
261	R	95.6	Very high	91.9	Very high	121 Å²	121	55.7 Å²	55.7	46%	0.457	29%	0.291	S	S	.	.			trans	-73.7	127.1	172.3	-70.3	-161.8	-63.5	152.1	-1.3	109.3	Y249 D263 A264 E266 R287	Y249-R261 HydrophobicContact CD2-CG 3.92Å; R261-D263 VanDerWaalsContact C-N 3.27Å; R261-D263 PolarHBondContact O-N 3.39Å; R261-A264 HydrophobicContact CB-CB 4.44Å; R261-A264 VanDerWaalsContact CZ-CB 3.48Å; R261-A264 VanDerWaalsContact NH2-CB 3.26Å; R261-A264 VanDerWaalsContact O-O 3.1Å; R261-E266 PolarHBondContact N-OE1 2.91Å; R261-R287 PolarHBondContact O-NH1 3.41Å; R261-R287 VanDerWaalsContact O-NH1 3.07Å; R261-R287 PolarHBondContact O-NH2 2.99Å
262	P	97	Very high	92.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.9	-177.9	29.6	-35.1	0	0	0	113.5	L211 Y215 V220 F248 N288	L211-P262 HydrophobicContact CD1-CB 3.63Å; L211-P262 HydrophobicContact CD1-CG 4.44Å; L211-P262 HydrophobicContact CD2-CB 3.73Å; L211-P262 HydrophobicContact CD2-CG 3.69Å; L211-P262 HydrophobicContact CG-CB 4.36Å; Y215-P262 HydrophobicContact CD1-CG 3.98Å; Y215-P262 HydrophobicContact CD2-CG 3.88Å; Y215-P262 HydrophobicContact CE1-CG 3.63Å; Y215-P262 HydrophobicContact CE2-CG 3.5Å; Y215-P262 HydrophobicContact CG-CG 4.12Å; V220-P262 HydrophobicContact CB-CB 4.47Å; V220-P262 HydrophobicContact CG1-CB 3.93Å; V220-P262 HydrophobicContact CG1-CG 4.13Å; F248-P262 HydrophobicContact CB-CG 4.44Å; F248-P262 HydrophobicContact CD1-CB 3.84Å; F248-P262 HydrophobicContact CE1-CB 4.4Å; F248-P262 HydrophobicContact CG-CB 4.33Å; P262-N288 PolarHBondContact O-ND2 2.94Å
263	D	95.3	Very high	93	Very high	65 Å²	65	50.2 Å²	50.2	35%	0.348	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	3.6	-173.2	67.2	-37.7	0	0	0	113.9	Y215 V220 R261	Y215-D263 HydrophobicContact CE1-CB 4.39Å; V220-D263 HydrophobicContact CG1-CB 4.07Å; R261-D263 VanDerWaalsContact C-N 3.27Å; R261-D263 PolarHBondContact O-N 3.39Å
264	A	95.9	Very high	93.7	Very high	12 Å²	12	51.3 Å²	51.3	10%	0.099	27%	0.267	C	S	.	.	S	Bend	trans	-150.3	143.6	179.7	0	0	0	0	0	111.9	R261 R287	R261-A264 HydrophobicContact CB-CB 4.44Å; R261-A264 VanDerWaalsContact CZ-CB 3.48Å; R261-A264 VanDerWaalsContact NH2-CB 3.26Å; R261-A264 VanDerWaalsContact O-O 3.1Å; A264-R287 PolarHBondContact O-NH2 2.68Å; A264-R287 VanDerWaalsContact O-NH2 3.13Å
265	M	97.6	Very high	94.5	Very high	9 Å²	9	49 Å²	49	4%	0.044	26%	0.26	C	S	.	.			trans	-73.6	140.6	171.5	-70.2	174.6	70.2	0	0	111	E269 L270 F273 Q280 Y283 L284	M265-E269 WeakPolarHBondContact CA-OE2 3.23Å; M265-E269 HydrophobicContact CB-CB 4.16Å; M265-E269 VanDerWaalsContact CE-C 3.49Å; M265-E269 HydrophobicContact CE-CB 3.75Å; M265-E269 VanDerWaalsContact CE-O 3.31Å; M265-E269 WeakPolarHBondContact CE-O 3.27Å; M265-L270 HydrophobicContact CB-CD2 3.88Å; M265-L270 HydrophobicContact CB-CG 3.82Å; M265-L270 HydrophobicContact CE-CD2 4.05Å; M265-L270 HydrophobicContact CE-CG 4.46Å; M265-L270 HydrophobicContact CG-CD2 4.5Å; M265-L270 HydrophobicContact SD-CD2 3.89Å; M265-F273 HydrophobicContact CE-CB 4.11Å; M265-Q280 HydrophobicContact CG-CB 4.16Å; M265-Q280 HydrophobicContact CG-CG 4.05Å; M265-Q280 HydrophobicContact SD-CB 3.99Å; M265-Q280 HydrophobicContact SD-CG 3.68Å; M265-Y283 HydrophobicContact CE-CD1 3.75Å; M265-Y283 HydrophobicContact CE-CD2 4.05Å; M265-Y283 HydrophobicContact CE-CE1 3.97Å; M265-Y283 HydrophobicContact CE-CE2 4.26Å; M265-Y283 HydrophobicContact CE-CG 3.79Å; M265-Y283 HydrophobicContact CG-CD1 3.46Å; M265-Y283 VanDerWaalsContact CG-CD1 3.46Å; M265-Y283 HydrophobicContact CG-CE1 3.88Å; M265-Y283 HydrophobicContact CG-CG 4.23Å; M265-Y283 HydrophobicContact SD-CD1 3.71Å; M265-Y283 HydrophobicContact SD-CE1 4.39Å; M265-Y283 HydrophobicContact SD-CG 3.85Å; M265-L284 HydrophobicContact CG-CD2 4.01Å
266	E	94.8	Very high	95	Very high	73 Å²	73	47.5 Å²	47.5	34%	0.341	24%	0.241	S	C	.	.			trans	-72.1	161.3	170.8	-58.4	-60.9	160.8	0	0	110.7	R261 Q268 E269 L270	R261-E266 PolarHBondContact N-OE1 2.91Å; E266-Q268 VanDerWaalsContact C-N 3.32Å; E266-Q268 PolarHBondContact O-N 2.96Å; E266-E269 HydrophobicContact CB-CG 4.1Å; E266-E269 PolarHBondContact N-OE2 3.33Å; E266-E269 WeakPolarHBondContact O-CB 3.39Å; E266-E269 PolarHBondContact O-N 3.47Å; E266-L270 PolarHBondContact O-N 3.3Å
267	S	93.9	Very high	95.1	Very high	82 Å²	82	53.2 Å²	53.2	57%	0.573	26%	0.263	S	S	*	.	H	α-helix	trans	-57	-43.4	-176.9	52.4	0	0	0	0	113	E269 L270 E271	S267-E269 VanDerWaalsContact C-N 3.29Å; S267-E269 PolarHBondContact O-N 3.46Å; S267-L270 PolarHBondContact O-N 3.19Å; S267-E271 WeakPolarHBondContact O-CG 3.38Å; S267-E271 PolarHBondContact O-N 2.95Å; S267-E271 VanDerWaalsContact O-N 3.11Å
268	Q	92.1	Very high	95	Very high	95 Å²	95	58 Å²	58	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-68.4	-27	178.2	-62.9	-173.9	1.4	0	0	113	E266 E272 Y331	E266-Q268 VanDerWaalsContact C-N 3.32Å; E266-Q268 PolarHBondContact O-N 2.96Å; Q268-E272 PolarHBondContact O-N 3.3Å; Q268-Y331 PolarHBondContact O-OH 3.36Å
269	E	97.4	Very high	94.9	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.033	29%	0.292	C	S	.	.	H	α-helix	trans	-73.2	-38.1	174.5	-59.5	177.9	147.7	0	0	109.9	M265 E266 S267 E271 E272 F273 Y283 R287 Y331	M265-E269 WeakPolarHBondContact CA-OE2 3.23Å; M265-E269 HydrophobicContact CB-CB 4.16Å; M265-E269 VanDerWaalsContact CE-C 3.49Å; M265-E269 HydrophobicContact CE-CB 3.75Å; M265-E269 VanDerWaalsContact CE-O 3.31Å; M265-E269 WeakPolarHBondContact CE-O 3.27Å; E266-E269 HydrophobicContact CB-CG 4.1Å; E266-E269 PolarHBondContact N-OE2 3.33Å; E266-E269 WeakPolarHBondContact O-CB 3.39Å; E266-E269 PolarHBondContact O-N 3.47Å; S267-E269 VanDerWaalsContact C-N 3.29Å; S267-E269 PolarHBondContact O-N 3.46Å; E269-E271 VanDerWaalsContact C-N 3.28Å; E269-E271 PolarHBondContact O-N 3.45Å; E269-E272 PolarHBondContact O-N 2.86Å; E269-F273 WeakPolarHBondContact O-CD2 3.36Å; E269-F273 PolarHBondContact O-N 3.15Å; E269-Y283 HydrophobicContact CB-CE1 4.06Å; E269-Y283 VanDerWaalsContact CD-OH 3.31Å; E269-Y283 HydrophobicContact CG-CE1 4.16Å; E269-Y283 VanDerWaalsContact CG-OH 3.28Å; E269-Y283 WeakPolarHBondContact CG-OH 3.42Å; E269-Y283 PolarHBondContact OE1-OH 2.95Å; E269-R287 IonicContact OE1-NE 3.34Å; E269-Y331 HydrophobicContact CG-CE1 4.16Å; E269-Y331 PolarHBondContact N-OH 3.46Å
270	L	97	Very high	94.9	Very high	32 Å²	32	58.9 Å²	58.9	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-70.9	-20.7	176.3	-70.6	172.1	0	0	0	114.1	M265 E266 S267 R277	M265-L270 HydrophobicContact CB-CD2 3.88Å; M265-L270 HydrophobicContact CB-CG 3.82Å; M265-L270 HydrophobicContact CE-CD2 4.05Å; M265-L270 HydrophobicContact CE-CG 4.46Å; M265-L270 HydrophobicContact CG-CD2 4.5Å; M265-L270 HydrophobicContact SD-CD2 3.89Å; E266-L270 PolarHBondContact O-N 3.3Å; S267-L270 PolarHBondContact O-N 3.19Å; L270-R277 HydrophobicContact CD2-CB 4.09Å; L270-R277 HydrophobicContact CD2-CG 4.23Å; L270-R277 PolarHBondContact O-NH2 3.16Å
271	E	95.2	Very high	94.8	Very high	145 Å²	145	59 Å²	59	68%	0.678	30%	0.301	S	S	*	.	H	α-helix	trans	-79.8	-42.9	172	-74.4	171.9	-172.2	0	0	111.3	S267 E269	S267-E271 WeakPolarHBondContact O-CG 3.38Å; S267-E271 PolarHBondContact O-N 2.95Å; S267-E271 VanDerWaalsContact O-N 3.11Å; E269-E271 VanDerWaalsContact C-N 3.28Å; E269-E271 PolarHBondContact O-N 3.45Å
272	E	95.5	Very high	94.8	Very high	75 Å²	75	53.3 Å²	53.3	35%	0.35	28%	0.279	S	S	.	.	H	α-helix	trans	-72.6	-39.1	178.7	-175.8	75.1	-152.9	0	0	112.5	Q268 E269 P274 Y331 Y788	Q268-E272 PolarHBondContact O-N 3.3Å; E269-E272 PolarHBondContact O-N 2.86Å; E272-P274 VanDerWaalsContact O-CD 3.28Å; E272-P274 WeakPolarHBondContact O-CD 3.4Å; E272-Y331 HydrophobicContact CB-CD2 4.14Å; E272-Y331 HydrophobicContact CB-CE2 3.66Å; E272-Y331 HydrophobicContact CG-CD2 3.48Å; E272-Y331 VanDerWaalsContact CG-CD2 3.48Å; E272-Y331 HydrophobicContact CG-CE2 3.56Å; E272-Y331 HydrophobicContact CG-CG 4.24Å; E272-Y788 PolarHBondContact OE2-OH 3.46Å
273	F	96.6	Very high	94.8	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.009	28%	0.279	C	S	.	.			trans	-122.4	63.3	-176.4	-52	-86.6	0	0	0	111.6	M265 E269 E275 Y276 Y283 R327 I328 Y331	M265-F273 HydrophobicContact CE-CB 4.11Å; E269-F273 WeakPolarHBondContact O-CD2 3.36Å; E269-F273 PolarHBondContact O-N 3.15Å; F273-E275 VanDerWaalsContact C-OE2 3.25Å; F273-E275 WeakPolarHBondContact CA-OE2 3.43Å; F273-E275 PolarHBondContact O-N 3.38Å; F273-E275 VanDerWaalsContact O-N 3.12Å; F273-Y276 HydrophobicContact CB-CD2 3.68Å; F273-Y276 HydrophobicContact CB-CE2 4.21Å; F273-Y276 HydrophobicContact CD1-CE2 4.32Å; F273-Y276 HydrophobicContact CG-CD2 4.4Å; F273-Y276 PolarHBondContact O-N 3.48Å; F273-Y276 VanDerWaalsContact O-N 3.13Å; F273-Y283 HydrophobicContact CB-CD2 4.38Å; F273-Y283 HydrophobicContact CB-CE2 4.49Å; F273-Y283 HydrophobicContact CD1-CE2 4.46Å; F273-Y283 AromaticContact CD2-CD2 4Å; F273-Y283 HydrophobicContact CD2-CD2 4Å; F273-Y283 AromaticContact CD2-CE2 3.31Å; F273-Y283 HydrophobicContact CD2-CE2 3.31Å; F273-Y283 HydrophobicContact CE2-CD2 4.46Å; F273-Y283 AromaticContact CE2-CE2 3.5Å; F273-Y283 HydrophobicContact CE2-CE2 3.5Å; F273-Y283 VanDerWaalsContact CE2-CE2 3.5Å; F273-Y283 HydrophobicContact CG-CD2 4.08Å; F273-Y283 AromaticContact CG-CE2 3.85Å; F273-Y283 HydrophobicContact CG-CE2 3.85Å; F273-Y283 HydrophobicContact CZ-CE2 4.16Å; F273-R327 HydrophobicContact CE1-CB 4.15Å; F273-I328 HydrophobicContact CE1-CG1 4.13Å; F273-I328 HydrophobicContact CZ-CG1 4.12Å; F273-Y331 AromaticContact CE2-CD1 3.72Å; F273-Y331 HydrophobicContact CE2-CD1 3.72Å; F273-Y331 HydrophobicContact CE2-CD2 4.08Å; F273-Y331 HydrophobicContact CE2-CE1 4.1Å; F273-Y331 HydrophobicContact CE2-CE2 4.39Å; F273-Y331 AromaticContact CE2-CG 3.69Å; F273-Y331 HydrophobicContact CE2-CG 3.69Å; F273-Y331 HydrophobicContact CZ-CD1 4.27Å; F273-Y331 HydrophobicContact CZ-CD2 4.44Å; F273-Y331 AromaticContact CZ-CG 3.92Å; F273-Y331 HydrophobicContact CZ-CG 3.92Å
274	P	95.8	Very high	95	Very high	74 Å²	74	50.5 Å²	50.5	48%	0.481	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-60.1	-24.5	-176.5	26.3	-35.7	0	0	0	113.3	E272 Y276 R277	E272-P274 VanDerWaalsContact O-CD 3.28Å; E272-P274 WeakPolarHBondContact O-CD 3.4Å; P274-Y276 PolarHBondContact O-N 3.05Å; P274-R277 VanDerWaalsContact O-CB 3.27Å; P274-R277 WeakPolarHBondContact O-CB 3.29Å; P274-R277 PolarHBondContact O-N 2.94Å
275	E	93.1	Very high	95.1	Very high	62 Å²	62	50 Å²	50	29%	0.29	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-60.4	-27.3	176.6	62.5	-91.1	-143.9	0	0	113.4	H194 F273 R327	H194-E275 PolarHBondContact CE1-O 2.95Å; F273-E275 VanDerWaalsContact C-OE2 3.25Å; F273-E275 WeakPolarHBondContact CA-OE2 3.43Å; F273-E275 PolarHBondContact O-N 3.38Å; F273-E275 VanDerWaalsContact O-N 3.12Å; E275-R327 IonicContact OE1-CZ 2.95Å; E275-R327 VanDerWaalsContact OE1-CZ 3.31Å; E275-R327 IonicContact OE1-NH1 2.82Å; E275-R327 PolarHBondContact OE1-NH1 3.29Å; E275-R327 IonicContact OE1-NH2 2.76Å; E275-R327 PolarHBondContact OE1-NH2 3.36Å
276	Y	94.5	Very high	95.1	Very high	9 Å²	9	49.6 Å²	49.6	4%	0.035	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-92.4	1.5	-179.9	-59.4	-55.1	0	0	0	113.9	Y193 F273 P274 S278 D279 Q280 L282 Y283 E324	Y193-Y276 HydrophobicContact CD1-CD1 4.23Å; Y193-Y276 HydrophobicContact CD1-CE1 4.13Å; Y193-Y276 AromaticContact CE1-CD1 3.82Å; Y193-Y276 HydrophobicContact CE1-CD1 3.82Å; Y193-Y276 HydrophobicContact CE1-CE1 4.09Å; F273-Y276 HydrophobicContact CB-CD2 3.68Å; F273-Y276 HydrophobicContact CB-CE2 4.21Å; F273-Y276 HydrophobicContact CD1-CE2 4.32Å; F273-Y276 HydrophobicContact CG-CD2 4.4Å; F273-Y276 PolarHBondContact O-N 3.48Å; F273-Y276 VanDerWaalsContact O-N 3.13Å; P274-Y276 PolarHBondContact O-N 3.05Å; Y276-S278 VanDerWaalsContact C-N 3.27Å; Y276-S278 PolarHBondContact O-N 3.16Å; Y276-D279 CarbonylContact O-C 3.59Å; Y276-D279 PolarHBondContact O-N 3.32Å; Y276-Q280 WeakPolarHBondContact O-CA 3.48Å; Y276-Q280 WeakPolarHBondContact O-CG 3.21Å; Y276-Q280 PolarHBondContact O-N 3.06Å; Y276-L282 HydrophobicContact CE1-CB 4.31Å; Y276-L282 HydrophobicContact CE1-CD1 4.49Å; Y276-L282 HydrophobicContact CE1-CD2 3.85Å; Y276-L282 HydrophobicContact CE1-CG 4.43Å; Y276-Y283 AromaticContact CD2-CD2 3.96Å; Y276-Y283 HydrophobicContact CD2-CD2 3.96Å; Y276-Y283 HydrophobicContact CD2-CG 4.25Å; Y276-Y283 HydrophobicContact CE2-CD2 4.37Å; Y276-E324 WeakPolarHBondContact OH-CG 3.43Å; Y276-E324 PolarHBondContact OH-OE2 3.21Å
277	R	93.4	Very high	95.3	Very high	149 Å²	149	46.1 Å²	46.1	56%	0.562	24%	0.242	S	C	*	.	S	Bend	trans	-56	-39.1	-175.8	-179.2	177	-66.6	-123.5	-3.1	113.7	L270 P274	L270-R277 HydrophobicContact CD2-CB 4.09Å; L270-R277 HydrophobicContact CD2-CG 4.23Å; L270-R277 PolarHBondContact O-NH2 3.16Å; P274-R277 VanDerWaalsContact O-CB 3.27Å; P274-R277 WeakPolarHBondContact O-CB 3.29Å; P274-R277 PolarHBondContact O-N 2.94Å
278	S	90.3	Very high	95.5	Very high	101 Å²	101	42.2 Å²	42.2	71%	0.706	22%	0.215	S	C	*	.	S	Bend	trans	-84.3	-30.6	-177.3	56.5	0	0	0	0	113.6	Y276	Y276-S278 VanDerWaalsContact C-N 3.27Å; Y276-S278 PolarHBondContact O-N 3.16Å
279	D	91.6	Very high	95.8	Very high	63 Å²	63	37.7 Å²	37.7	34%	0.337	19%	0.193	S	C	.	.			trans	-142.2	99.8	176.6	-173.9	-7.8	0	0	0	109.9	Y193 Y276 A281	Y193-D279 HydrophobicContact CE1-CB 4.07Å; Y193-D279 WeakPolarHBondContact CE1-O 3.28Å; Y193-D279 PolarHBondContact OH-O 2.69Å; Y193-D279 PolarHBondContact OH-OD1 3.28Å; Y276-D279 CarbonylContact O-C 3.59Å; Y276-D279 PolarHBondContact O-N 3.32Å; D279-A281 WeakPolarHBondContact OD1-CB 3.48Å; D279-A281 PolarHBondContact OD1-N 3.07Å
280	Q	94.8	Very high	95.9	Very high	46 Å²	46	37.4 Å²	37.4	22%	0.215	19%	0.192	C	C	.	.			trans	-86.2	-7.5	-171.7	-59	-179.9	8	0	0	112.9	M265 Y276 L282 Y283 L284	M265-Q280 HydrophobicContact CG-CB 4.16Å; M265-Q280 HydrophobicContact CG-CG 4.05Å; M265-Q280 HydrophobicContact SD-CB 3.99Å; M265-Q280 HydrophobicContact SD-CG 3.68Å; Y276-Q280 WeakPolarHBondContact O-CA 3.48Å; Y276-Q280 WeakPolarHBondContact O-CG 3.21Å; Y276-Q280 PolarHBondContact O-N 3.06Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 3.21Å; Q280-Y283 PolarHBondContact O-N 3.28Å; Q280-Y283 VanDerWaalsContact O-N 3.11Å; Q280-L284 HydrophobicContact CB-CD1 3.71Å; Q280-L284 HydrophobicContact CB-CG 3.95Å; Q280-L284 WeakPolarHBondContact O-CB 3.37Å; Q280-L284 VanDerWaalsContact O-CG 3.27Å; Q280-L284 WeakPolarHBondContact O-CG 3.44Å; Q280-L284 PolarHBondContact O-N 3.26Å
281	A	94.2	Very high	95.9	Very high	18 Å²	18	36.5 Å²	36.5	15%	0.149	19%	0.187	C	C	.	.	H	α-helix	trans	-56.8	-42.9	-168	0	0	0	0	0	113	D279 S285	D279-A281 WeakPolarHBondContact OD1-CB 3.48Å; D279-A281 PolarHBondContact OD1-N 3.07Å; A281-S285 VanDerWaalsContact O-CB 3.28Å; A281-S285 WeakPolarHBondContact O-CB 3.39Å; A281-S285 PolarHBondContact O-N 3.02Å; A281-S285 PolarHBondContact O-OG 3.01Å
282	L	95.7	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-51.6	177.1	-172.4	153.8	0	0	0	111.7	Y193 V200 Y276 Q280 S285 I286 L320 L321 E324	Y193-L282 HydrophobicContact CD2-CB 4.28Å; Y193-L282 HydrophobicContact CD2-CD1 3.55Å; Y193-L282 HydrophobicContact CE1-CB 4.46Å; Y193-L282 HydrophobicContact CE2-CB 3.5Å; Y193-L282 VanDerWaalsContact CE2-CB 3.5Å; Y193-L282 HydrophobicContact CE2-CD1 3.62Å; Y193-L282 HydrophobicContact CE2-CG 4.21Å; Y193-L282 HydrophobicContact CG-CD1 4.27Å; Y193-L282 WeakPolarHBondContact OH-CB 3.23Å; Y193-L282 PolarHBondContact OH-N 2.82Å; V200-L282 HydrophobicContact CG2-CB 4.25Å; V200-L282 HydrophobicContact CG2-CD1 4.47Å; Y276-L282 HydrophobicContact CE1-CB 4.31Å; Y276-L282 HydrophobicContact CE1-CD1 4.49Å; Y276-L282 HydrophobicContact CE1-CD2 3.85Å; Y276-L282 HydrophobicContact CE1-CG 4.43Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 3.21Å; L282-S285 PolarHBondContact O-N 3.11Å; L282-S285 PolarHBondContact O-OG 2.81Å; L282-I286 HydrophobicContact CD2-CD1 3.92Å; L282-I286 PolarHBondContact O-N 3.26Å; L282-L320 HydrophobicContact CD1-CD2 3.48Å; L282-L320 VanDerWaalsContact CD1-CD2 3.48Å; L282-L320 HydrophobicContact CD1-CG 3.85Å; L282-L321 HydrophobicContact CD2-CD2 4.42Å; L282-L321 HydrophobicContact CG-CD2 3.96Å; L282-E324 HydrophobicContact CD2-CB 4.1Å; L282-E324 HydrophobicContact CD2-CG 4.14Å
283	Y	97.2	Very high	96.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.3	-50.8	179.2	-179.2	-89.3	0	0	0	111.6	M265 E269 F273 Y276 Q280 S285 I286 R287 I328	M265-Y283 HydrophobicContact CE-CD1 3.75Å; M265-Y283 HydrophobicContact CE-CD2 4.05Å; M265-Y283 HydrophobicContact CE-CE1 3.97Å; M265-Y283 HydrophobicContact CE-CE2 4.26Å; M265-Y283 HydrophobicContact CE-CG 3.79Å; M265-Y283 HydrophobicContact CG-CD1 3.46Å; M265-Y283 VanDerWaalsContact CG-CD1 3.46Å; M265-Y283 HydrophobicContact CG-CE1 3.88Å; M265-Y283 HydrophobicContact CG-CG 4.23Å; M265-Y283 HydrophobicContact SD-CD1 3.71Å; M265-Y283 HydrophobicContact SD-CE1 4.39Å; M265-Y283 HydrophobicContact SD-CG 3.85Å; E269-Y283 HydrophobicContact CB-CE1 4.06Å; E269-Y283 VanDerWaalsContact CD-OH 3.31Å; E269-Y283 HydrophobicContact CG-CE1 4.16Å; E269-Y283 VanDerWaalsContact CG-OH 3.28Å; E269-Y283 WeakPolarHBondContact CG-OH 3.42Å; E269-Y283 PolarHBondContact OE1-OH 2.95Å; F273-Y283 HydrophobicContact CB-CD2 4.38Å; F273-Y283 HydrophobicContact CB-CE2 4.49Å; F273-Y283 HydrophobicContact CD1-CE2 4.46Å; F273-Y283 AromaticContact CD2-CD2 4Å; F273-Y283 HydrophobicContact CD2-CD2 4Å; F273-Y283 AromaticContact CD2-CE2 3.31Å; F273-Y283 HydrophobicContact CD2-CE2 3.31Å; F273-Y283 HydrophobicContact CE2-CD2 4.46Å; F273-Y283 AromaticContact CE2-CE2 3.5Å; F273-Y283 HydrophobicContact CE2-CE2 3.5Å; F273-Y283 VanDerWaalsContact CE2-CE2 3.5Å; F273-Y283 HydrophobicContact CG-CD2 4.08Å; F273-Y283 AromaticContact CG-CE2 3.85Å; F273-Y283 HydrophobicContact CG-CE2 3.85Å; F273-Y283 HydrophobicContact CZ-CE2 4.16Å; Y276-Y283 AromaticContact CD2-CD2 3.96Å; Y276-Y283 HydrophobicContact CD2-CD2 3.96Å; Y276-Y283 HydrophobicContact CD2-CG 4.25Å; Y276-Y283 HydrophobicContact CE2-CD2 4.37Å; Q280-Y283 PolarHBondContact O-N 3.28Å; Q280-Y283 VanDerWaalsContact O-N 3.11Å; Y283-S285 VanDerWaalsContact C-N 3.29Å; Y283-S285 PolarHBondContact O-N 3.03Å; Y283-I286 PolarHBondContact O-N 2.62Å; Y283-I286 VanDerWaalsContact O-N 3.16Å; Y283-R287 HydrophobicContact CD1-CB 4.17Å; Y283-R287 HydrophobicContact CE1-CB 3.76Å; Y283-R287 HydrophobicContact CE1-CG 3.97Å; Y283-R287 WeakPolarHBondContact O-CB 3.38Å; Y283-R287 PolarHBondContact O-N 2.73Å; Y283-I328 HydrophobicContact CD2-CD1 3.59Å; Y283-I328 HydrophobicContact CD2-CG1 3.96Å; Y283-I328 HydrophobicContact CE2-CD1 3.97Å; Y283-I328 HydrophobicContact CE2-CG1 3.86Å; Y283-I328 HydrophobicContact CE2-CG2 4.22Å; Y283-I328 HydrophobicContact CG-CD1 4.38Å
284	L	97.8	Very high	96.3	Very high	6 Å²	6	27 Å²	27	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-40.3	-179.1	-64.6	175	0	0	0	111.4	M265 Q280 I286 R287 N288	M265-L284 HydrophobicContact CG-CD2 4.01Å; Q280-L284 HydrophobicContact CB-CD1 3.71Å; Q280-L284 HydrophobicContact CB-CG 3.95Å; Q280-L284 WeakPolarHBondContact O-CB 3.37Å; Q280-L284 VanDerWaalsContact O-CG 3.27Å; Q280-L284 WeakPolarHBondContact O-CG 3.44Å; Q280-L284 PolarHBondContact O-N 3.26Å; L284-I286 VanDerWaalsContact C-N 3.31Å; L284-I286 PolarHBondContact O-N 3.34Å; L284-R287 PolarHBondContact O-N 2.79Å; L284-N288 WeakPolarHBondContact O-CB 3.49Å; L284-N288 PolarHBondContact O-N 2.77Å; L284-N288 PolarHBondContact O-ND2 3.39Å
285	S	97.7	Very high	96.4	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.014	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-40.2	178	76.3	0	0	0	0	112.8	L202 A281 L282 Y283 L289	L202-S285 WeakPolarHBondContact CD1-O 3.43Å; A281-S285 VanDerWaalsContact O-CB 3.28Å; A281-S285 WeakPolarHBondContact O-CB 3.39Å; A281-S285 PolarHBondContact O-N 3.02Å; A281-S285 PolarHBondContact O-OG 3.01Å; L282-S285 PolarHBondContact O-N 3.11Å; L282-S285 PolarHBondContact O-OG 2.81Å; Y283-S285 VanDerWaalsContact C-N 3.29Å; Y283-S285 PolarHBondContact O-N 3.03Å; S285-L289 VanDerWaalsContact O-CB 3.32Å; S285-L289 WeakPolarHBondContact O-CB 3.25Å; S285-L289 PolarHBondContact O-N 3.01Å
286	I	98.5	Very high	96.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-77.5	-48.1	177.9	-61.6	172.7	0	0	0	110.4	L282 Y283 L284 N288 L289 V290 L311 L321 E324 A325 I328	L282-I286 HydrophobicContact CD2-CD1 3.92Å; L282-I286 PolarHBondContact O-N 3.26Å; Y283-I286 PolarHBondContact O-N 2.62Å; Y283-I286 VanDerWaalsContact O-N 3.16Å; L284-I286 VanDerWaalsContact C-N 3.31Å; L284-I286 PolarHBondContact O-N 3.34Å; I286-N288 PolarHBondContact O-N 3.13Å; I286-L289 WeakPolarHBondContact O-CB 3.45Å; I286-L289 PolarHBondContact O-N 2.86Å; I286-V290 HydrophobicContact CG2-CG2 4.15Å; I286-V290 VanDerWaalsContact O-CG2 3.27Å; I286-V290 WeakPolarHBondContact O-CG2 3.01Å; I286-V290 PolarHBondContact O-N 3.11Å; I286-L311 HydrophobicContact CG1-CD2 4.08Å; I286-L321 HydrophobicContact CD1-CD2 3.73Å; I286-L321 HydrophobicContact CG1-CD2 3.67Å; I286-E324 HydrophobicContact CD1-CB 3.78Å; I286-A325 HydrophobicContact CG2-CB 4.24Å; I286-I328 HydrophobicContact CB-CD1 3.82Å; I286-I328 HydrophobicContact CB-CG2 4.5Å; I286-I328 HydrophobicContact CD1-CD1 3.75Å; I286-I328 HydrophobicContact CG1-CD1 4.36Å; I286-I328 HydrophobicContact CG2-CB 3.94Å; I286-I328 HydrophobicContact CG2-CD1 3.88Å; I286-I328 HydrophobicContact CG2-CG2 3.83Å
287	R	98.6	Very high	96.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-45.4	-177.6	-178.5	-88.4	-63.1	-175.4	-6.7	111.5	C260 R261 A264 E269 Y283 L284 L289 V290 I291 I328 L332	C260-R287 PolarHBondContact SG-NH1 3.26Å; R261-R287 PolarHBondContact O-NH1 3.41Å; R261-R287 VanDerWaalsContact O-NH1 3.07Å; R261-R287 PolarHBondContact O-NH2 2.99Å; A264-R287 PolarHBondContact O-NH2 2.68Å; A264-R287 VanDerWaalsContact O-NH2 3.13Å; E269-R287 IonicContact OE1-NE 3.34Å; Y283-R287 HydrophobicContact CD1-CB 4.17Å; Y283-R287 HydrophobicContact CE1-CB 3.76Å; Y283-R287 HydrophobicContact CE1-CG 3.97Å; Y283-R287 WeakPolarHBondContact O-CB 3.38Å; Y283-R287 PolarHBondContact O-N 2.73Å; L284-R287 PolarHBondContact O-N 2.79Å; R287-L289 VanDerWaalsContact C-N 3.33Å; R287-L289 PolarHBondContact O-N 3.07Å; R287-V290 PolarHBondContact O-N 2.89Å; R287-I291 VanDerWaalsContact CD-CD1 3.41Å; R287-I291 HydrophobicContact CG-CD1 4.14Å; R287-I291 WeakPolarHBondContact O-CG1 3.48Å; R287-I291 PolarHBondContact O-N 3.3Å; R287-I328 HydrophobicContact CB-CG2 4.44Å; R287-L332 HydrophobicContact CB-CD1 4.48Å; R287-L332 HydrophobicContact CG-CD1 4.06Å; R287-L332 HydrophobicContact CG-CD2 4.13Å
288	N	98.5	Very high	96.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-41.4	177	-66.6	-17.5	0	0	0	111.2	A207 V220 F248 P262 L284 I286 A292	A207-N288 HydrophobicContact CB-CB 4.08Å; V220-N288 PolarHBondContact O-ND2 3.39Å; F248-N288 HydrophobicContact CE1-CB 4.19Å; F248-N288 WeakPolarHBondContact CE1-OD1 3.49Å; F248-N288 HydrophobicContact CZ-CB 4.13Å; P262-N288 PolarHBondContact O-ND2 2.94Å; L284-N288 WeakPolarHBondContact O-CB 3.49Å; L284-N288 PolarHBondContact O-N 2.77Å; L284-N288 PolarHBondContact O-ND2 3.39Å; I286-N288 PolarHBondContact O-N 3.13Å; N288-A292 VanDerWaalsContact O-CB 3.23Å; N288-A292 WeakPolarHBondContact O-CB 3.15Å; N288-A292 PolarHBondContact O-N 3.47Å
289	L	98.6	Very high	97.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.1	-49.1	174.8	169	66.2	0	0	0	111.8	L202 P206 S285 I286 R287 A292 L293 C307 F310 L311	L202-L289 HydrophobicContact CD1-CB 4.45Å; L202-L289 HydrophobicContact CD1-CD2 4.29Å; P206-L289 HydrophobicContact CB-CD1 4.3Å; P206-L289 VanDerWaalsContact CD-CD1 3.47Å; P206-L289 HydrophobicContact CG-CD1 3.73Å; S285-L289 VanDerWaalsContact O-CB 3.32Å; S285-L289 WeakPolarHBondContact O-CB 3.25Å; S285-L289 PolarHBondContact O-N 3.01Å; I286-L289 WeakPolarHBondContact O-CB 3.45Å; I286-L289 PolarHBondContact O-N 2.86Å; R287-L289 VanDerWaalsContact C-N 3.33Å; R287-L289 PolarHBondContact O-N 3.07Å; L289-A292 PolarHBondContact O-N 2.87Å; L289-L293 HydrophobicContact CD1-CD1 3.94Å; L289-L293 HydrophobicContact CD1-CG 4.1Å; L289-L293 HydrophobicContact CG-CD1 4.11Å; L289-L293 WeakPolarHBondContact O-CG 3.27Å; L289-L293 PolarHBondContact O-N 3.32Å; L289-C307 HydrophobicContact CD2-CB 4.38Å; L289-F310 HydrophobicContact CD1-CB 3.57Å; L289-F310 HydrophobicContact CD1-CG 4.31Å; L289-F310 HydrophobicContact CD2-CB 4.08Å; L289-F310 HydrophobicContact CG-CB 4.45Å; L289-L311 HydrophobicContact CD2-CD2 3.56Å; L289-L311 HydrophobicContact CD2-CG 3.92Å
290	V	98.7	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-47.4	-177.6	173.1	0	0	0	0	111.1	I286 R287 A292 L293 W294 V302 V329 L332 V338	I286-V290 HydrophobicContact CG2-CG2 4.15Å; I286-V290 VanDerWaalsContact O-CG2 3.27Å; I286-V290 WeakPolarHBondContact O-CG2 3.01Å; I286-V290 PolarHBondContact O-N 3.11Å; R287-V290 PolarHBondContact O-N 2.89Å; V290-A292 VanDerWaalsContact C-N 3.33Å; V290-A292 PolarHBondContact O-N 2.86Å; V290-L293 PolarHBondContact O-N 3.04Å; V290-W294 PolarHBondContact O-N 3.43Å; V290-V302 HydrophobicContact CG1-CG1 4Å; V290-V329 HydrophobicContact CG1-CG2 4.4Å; V290-V329 HydrophobicContact CG2-CG2 3.58Å; V290-L332 HydrophobicContact CB-CD1 3.8Å; V290-L332 HydrophobicContact CG1-CD1 3.57Å; V290-L332 HydrophobicContact CG2-CD1 4.37Å; V290-V338 HydrophobicContact CG1-CG1 4.14Å; V290-V338 HydrophobicContact CG1-CG2 4.08Å
291	I	98.5	Very high	97.6	Very high	14 Å²	14	18 Å²	18	7%	0.072	9%	0.088	C	C	.	.	H	α-helix	trans	-63.2	-40.5	177.9	-70.8	-178.8	0	0	0	111.1	P247 F248 C260 R287 W294 S295 V338	P247-I291 HydrophobicContact CB-CG2 3.48Å; P247-I291 VanDerWaalsContact CB-CG2 3.48Å; P247-I291 HydrophobicContact CG-CG2 3.96Å; F248-I291 HydrophobicContact CE1-CB 4.38Å; F248-I291 HydrophobicContact CE1-CG2 4.06Å; F248-I291 HydrophobicContact CE2-CG2 4.3Å; F248-I291 HydrophobicContact CZ-CB 4.03Å; F248-I291 HydrophobicContact CZ-CG2 3.73Å; C260-I291 VanDerWaalsContact SG-CD1 3.57Å; R287-I291 VanDerWaalsContact CD-CD1 3.41Å; R287-I291 HydrophobicContact CG-CD1 4.14Å; R287-I291 WeakPolarHBondContact O-CG1 3.48Å; R287-I291 PolarHBondContact O-N 3.3Å; I291-W294 PolarHBondContact O-N 3.21Å; I291-S295 VanDerWaalsContact O-CB 3.3Å; I291-S295 WeakPolarHBondContact O-CB 3.4Å; I291-S295 PolarHBondContact O-N 3.39Å; I291-S295 PolarHBondContact O-OG 2.84Å; I291-V338 HydrophobicContact CG1-CG1 4.42Å
292	A	98.3	Very high	97.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-46.2	177.5	0	0	0	0	0	111.9	P206 A207 F210 N288 L289 V290 W294 S295 I296	P206-A292 HydrophobicContact CB-CB 4.25Å; A207-A292 VanDerWaalsContact CA-CB 3.47Å; A207-A292 HydrophobicContact CB-CB 3.91Å; F210-A292 HydrophobicContact CD2-CB 4.1Å; F210-A292 HydrophobicContact CE2-CB 3.99Å; N288-A292 VanDerWaalsContact O-CB 3.23Å; N288-A292 WeakPolarHBondContact O-CB 3.15Å; N288-A292 PolarHBondContact O-N 3.47Å; L289-A292 PolarHBondContact O-N 2.87Å; V290-A292 VanDerWaalsContact C-N 3.33Å; V290-A292 PolarHBondContact O-N 2.86Å; A292-W294 VanDerWaalsContact C-N 3.32Å; A292-W294 PolarHBondContact O-N 3.28Å; A292-S295 PolarHBondContact O-N 3.31Å; A292-S295 VanDerWaalsContact O-N 3.15Å; A292-I296 WeakPolarHBondContact O-CB 3.47Å; A292-I296 WeakPolarHBondContact O-CD1 3.48Å; A292-I296 VanDerWaalsContact O-CG1 3.24Å; A292-I296 WeakPolarHBondContact O-CG1 3.4Å; A292-I296 PolarHBondContact O-N 2.95Å
293	L	98.3	Very high	97.9	Very high	18 Å²	18	18.6 Å²	18.6	9%	0.094	9%	0.09	C	C	.	.	H	α-helix	trans	-58.4	-43.8	176.5	-75.3	173	0	0	0	112	P206 L289 V290 N297 V302 K306 F310	P206-L293 HydrophobicContact CB-CD2 4.13Å; P206-L293 HydrophobicContact CB-CG 4.42Å; P206-L293 HydrophobicContact CG-CD2 3.75Å; P206-L293 HydrophobicContact CG-CG 4.24Å; L289-L293 HydrophobicContact CD1-CD1 3.94Å; L289-L293 HydrophobicContact CD1-CG 4.1Å; L289-L293 HydrophobicContact CG-CD1 4.11Å; L289-L293 WeakPolarHBondContact O-CG 3.27Å; L289-L293 PolarHBondContact O-N 3.32Å; V290-L293 PolarHBondContact O-N 3.04Å; L293-N297 PolarHBondContact O-N 3.42Å; L293-V302 HydrophobicContact CB-CG1 4.16Å; L293-V302 HydrophobicContact CB-CG2 4.03Å; L293-V302 HydrophobicContact CD1-CG1 4.26Å; L293-K306 HydrophobicContact CD1-CG 4.46Å; L293-F310 HydrophobicContact CD1-CD2 3.97Å; L293-F310 HydrophobicContact CD1-CE2 4.45Å; L293-F310 HydrophobicContact CD2-CD2 3.85Å; L293-F310 HydrophobicContact CD2-CE2 3.7Å; L293-F310 HydrophobicContact CD2-CZ 4.24Å; L293-F310 HydrophobicContact CG-CD2 4.49Å
294	W	98.4	Very high	97.9	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.015	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-43.2	175.1	174.5	-111.3	0	0	0	112.1	V290 I291 A292 I296 N297 P298 V302 V338 F340 L343 V422 Q426	V290-W294 PolarHBondContact O-N 3.43Å; I291-W294 PolarHBondContact O-N 3.21Å; A292-W294 VanDerWaalsContact C-N 3.32Å; A292-W294 PolarHBondContact O-N 3.28Å; W294-I296 VanDerWaalsContact C-N 3.34Å; W294-I296 PolarHBondContact O-N 2.68Å; W294-N297 CarbonylContact O-C 3.56Å; W294-N297 VanDerWaalsContact O-C 3.23Å; W294-N297 PolarHBondContact O-N 3.12Å; W294-P298 HydrophobicContact CD2-CB 4.27Å; W294-P298 HydrophobicContact CE3-CB 4.43Å; W294-P298 HydrophobicContact CH2-CB 4.13Å; W294-P298 WeakPolarHBondContact CH2-O 3.28Å; W294-P298 HydrophobicContact CZ2-CB 3.93Å; W294-P298 HydrophobicContact CZ3-CB 4.36Å; W294-P298 WeakPolarHBondContact CZ3-O 3.38Å; W294-P298 WeakPolarHBondContact O-CA 3.47Å; W294-P298 WeakPolarHBondContact O-CD 3.44Å; W294-V302 HydrophobicContact CB-CG2 3.92Å; W294-V302 HydrophobicContact CE3-CG2 4.3Å; W294-V338 HydrophobicContact CB-CB 3.96Å; W294-V338 HydrophobicContact CB-CG1 3.58Å; W294-V338 HydrophobicContact CD2-CB 4.02Å; W294-V338 HydrophobicContact CD2-CG1 4.43Å; W294-V338 HydrophobicContact CE3-CB 4.47Å; W294-V338 HydrophobicContact CG-CB 3.77Å; W294-V338 HydrophobicContact CG-CG1 3.67Å; W294-F340 AromaticContact CE2-CE1 3.93Å; W294-F340 WeakPolarHBondContact CH2-O 3.27Å; W294-F340 AromaticContact CZ2-CD1 3.82Å; W294-F340 HydrophobicContact CZ2-CD1 3.82Å; W294-F340 AromaticContact CZ2-CE1 3.76Å; W294-F340 HydrophobicContact CZ2-CE1 3.76Å; W294-F340 HydrophobicContact CZ2-CG 4.27Å; W294-F340 HydrophobicContact CZ2-CZ 4.15Å; W294-F340 AromaticContact NE1-CE1 3.59Å; W294-L343 HydrophobicContact CH2-CD1 3.97Å; W294-L343 HydrophobicContact CH2-CD2 4.15Å; W294-L343 HydrophobicContact CH2-CG 4.35Å; W294-L343 HydrophobicContact CZ3-CD1 3.96Å; W294-L343 HydrophobicContact CZ3-CD2 4.07Å; W294-V422 HydrophobicContact CZ2-CG1 4.23Å; W294-Q426 VanDerWaalsContact CH2-NE2 3.29Å
295	S	97.9	Very high	97.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	10%	0.104	C	C	.	.	H	α-helix	trans	-70.2	-31.7	-176.8	-57.4	0	0	0	0	113.1	L241 M245 P247 I291 A292	L241-S295 WeakPolarHBondContact CD2-O 3.42Å; M245-S295 WeakPolarHBondContact CE-OG 3.22Å; P247-S295 WeakPolarHBondContact CG-OG 3.44Å; I291-S295 VanDerWaalsContact O-CB 3.3Å; I291-S295 WeakPolarHBondContact O-CB 3.4Å; I291-S295 PolarHBondContact O-N 3.39Å; I291-S295 PolarHBondContact O-OG 2.84Å; A292-S295 PolarHBondContact O-N 3.31Å; A292-S295 VanDerWaalsContact O-N 3.15Å
296	I	97.5	Very high	97.6	Very high	27 Å²	27	24.7 Å²	24.7	14%	0.138	12%	0.118	C	C	.	.	H	α-helix	trans	-71.3	-36.6	176.1	-70.1	157.8	0	0	0	111.2	P206 F210 Y235 M237 L241 A292 W294	P206-I296 HydrophobicContact CB-CD1 3.85Å; F210-I296 HydrophobicContact CE2-CD1 4.37Å; F210-I296 HydrophobicContact CE2-CG1 4.09Å; F210-I296 HydrophobicContact CZ-CG1 4.27Å; Y235-I296 HydrophobicContact CD1-CD1 4.34Å; Y235-I296 HydrophobicContact CG-CD1 4.17Å; M237-I296 HydrophobicContact CG-CB 4.49Å; M237-I296 HydrophobicContact CG-CG1 4.37Å; M237-I296 HydrophobicContact CG-CG2 4.49Å; M237-I296 HydrophobicContact SD-CG1 4.35Å; L241-I296 WeakPolarHBondContact CD2-O 3.31Å; A292-I296 WeakPolarHBondContact O-CB 3.47Å; A292-I296 WeakPolarHBondContact O-CD1 3.48Å; A292-I296 VanDerWaalsContact O-CG1 3.24Å; A292-I296 WeakPolarHBondContact O-CG1 3.4Å; A292-I296 PolarHBondContact O-N 2.95Å; W294-I296 VanDerWaalsContact C-N 3.34Å; W294-I296 PolarHBondContact O-N 2.68Å
297	N	96.9	Very high	97.6	Very high	50 Å²	50	24.7 Å²	24.7	27%	0.267	12%	0.118	S	C	.	.			trans	-148.6	85.1	179.2	-172.4	6.8	0	0	0	112.4	L293 W294 K299 E300	L293-N297 PolarHBondContact O-N 3.42Å; W294-N297 CarbonylContact O-C 3.56Å; W294-N297 VanDerWaalsContact O-C 3.23Å; W294-N297 PolarHBondContact O-N 3.12Å; N297-K299 PolarHBondContact O-N 3.41Å; N297-K299 WeakPolarHBondContact OD1-CB 3.43Å; N297-K299 PolarHBondContact OD1-N 2.82Å; N297-E300 WeakPolarHBondContact ND2-CG 3.3Å; N297-E300 PolarHBondContact ND2-OE1 2.78Å; N297-E300 VanDerWaalsContact ND2-OE1 3.07Å; N297-E300 PolarHBondContact O-N 2.91Å
298	P	97.4	Very high	97.5	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.013	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	5	-179.2	31.7	-37.3	0	0	0	113.4	L241 W294 L343 V422 I425 Q426	L241-P298 HydrophobicContact CD1-CG 3.72Å; W294-P298 HydrophobicContact CD2-CB 4.27Å; W294-P298 HydrophobicContact CE3-CB 4.43Å; W294-P298 HydrophobicContact CH2-CB 4.13Å; W294-P298 WeakPolarHBondContact CH2-O 3.28Å; W294-P298 HydrophobicContact CZ2-CB 3.93Å; W294-P298 HydrophobicContact CZ3-CB 4.36Å; W294-P298 WeakPolarHBondContact CZ3-O 3.38Å; W294-P298 WeakPolarHBondContact O-CA 3.47Å; W294-P298 WeakPolarHBondContact O-CD 3.44Å; P298-L343 WeakPolarHBondContact O-CD2 3.38Å; P298-V422 HydrophobicContact CB-CG1 3.76Å; P298-V422 HydrophobicContact CG-CG1 4.24Å; P298-I425 HydrophobicContact CG-CG2 4.45Å; P298-Q426 VanDerWaalsContact O-CG 3.31Å; P298-Q426 WeakPolarHBondContact O-CG 3.26Å; P298-Q426 PolarHBondContact O-NE2 2.7Å
299	K	96.9	Very high	97.4	Very high	106 Å²	106	27.3 Å²	27.3	46%	0.461	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-14.1	174.9	-57.5	-177.5	174.3	179.7	0	112.8	N297 I425	N297-K299 PolarHBondContact O-N 3.41Å; N297-K299 WeakPolarHBondContact OD1-CB 3.43Å; N297-K299 PolarHBondContact OD1-N 2.82Å; K299-I425 WeakPolarHBondContact CE-O 3.35Å
300	E	96	Very high	97.3	Very high	103 Å²	103	28.3 Å²	28.3	48%	0.481	13%	0.133	S	C	.	.	S	Bend	trans	-113.4	149	-177.5	-73.7	179.3	-162	0	0	111.8	N297 V302	N297-E300 WeakPolarHBondContact ND2-CG 3.3Å; N297-E300 PolarHBondContact ND2-OE1 2.78Å; N297-E300 VanDerWaalsContact ND2-OE1 3.07Å; N297-E300 PolarHBondContact O-N 2.91Å; E300-V302 PolarHBondContact O-N 3.3Å
301	W	97.9	Very high	97.3	Very high	25 Å²	25	28.3 Å²	28.3	10%	0.095	13%	0.133	C	C	.	.			trans	-69.5	124.7	171	-74	91.8	0	0	0	110.9	T303 T333 N339 L343 P344 S345 P346 P347 F350 N377	W301-T303 HydrophobicContact CB-CG2 4.16Å; W301-T303 PolarHBondContact O-N 3.44Å; W301-T333 HydrophobicContact CZ3-CG2 4.47Å; W301-N339 HydrophobicContact CE3-CB 3.74Å; W301-N339 HydrophobicContact CZ3-CB 3.67Å; W301-L343 HydrophobicContact CD2-CD1 4Å; W301-L343 HydrophobicContact CE3-CD1 4.3Å; W301-L343 HydrophobicContact CH2-CD1 4.25Å; W301-L343 HydrophobicContact CZ2-CB 3.98Å; W301-L343 HydrophobicContact CZ2-CD1 3.97Å; W301-L343 HydrophobicContact CZ3-CD1 4.44Å; W301-P344 PolarHBondContact NE1-O 3.01Å; W301-S345 PolarHBondContact NE1-O 2.94Å; W301-P346 HydrophobicContact CH2-CB 3.84Å; W301-P346 HydrophobicContact CZ2-CB 3.64Å; W301-P347 HydrophobicContact CB-CG 4.04Å; W301-P347 HydrophobicContact CD2-CG 4.4Å; W301-P347 HydrophobicContact CG-CG 4.01Å; W301-F350 HydrophobicContact CD2-CD2 4.48Å; W301-F350 AromaticContact CE3-CD2 3.55Å; W301-F350 HydrophobicContact CE3-CD2 3.55Å; W301-F350 AromaticContact CE3-CE2 3.58Å; W301-F350 HydrophobicContact CE3-CE2 3.58Å; W301-F350 HydrophobicContact CE3-CG 4.41Å; W301-F350 HydrophobicContact CE3-CZ 4.47Å; W301-F350 HydrophobicContact CZ3-CB 4.49Å; W301-F350 AromaticContact CZ3-CD2 3.69Å; W301-F350 HydrophobicContact CZ3-CD2 3.69Å; W301-F350 HydrophobicContact CZ3-CE2 4.04Å; W301-F350 HydrophobicContact CZ3-CG 4.12Å; W301-N377 HydrophobicContact CH2-CB 3.93Å; W301-N377 HydrophobicContact CZ2-CB 4.38Å
302	V	98.2	Very high	97.2	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.03	13%	0.132	C	C	.	.			trans	-81.7	102.1	166.3	-175.4	0	0	0	0	108.6	V290 L293 W294 E300 C307 V329 N339	V290-V302 HydrophobicContact CG1-CG1 4Å; L293-V302 HydrophobicContact CB-CG1 4.16Å; L293-V302 HydrophobicContact CB-CG2 4.03Å; L293-V302 HydrophobicContact CD1-CG1 4.26Å; W294-V302 HydrophobicContact CB-CG2 3.92Å; W294-V302 HydrophobicContact CE3-CG2 4.3Å; E300-V302 PolarHBondContact O-N 3.3Å; V302-C307 VanDerWaalsContact CG1-SG 3.59Å; V302-V329 VanDerWaalsContact O-CG1 3.32Å; V302-V329 WeakPolarHBondContact O-CG1 3.49Å; V302-N339 PolarHBondContact N-OD1 2.95Å; V302-N339 PolarHBondContact O-ND2 3.27Å
303	T	97.7	Very high	97.1	Very high	27 Å²	27	28.4 Å²	28.4	17%	0.166	13%	0.134	C	C	.	.			trans	-99.1	161	179	64.8	0	0	0	0	111.5	W301 E305 K306 C307 P347 F350	W301-T303 HydrophobicContact CB-CG2 4.16Å; W301-T303 PolarHBondContact O-N 3.44Å; T303-E305 PolarHBondContact O-N 3.41Å; T303-K306 PolarHBondContact O-N 3.03Å; T303-K306 VanDerWaalsContact O-N 3.12Å; T303-K306 PolarHBondContact OG1-N 3.22Å; T303-C307 PolarHBondContact O-N 3.24Å; T303-C307 PolarHBondContact O-SG 2.94Å; T303-P347 HydrophobicContact CG2-CB 4.27Å; T303-P347 HydrophobicContact CG2-CG 3.77Å; T303-F350 HydrophobicContact CG2-CE2 4.21Å
304	P	96.9	Very high	97	Very high	11 Å²	11	29.5 Å²	29.5	7%	0.071	14%	0.137	C	C	.	.	H	α-helix	trans	-57.2	-33.7	170.1	-23.7	33.6	0	0	0	112.6	C307 R308 N326 V329 F349	P304-C307 PolarHBondContact O-N 3.4Å; P304-R308 WeakPolarHBondContact O-CB 3.32Å; P304-R308 PolarHBondContact O-N 2.93Å; P304-N326 VanDerWaalsContact CB-OD1 3.25Å; P304-N326 WeakPolarHBondContact CB-OD1 3.12Å; P304-V329 HydrophobicContact CG-CB 4.23Å; P304-V329 HydrophobicContact CG-CG1 4.23Å; P304-F349 HydrophobicContact CG-CD1 4Å; P304-F349 HydrophobicContact CG-CD2 4.18Å; P304-F349 HydrophobicContact CG-CE1 3.59Å; P304-F349 HydrophobicContact CG-CE2 3.76Å; P304-F349 HydrophobicContact CG-CG 4.29Å; P304-F349 HydrophobicContact CG-CZ 3.46Å; P304-F349 VanDerWaalsContact CG-CZ 3.46Å
305	E	94.9	Very high	96.9	Very high	55 Å²	55	29.3 Å²	29.3	26%	0.257	14%	0.136	S	C	.	.	H	α-helix	trans	-65.5	-42.1	175.4	-175.4	56.2	-144.4	0	0	112.1	R142 T303 R308	R142-E305 IonicContact CZ-OE1 2.93Å; R142-E305 IonicContact CZ-OE2 2.8Å; R142-E305 IonicContact NH1-OE1 2.83Å; R142-E305 PolarHBondContact NH1-OE1 3Å; R142-E305 IonicContact NH1-OE2 3.26Å; R142-E305 PolarHBondContact NH1-OE2 3.14Å; R142-E305 IonicContact NH2-OE1 3.28Å; R142-E305 IonicContact NH2-OE2 3.56Å; R142-E305 PolarHBondContact NH2-OE2 3.05Å; T303-E305 PolarHBondContact O-N 3.41Å; E305-R308 WeakPolarHBondContact O-CB 3.17Å; E305-R308 PolarHBondContact O-N 3.44Å; E305-R308 IonicContact OE2-CZ 2.85Å; E305-R308 IonicContact OE2-NE 2.74Å; E305-R308 IonicContact OE2-NH1 3.86Å
306	K	96.1	Very high	96.8	Very high	69 Å²	69	29.4 Å²	29.4	30%	0.3	14%	0.136	S	C	.	.	H	α-helix	trans	-63.2	-44.5	173.6	-174.4	64.1	170.6	-175.7	0	110.8	L293 T303 R308 Q309 F310	L293-K306 HydrophobicContact CD1-CG 4.46Å; T303-K306 PolarHBondContact O-N 3.03Å; T303-K306 VanDerWaalsContact O-N 3.12Å; T303-K306 PolarHBondContact OG1-N 3.22Å; K306-R308 VanDerWaalsContact C-N 3.32Å; K306-R308 PolarHBondContact O-N 3.5Å; K306-Q309 WeakPolarHBondContact O-CB 3.3Å; K306-Q309 PolarHBondContact O-N 2.83Å; K306-F310 HydrophobicContact CD-CE2 4.27Å; K306-F310 WeakPolarHBondContact O-CD2 3.31Å
307	C	98	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-40.3	178.1	-62.6	0	0	0	0	112.1	L289 V302 T303 P304 Q309 F310 L311	L289-C307 HydrophobicContact CD2-CB 4.38Å; V302-C307 VanDerWaalsContact CG1-SG 3.59Å; T303-C307 PolarHBondContact O-N 3.24Å; T303-C307 PolarHBondContact O-SG 2.94Å; P304-C307 PolarHBondContact O-N 3.4Å; C307-Q309 PolarHBondContact O-N 2.79Å; C307-Q309 VanDerWaalsContact O-N 3.11Å; C307-F310 PolarHBondContact O-N 3.44Å; C307-L311 WeakPolarHBondContact O-CG 3.46Å; C307-L311 PolarHBondContact O-N 2.9Å; C307-L311 VanDerWaalsContact O-N 3.07Å
308	R	96.9	Very high	96.8	Very high	38 Å²	38	26.5 Å²	26.5	14%	0.143	12%	0.121	C	C	.	.	H	α-helix	trans	-52	-34.8	179.3	-178	-173.7	-69.9	-157.4	-10.5	113.3	Q140 I158 P304 E305 K306 F310 R318 V322	Q140-R308 VanDerWaalsContact OE1-CZ 3.24Å; Q140-R308 VanDerWaalsContact OE1-NH2 3.15Å; I158-R308 HydrophobicContact CG2-CG 3.86Å; P304-R308 WeakPolarHBondContact O-CB 3.32Å; P304-R308 PolarHBondContact O-N 2.93Å; E305-R308 WeakPolarHBondContact O-CB 3.17Å; E305-R308 PolarHBondContact O-N 3.44Å; E305-R308 IonicContact OE2-CZ 2.85Å; E305-R308 IonicContact OE2-NE 2.74Å; E305-R308 IonicContact OE2-NH1 3.86Å; K306-R308 VanDerWaalsContact C-N 3.32Å; K306-R308 PolarHBondContact O-N 3.5Å; R308-F310 PolarHBondContact O-N 2.92Å; R308-R318 PolarHBondContact O-NH2 3.34Å; R308-R318 VanDerWaalsContact O-NH2 3.1Å; R308-V322 HydrophobicContact CG-CG1 4.22Å; R308-V322 HydrophobicContact CG-CG2 4.05Å
309	Q	96.1	Very high	96.8	Very high	18 Å²	18	26.6 Å²	26.6	8%	0.084	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.2	177.8	-60.6	172.2	15.9	0	0	112.6	P155 I158 K306 C307	P155-Q309 WeakPolarHBondContact CA-O 3.1Å; P155-Q309 HydrophobicContact CB-CB 4.18Å; I158-Q309 WeakPolarHBondContact CD1-O 3.35Å; K306-Q309 WeakPolarHBondContact O-CB 3.3Å; K306-Q309 PolarHBondContact O-N 2.83Å; C307-Q309 PolarHBondContact O-N 2.79Å; C307-Q309 VanDerWaalsContact O-N 3.11Å
310	F	96.9	Very high	96.8	Very high	22 Å²	22	22.1 Å²	22.1	10%	0.096	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-4.6	-176.3	-58.7	-77.9	0	0	0	113.7	P155 P206 Y235 L289 L293 K306 C307 R308 I312	P155-F310 HydrophobicContact CG-CD1 4.46Å; P155-F310 HydrophobicContact CG-CE1 4.33Å; P206-F310 HydrophobicContact CG-CB 4.21Å; P206-F310 HydrophobicContact CG-CD1 3.56Å; P206-F310 HydrophobicContact CG-CD2 4.39Å; P206-F310 HydrophobicContact CG-CE1 3.99Å; P206-F310 HydrophobicContact CG-CG 3.79Å; Y235-F310 HydrophobicContact CE1-CE1 4.09Å; L289-F310 HydrophobicContact CD1-CB 3.57Å; L289-F310 HydrophobicContact CD1-CG 4.31Å; L289-F310 HydrophobicContact CD2-CB 4.08Å; L289-F310 HydrophobicContact CG-CB 4.45Å; L293-F310 HydrophobicContact CD1-CD2 3.97Å; L293-F310 HydrophobicContact CD1-CE2 4.45Å; L293-F310 HydrophobicContact CD2-CD2 3.85Å; L293-F310 HydrophobicContact CD2-CE2 3.7Å; L293-F310 HydrophobicContact CD2-CZ 4.24Å; L293-F310 HydrophobicContact CG-CD2 4.49Å; K306-F310 HydrophobicContact CD-CE2 4.27Å; K306-F310 WeakPolarHBondContact O-CD2 3.31Å; C307-F310 PolarHBondContact O-N 3.44Å; R308-F310 PolarHBondContact O-N 2.92Å; F310-I312 PolarHBondContact O-N 3.22Å
311	L	97.8	Very high	96.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.08	C	C	.	.			trans	-76.3	67.1	170.1	-67	172.4	0	0	0	110.3	L202 I286 L289 C307 R318 L321 V322 A325	L202-L311 HydrophobicContact CD1-CD2 3.88Å; L202-L311 HydrophobicContact CD2-CD2 4.07Å; I286-L311 HydrophobicContact CG1-CD2 4.08Å; L289-L311 HydrophobicContact CD2-CD2 3.56Å; L289-L311 HydrophobicContact CD2-CG 3.92Å; C307-L311 WeakPolarHBondContact O-CG 3.46Å; C307-L311 PolarHBondContact O-N 2.9Å; C307-L311 VanDerWaalsContact O-N 3.07Å; L311-R318 WeakPolarHBondContact O-CD 3.2Å; L311-R318 PolarHBondContact O-NE 3.5Å; L311-L321 HydrophobicContact CD1-CB 4.39Å; L311-L321 HydrophobicContact CD2-CB 4.39Å; L311-L321 HydrophobicContact CD2-CD2 4.45Å; L311-V322 HydrophobicContact CB-CG2 4.45Å; L311-V322 HydrophobicContact CD1-CG2 4Å; L311-A325 HydrophobicContact CD1-CB 3.81Å
312	I	96.8	Very high	96.8	Very high	9 Å²	9	16.4 Å²	16.4	5%	0.046	8%	0.078	C	C	.	.			trans	-98.4	105.6	-176	-59	174.5	0	0	0	109.4	Y137 I153 P155 I158 K203 F310	Y137-I312 HydrophobicContact CE1-CG2 4.16Å; I153-I312 HydrophobicContact CG2-CG2 3.78Å; P155-I312 HydrophobicContact CG-CD1 4.14Å; I158-I312 HydrophobicContact CD1-CG1 4.04Å; K203-I312 HydrophobicContact CB-CG2 4.12Å; K203-I312 PolarHBondContact N-O 2.92Å; F310-I312 PolarHBondContact O-N 3.22Å
313	C	96.5	Very high	96.7	Very high	6 Å²	6	20.3 Å²	20.3	4%	0.041	10%	0.096	C	C	.	.			trans	-150.3	159.8	167.8	69.6	0	0	0	0	109.3	Y137 M201 L321	Y137-C313 VanDerWaalsContact CD1-O 3.23Å; Y137-C313 WeakPolarHBondContact CD1-O 3.32Å; M201-C313 WeakPolarHBondContact O-CB 3.35Å; C313-L321 WeakPolarHBondContact SG-CD1 3.38Å
314	R	96	Very high	96.7	Very high	42 Å²	42	19.6 Å²	19.6	16%	0.158	9%	0.09	C	C	.	.	S	Bend	trans	-83.9	162.7	174.1	-64.6	172.1	174.8	-76.8	1.9	110.7	A131 E132 E133 L135 Y137	A131-R314 WeakPolarHBondContact O-CB 3.27Å; E132-R314 VanDerWaalsContact C-CD 3.49Å; E132-R314 WeakPolarHBondContact O-CD 3.34Å; E132-R314 PolarHBondContact O-NE 2.73Å; E132-R314 VanDerWaalsContact O-NE 3.16Å; E133-R314 PolarHBondContact O-NE 3.49Å; L135-R314 HydrophobicContact CB-CB 3.77Å; L135-R314 WeakPolarHBondContact O-CB 3.41Å; L135-R314 WeakPolarHBondContact O-CD 3.46Å; L135-R314 VanDerWaalsContact O-CG 3.28Å; L135-R314 WeakPolarHBondContact O-CG 3.3Å; L135-R314 PolarHBondContact O-NH1 3.41Å; Y137-R314 HydrophobicContact CD1-CB 4.38Å; Y137-R314 HydrophobicContact CD1-CG 3.78Å; Y137-R314 HydrophobicContact CD2-CG 4.09Å; Y137-R314 HydrophobicContact CE1-CB 4.28Å; Y137-R314 HydrophobicContact CE1-CG 3.38Å; Y137-R314 HydrophobicContact CE2-CG 3.74Å; Y137-R314 HydrophobicContact CG-CG 4.11Å
315	G	95.9	Very high	96.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	84.3	170.6	174.8	0	0	0	0	0	114.5	E89 P136 W138 V317 R318	E89-G315 WeakPolarHBondContact OE1-CA 3.49Å; P136-G315 PolarHBondContact O-N 2.93Å; W138-G315 VanDerWaalsContact CD1-C 3.42Å; G315-V317 PolarHBondContact O-N 2.94Å; G315-V317 VanDerWaalsContact O-N 3.12Å; G315-R318 PolarHBondContact O-N 3.44Å
316	L	96.4	Very high	96.8	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.5	-178.9	-78	174.3	0	0	0	113.5	D88 E89 W138 V183 P187 W192 R318 I319	D88-L316 HydrophobicContact CB-CD1 3.98Å; E89-L316 HydrophobicContact CG-CD1 3.95Å; E89-L316 HydrophobicContact CG-CG 4.26Å; E89-L316 WeakPolarHBondContact OE1-CG 2.82Å; E89-L316 PolarHBondContact OE1-N 2.84Å; W138-L316 HydrophobicContact CD2-CD2 4.06Å; W138-L316 VanDerWaalsContact CE2-CD2 3.42Å; W138-L316 HydrophobicContact CH2-CD2 4.02Å; W138-L316 HydrophobicContact CZ2-CD2 3.37Å; W138-L316 HydrophobicContact CZ2-CG 4.12Å; V183-L316 HydrophobicContact CB-CD1 4.33Å; V183-L316 HydrophobicContact CG2-CD1 4.25Å; V183-L316 HydrophobicContact CG2-CD2 3.96Å; P187-L316 HydrophobicContact CG-CB 3.78Å; P187-L316 HydrophobicContact CG-CD2 4.36Å; P187-L316 HydrophobicContact CG-CG 4.49Å; W192-L316 HydrophobicContact CH2-CB 4.11Å; W192-L316 HydrophobicContact CZ2-CB 3.79Å; L316-R318 PolarHBondContact O-N 3.21Å; L316-R318 VanDerWaalsContact O-N 3.11Å; L316-I319 HydrophobicContact CD2-CD1 3.65Å; L316-I319 WeakPolarHBondContact O-CB 3.38Å; L316-I319 PolarHBondContact O-N 3.24Å
317	V	96.6	Very high	96.8	Very high	15 Å²	15	19.6 Å²	19.6	9%	0.091	9%	0.088	C	C	.	.	H	α-helix	trans	-59.2	-24.3	179.1	69.2	0	0	0	0	113.2	W192 L196 V200 G315 I319 L320 L321	W192-V317 HydrophobicContact CH2-CB 3.89Å; W192-V317 HydrophobicContact CH2-CG2 4.47Å; W192-V317 HydrophobicContact CZ3-CB 4Å; W192-V317 HydrophobicContact CZ3-CG2 4.08Å; L196-V317 HydrophobicContact CD1-CB 4.44Å; L196-V317 HydrophobicContact CD1-CG2 3.8Å; V200-V317 HydrophobicContact CG1-CG2 4.43Å; V200-V317 HydrophobicContact CG2-CG2 3.68Å; G315-V317 PolarHBondContact O-N 2.94Å; G315-V317 VanDerWaalsContact O-N 3.12Å; V317-I319 PolarHBondContact O-N 3.03Å; V317-L320 PolarHBondContact O-N 3.13Å; V317-L321 PolarHBondContact O-N 3.35Å
318	R	97.3	Very high	96.9	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-59.5	-34	174	-173.8	169	-179.7	-76.7	-10.9	112.5	W138 R308 L311 G315 L316 L321 V322	W138-R318 VanDerWaalsContact O-CD 3.28Å; W138-R318 WeakPolarHBondContact O-CD 3.34Å; W138-R318 PolarHBondContact O-NH1 3.16Å; R308-R318 PolarHBondContact O-NH2 3.34Å; R308-R318 VanDerWaalsContact O-NH2 3.1Å; L311-R318 WeakPolarHBondContact O-CD 3.2Å; L311-R318 PolarHBondContact O-NE 3.5Å; G315-R318 PolarHBondContact O-N 3.44Å; L316-R318 PolarHBondContact O-N 3.21Å; L316-R318 VanDerWaalsContact O-N 3.11Å; R318-L321 PolarHBondContact O-N 3.19Å; R318-V322 HydrophobicContact CG-CG2 4.49Å; R318-V322 WeakPolarHBondContact O-CG2 3.29Å; R318-V322 PolarHBondContact O-N 2.81Å
319	I	97.3	Very high	96.9	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-63.9	-45.9	177.7	-62.6	158.9	0	0	0	109.9	W138 W147 V184 P187 L188 L316 V317 V322 H323	W138-I319 HydrophobicContact CB-CG1 4.47Å; W138-I319 HydrophobicContact CD2-CD1 4.38Å; W138-I319 HydrophobicContact CE3-CD1 4.43Å; W138-I319 HydrophobicContact CG-CD1 4.49Å; W147-I319 HydrophobicContact CD2-CD1 4.39Å; W147-I319 HydrophobicContact CD2-CG1 3.68Å; W147-I319 HydrophobicContact CE3-CD1 4.46Å; W147-I319 HydrophobicContact CE3-CG1 3.62Å; W147-I319 HydrophobicContact CG-CG1 4.27Å; W147-I319 HydrophobicContact CH2-CB 4.33Å; W147-I319 HydrophobicContact CH2-CG1 3.98Å; W147-I319 HydrophobicContact CZ2-CB 4.26Å; W147-I319 HydrophobicContact CZ2-CG1 4.08Å; W147-I319 HydrophobicContact CZ2-CG2 4.13Å; W147-I319 HydrophobicContact CZ3-CG1 3.75Å; V184-I319 HydrophobicContact CB-CD1 4.2Å; V184-I319 HydrophobicContact CG1-CD1 3.91Å; V184-I319 HydrophobicContact CG2-CD1 4.15Å; P187-I319 HydrophobicContact CB-CB 4.38Å; P187-I319 HydrophobicContact CG-CB 4.42Å; P187-I319 HydrophobicContact CG-CD1 4.37Å; L188-I319 HydrophobicContact CD2-CG2 4.37Å; L316-I319 HydrophobicContact CD2-CD1 3.65Å; L316-I319 WeakPolarHBondContact O-CB 3.38Å; L316-I319 PolarHBondContact O-N 3.24Å; V317-I319 PolarHBondContact O-N 3.03Å; I319-V322 PolarHBondContact O-N 3.21Å; I319-H323 PolarHBondContact O-N 3.41Å
320	L	96.6	Very high	97	Very high	13 Å²	13	20.7 Å²	20.7	7%	0.068	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-44.1	176.3	178.1	61.6	0	0	0	111.5	P187 W192 Y193 L282 V317 V322 H323 E324	P187-L320 HydrophobicContact CB-CB 4.09Å; W192-L320 HydrophobicContact CE3-CD2 4.13Å; W192-L320 HydrophobicContact CZ3-CD2 4.3Å; Y193-L320 HydrophobicContact CD2-CD2 4.22Å; Y193-L320 HydrophobicContact CG-CD2 4.37Å; L282-L320 HydrophobicContact CD1-CD2 3.48Å; L282-L320 VanDerWaalsContact CD1-CD2 3.48Å; L282-L320 HydrophobicContact CD1-CG 3.85Å; V317-L320 PolarHBondContact O-N 3.13Å; L320-V322 VanDerWaalsContact C-N 3.35Å; L320-V322 PolarHBondContact O-N 3.29Å; L320-H323 WeakPolarHBondContact O-CB 3.27Å; L320-H323 PolarHBondContact O-N 2.78Å; L320-H323 VanDerWaalsContact O-N 3.15Å; L320-E324 HydrophobicContact CD1-CG 3.77Å; L320-E324 HydrophobicContact CG-CG 4.23Å; L320-E324 WeakPolarHBondContact O-CB 3.46Å; L320-E324 WeakPolarHBondContact O-CG 3.29Å; L320-E324 PolarHBondContact O-N 3.12Å
321	L	97.6	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.9	-46.4	176.3	-79.8	166.9	0	0	0	112.4	V200 L202 L282 I286 L311 C313 V317 R318 H323 E324 A325	V200-L321 HydrophobicContact CG1-CD1 3.78Å; V200-L321 HydrophobicContact CG1-CD2 3.91Å; V200-L321 HydrophobicContact CG1-CG 4.13Å; L202-L321 HydrophobicContact CD2-CD1 3.73Å; L282-L321 HydrophobicContact CD2-CD2 4.42Å; L282-L321 HydrophobicContact CG-CD2 3.96Å; I286-L321 HydrophobicContact CD1-CD2 3.73Å; I286-L321 HydrophobicContact CG1-CD2 3.67Å; L311-L321 HydrophobicContact CD1-CB 4.39Å; L311-L321 HydrophobicContact CD2-CB 4.39Å; L311-L321 HydrophobicContact CD2-CD2 4.45Å; C313-L321 WeakPolarHBondContact SG-CD1 3.38Å; V317-L321 PolarHBondContact O-N 3.35Å; R318-L321 PolarHBondContact O-N 3.19Å; L321-H323 VanDerWaalsContact C-N 3.3Å; L321-H323 PolarHBondContact O-N 3.23Å; L321-E324 PolarHBondContact O-N 3.4Å; L321-A325 WeakPolarHBondContact O-CB 3.16Å; L321-A325 PolarHBondContact O-N 3.07Å
322	V	97.3	Very high	97	Very high	8 Å²	8	20 Å²	20	5%	0.048	9%	0.088	C	C	.	.	H	α-helix	trans	-66.5	-34.1	178.4	171.3	0	0	0	0	111.5	W147 R308 L311 R318 I319 L320 N326	W147-V322 HydrophobicContact CH2-CB 3.93Å; W147-V322 HydrophobicContact CH2-CG1 4.22Å; W147-V322 HydrophobicContact CH2-CG2 3.9Å; W147-V322 HydrophobicContact CZ2-CB 4.18Å; W147-V322 HydrophobicContact CZ2-CG1 4.15Å; R308-V322 HydrophobicContact CG-CG1 4.22Å; R308-V322 HydrophobicContact CG-CG2 4.05Å; L311-V322 HydrophobicContact CB-CG2 4.45Å; L311-V322 HydrophobicContact CD1-CG2 4Å; R318-V322 HydrophobicContact CG-CG2 4.49Å; R318-V322 WeakPolarHBondContact O-CG2 3.29Å; R318-V322 PolarHBondContact O-N 2.81Å; I319-V322 PolarHBondContact O-N 3.21Å; L320-V322 VanDerWaalsContact C-N 3.35Å; L320-V322 PolarHBondContact O-N 3.29Å; V322-N326 PolarHBondContact O-ND2 3.23Å; V322-N326 VanDerWaalsContact O-ND2 3.16Å
323	H	96.2	Very high	97	Very high	87 Å²	87	19.5 Å²	19.5	40%	0.403	9%	0.086	S	C	.	.	H	α-helix	trans	-66.1	-52.5	174.1	-176.4	77.4	0	0	0	111.6	L188 I319 L320 L321 A325 N326	L188-H323 HydrophobicContact CD2-CB 3.61Å; I319-H323 PolarHBondContact O-N 3.41Å; L320-H323 WeakPolarHBondContact O-CB 3.27Å; L320-H323 PolarHBondContact O-N 2.78Å; L320-H323 VanDerWaalsContact O-N 3.15Å; L321-H323 VanDerWaalsContact C-N 3.3Å; L321-H323 PolarHBondContact O-N 3.23Å; H323-A325 VanDerWaalsContact C-N 3.3Å; H323-A325 PolarHBondContact O-N 3.46Å; H323-N326 WeakPolarHBondContact O-CB 3.38Å; H323-N326 PolarHBondContact O-N 3.13Å; H323-N326 VanDerWaalsContact O-N 3.16Å; H323-N326 PolarHBondContact O-ND2 3.4Å
324	E	96.7	Very high	97	Very high	12 Å²	12	20.7 Å²	20.7	6%	0.056	9%	0.091	C	C	.	.	H	α-helix	trans	-67	-28.6	-176.7	-72.5	-64.3	127	0	0	113.2	Y276 L282 I286 L320 L321 N326 R327 I328	Y276-E324 WeakPolarHBondContact OH-CG 3.43Å; Y276-E324 PolarHBondContact OH-OE2 3.21Å; L282-E324 HydrophobicContact CD2-CB 4.1Å; L282-E324 HydrophobicContact CD2-CG 4.14Å; I286-E324 HydrophobicContact CD1-CB 3.78Å; L320-E324 HydrophobicContact CD1-CG 3.77Å; L320-E324 HydrophobicContact CG-CG 4.23Å; L320-E324 WeakPolarHBondContact O-CB 3.46Å; L320-E324 WeakPolarHBondContact O-CG 3.29Å; L320-E324 PolarHBondContact O-N 3.12Å; L321-E324 PolarHBondContact O-N 3.4Å; E324-N326 PolarHBondContact O-N 2.95Å; E324-N326 VanDerWaalsContact O-N 3.14Å; E324-R327 PolarHBondContact O-N 3.24Å; E324-R327 IonicContact OE1-NH1 3.75Å; E324-R327 PolarHBondContact OE1-NH1 3.44Å; E324-R327 IonicContact OE2-CZ 2.87Å; E324-R327 IonicContact OE2-NH1 3.79Å; E324-R327 PolarHBondContact OE2-NH1 2.87Å; E324-I328 HydrophobicContact CB-CD1 4.48Å; E324-I328 PolarHBondContact O-N 2.82Å
325	A	97.8	Very high	97	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-55.3	-31.4	173.2	0	0	0	0	0	112.8	I286 L311 L321 H323 V329	I286-A325 HydrophobicContact CG2-CB 4.24Å; L311-A325 HydrophobicContact CD1-CB 3.81Å; L321-A325 WeakPolarHBondContact O-CB 3.16Å; L321-A325 PolarHBondContact O-N 3.07Å; H323-A325 VanDerWaalsContact C-N 3.3Å; H323-A325 PolarHBondContact O-N 3.46Å; A325-V329 WeakPolarHBondContact O-CB 3.31Å; A325-V329 WeakPolarHBondContact O-CG2 3.46Å; A325-V329 PolarHBondContact O-N 3.17Å
326	N	97	Very high	97	Very high	45 Å²	45	20.8 Å²	20.8	24%	0.241	10%	0.095	C	C	.	.	H	α-helix	trans	-63.4	-46.2	175.6	-62.1	-70.4	0	0	0	112	P304 V322 H323 E324 R330 F349	P304-N326 VanDerWaalsContact CB-OD1 3.25Å; P304-N326 WeakPolarHBondContact CB-OD1 3.12Å; V322-N326 PolarHBondContact O-ND2 3.23Å; V322-N326 VanDerWaalsContact O-ND2 3.16Å; H323-N326 WeakPolarHBondContact O-CB 3.38Å; H323-N326 PolarHBondContact O-N 3.13Å; H323-N326 VanDerWaalsContact O-N 3.16Å; H323-N326 PolarHBondContact O-ND2 3.4Å; E324-N326 PolarHBondContact O-N 2.95Å; E324-N326 VanDerWaalsContact O-N 3.14Å; N326-R330 VanDerWaalsContact O-CB 3.3Å; N326-R330 WeakPolarHBondContact O-CB 3.28Å; N326-R330 PolarHBondContact O-N 3.12Å; N326-F349 HydrophobicContact CB-CE2 4.27Å; N326-F349 HydrophobicContact CB-CZ 4.26Å
327	R	96.2	Very high	97	Very high	88 Å²	88	24.3 Å²	24.3	33%	0.332	11%	0.113	S	C	.	.	H	α-helix	trans	-68.4	-46.8	-179.5	-68	172.9	62	-151.2	1.9	110.7	F273 E275 E324 R330 Y331	F273-R327 HydrophobicContact CE1-CB 4.15Å; E275-R327 IonicContact OE1-CZ 2.95Å; E275-R327 VanDerWaalsContact OE1-CZ 3.31Å; E275-R327 IonicContact OE1-NH1 2.82Å; E275-R327 PolarHBondContact OE1-NH1 3.29Å; E275-R327 IonicContact OE1-NH2 2.76Å; E275-R327 PolarHBondContact OE1-NH2 3.36Å; E324-R327 PolarHBondContact O-N 3.24Å; E324-R327 IonicContact OE1-NH1 3.75Å; E324-R327 PolarHBondContact OE1-NH1 3.44Å; E324-R327 IonicContact OE2-CZ 2.87Å; E324-R327 IonicContact OE2-NH1 3.79Å; E324-R327 PolarHBondContact OE2-NH1 2.87Å; R327-R330 PolarHBondContact O-N 3.28Å; R327-Y331 WeakPolarHBondContact O-CB 3.5Å; R327-Y331 PolarHBondContact O-N 2.7Å
328	I	98.2	Very high	97.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.5	-45.4	-175.8	-63.3	172.4	0	0	0	111.3	F273 Y283 I286 R287 E324 R330 Y331 L332	F273-I328 HydrophobicContact CE1-CG1 4.13Å; F273-I328 HydrophobicContact CZ-CG1 4.12Å; Y283-I328 HydrophobicContact CD2-CD1 3.59Å; Y283-I328 HydrophobicContact CD2-CG1 3.96Å; Y283-I328 HydrophobicContact CE2-CD1 3.97Å; Y283-I328 HydrophobicContact CE2-CG1 3.86Å; Y283-I328 HydrophobicContact CE2-CG2 4.22Å; Y283-I328 HydrophobicContact CG-CD1 4.38Å; I286-I328 HydrophobicContact CB-CD1 3.82Å; I286-I328 HydrophobicContact CB-CG2 4.5Å; I286-I328 HydrophobicContact CD1-CD1 3.75Å; I286-I328 HydrophobicContact CG1-CD1 4.36Å; I286-I328 HydrophobicContact CG2-CB 3.94Å; I286-I328 HydrophobicContact CG2-CD1 3.88Å; I286-I328 HydrophobicContact CG2-CG2 3.83Å; R287-I328 HydrophobicContact CB-CG2 4.44Å; E324-I328 HydrophobicContact CB-CD1 4.48Å; E324-I328 PolarHBondContact O-N 2.82Å; I328-R330 VanDerWaalsContact C-N 3.31Å; I328-R330 PolarHBondContact O-N 2.84Å; I328-Y331 PolarHBondContact O-N 3.23Å; I328-L332 HydrophobicContact CG2-CD1 3.81Å; I328-L332 HydrophobicContact CG2-CG 4.24Å; I328-L332 VanDerWaalsContact O-CG 3.28Å; I328-L332 WeakPolarHBondContact O-CG 3.49Å; I328-L332 PolarHBondContact O-N 2.84Å
329	V	98.3	Very high	97.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.1	-41.9	176.6	170.4	0	0	0	0	111.1	V290 V302 P304 A325 T333 F350	V290-V329 HydrophobicContact CG1-CG2 4.4Å; V290-V329 HydrophobicContact CG2-CG2 3.58Å; V302-V329 VanDerWaalsContact O-CG1 3.32Å; V302-V329 WeakPolarHBondContact O-CG1 3.49Å; P304-V329 HydrophobicContact CG-CB 4.23Å; P304-V329 HydrophobicContact CG-CG1 4.23Å; A325-V329 WeakPolarHBondContact O-CB 3.31Å; A325-V329 WeakPolarHBondContact O-CG2 3.46Å; A325-V329 PolarHBondContact O-N 3.17Å; V329-T333 WeakPolarHBondContact O-CB 3.42Å; V329-T333 PolarHBondContact O-N 3.11Å; V329-T333 PolarHBondContact O-OG1 3.11Å; V329-F350 HydrophobicContact CG1-CE1 4.1Å; V329-F350 HydrophobicContact CG1-CZ 3.71Å
330	R	96.7	Very high	97.2	Very high	80 Å²	80	24.1 Å²	24.1	30%	0.302	11%	0.111	S	C	.	.	H	α-helix	trans	-62.6	-48.3	176.6	-175.8	177.8	-67.8	128.2	-2.3	111.4	N326 R327 I328 T333 Q334 F349 T353	N326-R330 VanDerWaalsContact O-CB 3.3Å; N326-R330 WeakPolarHBondContact O-CB 3.28Å; N326-R330 PolarHBondContact O-N 3.12Å; R327-R330 PolarHBondContact O-N 3.28Å; I328-R330 VanDerWaalsContact C-N 3.31Å; I328-R330 PolarHBondContact O-N 2.84Å; R330-T333 WeakPolarHBondContact O-CB 3.38Å; R330-T333 PolarHBondContact O-N 2.95Å; R330-Q334 HydrophobicContact CG-CG 4.32Å; R330-Q334 VanDerWaalsContact O-CG 3.32Å; R330-Q334 WeakPolarHBondContact O-CG 3.32Å; R330-Q334 PolarHBondContact O-N 2.86Å; R330-F349 HydrophobicContact CB-CE1 4.24Å; R330-F349 HydrophobicContact CB-CZ 4.31Å; R330-F349 VanDerWaalsContact NH2-CZ 3.27Å; R330-T353 HydrophobicContact CG-CG2 4.49Å
331	Y	97.2	Very high	97.2	Very high	6 Å²	6	23.8 Å²	23.8	2%	0.024	11%	0.111	C	C	.	.	H	α-helix	trans	-57.1	-51.7	177.4	168.2	-99.4	0	0	0	112.4	Q268 E269 E272 F273 R327 I328 T333 Q334 K335 Y788	Q268-Y331 PolarHBondContact O-OH 3.36Å; E269-Y331 HydrophobicContact CG-CE1 4.16Å; E269-Y331 PolarHBondContact N-OH 3.46Å; E272-Y331 HydrophobicContact CB-CD2 4.14Å; E272-Y331 HydrophobicContact CB-CE2 3.66Å; E272-Y331 HydrophobicContact CG-CD2 3.48Å; E272-Y331 VanDerWaalsContact CG-CD2 3.48Å; E272-Y331 HydrophobicContact CG-CE2 3.56Å; E272-Y331 HydrophobicContact CG-CG 4.24Å; F273-Y331 AromaticContact CE2-CD1 3.72Å; F273-Y331 HydrophobicContact CE2-CD1 3.72Å; F273-Y331 HydrophobicContact CE2-CD2 4.08Å; F273-Y331 HydrophobicContact CE2-CE1 4.1Å; F273-Y331 HydrophobicContact CE2-CE2 4.39Å; F273-Y331 AromaticContact CE2-CG 3.69Å; F273-Y331 HydrophobicContact CE2-CG 3.69Å; F273-Y331 HydrophobicContact CZ-CD1 4.27Å; F273-Y331 HydrophobicContact CZ-CD2 4.44Å; F273-Y331 AromaticContact CZ-CG 3.92Å; F273-Y331 HydrophobicContact CZ-CG 3.92Å; R327-Y331 WeakPolarHBondContact O-CB 3.5Å; R327-Y331 PolarHBondContact O-N 2.7Å; I328-Y331 PolarHBondContact O-N 3.23Å; Y331-T333 PolarHBondContact O-N 3.18Å; Y331-Q334 PolarHBondContact O-N 3.27Å; Y331-K335 HydrophobicContact CD2-CG 4.22Å; Y331-K335 HydrophobicContact CE1-CG 4.19Å; Y331-K335 HydrophobicContact CE2-CD 4.33Å; Y331-K335 VanDerWaalsContact CE2-CE 3.43Å; Y331-K335 HydrophobicContact CE2-CG 3.89Å; Y331-K335 WeakPolarHBondContact O-CB 3.31Å; Y331-K335 WeakPolarHBondContact O-CG 3.41Å; Y331-K335 PolarHBondContact O-N 3.23Å; Y331-K335 WeakPolarHBondContact OH-CE 3.49Å; Y331-Y788 HydrophobicContact CD2-CE2 4.03Å; Y331-Y788 HydrophobicContact CE2-CE2 4.07Å
332	L	98.1	Very high	97.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-34.4	-179.4	-65.4	173.4	0	0	0	111.8	R287 V290 I328 G336 L337 V338	R287-L332 HydrophobicContact CB-CD1 4.48Å; R287-L332 HydrophobicContact CG-CD1 4.06Å; R287-L332 HydrophobicContact CG-CD2 4.13Å; V290-L332 HydrophobicContact CB-CD1 3.8Å; V290-L332 HydrophobicContact CG1-CD1 3.57Å; V290-L332 HydrophobicContact CG2-CD1 4.37Å; I328-L332 HydrophobicContact CG2-CD1 3.81Å; I328-L332 HydrophobicContact CG2-CG 4.24Å; I328-L332 VanDerWaalsContact O-CG 3.28Å; I328-L332 WeakPolarHBondContact O-CG 3.49Å; I328-L332 PolarHBondContact O-N 2.84Å; L332-G336 PolarHBondContact O-N 3.04Å; L332-L337 HydrophobicContact CD2-CD1 3.74Å; L332-L337 PolarHBondContact O-N 2.89Å; L332-V338 HydrophobicContact CB-CG2 3.87Å; L332-V338 PolarHBondContact O-N 3.31Å
333	T	97.9	Very high	97.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.9	-52.3	173.3	-58.7	0	0	0	0	110.8	W301 V329 R330 Y331 K335 G336 N339 F350 H374 L378	W301-T333 HydrophobicContact CZ3-CG2 4.47Å; V329-T333 WeakPolarHBondContact O-CB 3.42Å; V329-T333 PolarHBondContact O-N 3.11Å; V329-T333 PolarHBondContact O-OG1 3.11Å; R330-T333 WeakPolarHBondContact O-CB 3.38Å; R330-T333 PolarHBondContact O-N 2.95Å; Y331-T333 PolarHBondContact O-N 3.18Å; T333-K335 VanDerWaalsContact C-N 3.25Å; T333-K335 PolarHBondContact O-N 3.43Å; T333-G336 PolarHBondContact O-N 3.5Å; T333-N339 HydrophobicContact CG2-CB 3.73Å; T333-N339 PolarHBondContact OG1-ND2 3.47Å; T333-F350 HydrophobicContact CG2-CD1 3.92Å; T333-F350 HydrophobicContact CG2-CE1 3.83Å; T333-F350 HydrophobicContact CG2-CZ 4.46Å; T333-F350 VanDerWaalsContact OG1-CE1 3.3Å; T333-F350 WeakPolarHBondContact OG1-CE1 3.32Å; T333-H374 PolarHBondContact O-CE1 3.02Å; T333-H374 PolarHBondContact O-NE2 3.21Å; T333-L378 HydrophobicContact CG2-CD2 4.03Å
334	Q	96.2	Very high	96.8	Very high	31 Å²	31	25.7 Å²	25.7	15%	0.145	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-33.9	-179.2	-70.4	171.1	-34.2	0	0	112.9	R330 Y331 G336 T353 L378 Y788 L791	R330-Q334 HydrophobicContact CG-CG 4.32Å; R330-Q334 VanDerWaalsContact O-CG 3.32Å; R330-Q334 WeakPolarHBondContact O-CG 3.32Å; R330-Q334 PolarHBondContact O-N 2.86Å; Y331-Q334 PolarHBondContact O-N 3.27Å; Q334-G336 PolarHBondContact O-N 2.91Å; Q334-T353 HydrophobicContact CG-CG2 4.29Å; Q334-L378 HydrophobicContact CG-CD1 4.33Å; Q334-Y788 HydrophobicContact CB-CD2 3.91Å; Q334-Y788 WeakPolarHBondContact O-CB 3.42Å; Q334-L791 HydrophobicContact CB-CD1 4.47Å; Q334-L791 HydrophobicContact CG-CD1 4.04Å
335	K	95.3	Very high	96.6	Very high	35 Å²	35	30.2 Å²	30.2	15%	0.152	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.6	174	-75.2	-74.2	-170.4	-179.4	0	113.8	Y331 T333 L337 Y788	Y331-K335 HydrophobicContact CD2-CG 4.22Å; Y331-K335 HydrophobicContact CE1-CG 4.19Å; Y331-K335 HydrophobicContact CE2-CD 4.33Å; Y331-K335 VanDerWaalsContact CE2-CE 3.43Å; Y331-K335 HydrophobicContact CE2-CG 3.89Å; Y331-K335 WeakPolarHBondContact O-CB 3.31Å; Y331-K335 WeakPolarHBondContact O-CG 3.41Å; Y331-K335 PolarHBondContact O-N 3.23Å; Y331-K335 WeakPolarHBondContact OH-CE 3.49Å; T333-K335 VanDerWaalsContact C-N 3.25Å; T333-K335 PolarHBondContact O-N 3.43Å; K335-L337 VanDerWaalsContact C-N 3.3Å; K335-L337 HydrophobicContact CB-CD1 4.26Å; K335-L337 HydrophobicContact CB-CG 4Å; K335-L337 PolarHBondContact O-N 3.04Å; K335-Y788 HydrophobicContact CD-CD1 3.85Å; K335-Y788 HydrophobicContact CD-CD2 3.7Å; K335-Y788 HydrophobicContact CD-CE1 4.1Å; K335-Y788 HydrophobicContact CD-CE2 3.98Å; K335-Y788 HydrophobicContact CD-CG 3.63Å; K335-Y788 HydrophobicContact CG-CD2 3.84Å; K335-Y788 HydrophobicContact CG-CE2 4.08Å; K335-Y788 HydrophobicContact CG-CG 4.24Å; K335-Y788 VanDerWaalsContact NZ-CD1 3.31Å
336	G	96.5	Very high	96.5	Very high	8 Å²	8	31.8 Å²	31.8	8%	0.082	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	24.8	-173.8	0	0	0	0	0	113.9	L332 T333 Q334 F340	L332-G336 PolarHBondContact O-N 3.04Å; T333-G336 PolarHBondContact O-N 3.5Å; Q334-G336 PolarHBondContact O-N 2.91Å; G336-F340 VanDerWaalsContact O-CD1 3.28Å; G336-F340 WeakPolarHBondContact O-CD1 3.28Å
337	L	97	Very high	96.3	Very high	77 Å²	77	31.6 Å²	31.6	40%	0.403	17%	0.172	S	C	.	.	S	Bend	trans	-82.1	-28.6	175	-65.2	177.6	0	0	0	112.1	L332 K335	L332-L337 HydrophobicContact CD2-CD1 3.74Å; L332-L337 PolarHBondContact O-N 2.89Å; K335-L337 VanDerWaalsContact C-N 3.3Å; K335-L337 HydrophobicContact CB-CD1 4.26Å; K335-L337 HydrophobicContact CB-CG 4Å; K335-L337 PolarHBondContact O-N 3.04Å
338	V	98.3	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-137.4	171	172.9	-59.2	0	0	0	0	109	V290 I291 W294 L332 F340	V290-V338 HydrophobicContact CG1-CG1 4.14Å; V290-V338 HydrophobicContact CG1-CG2 4.08Å; I291-V338 HydrophobicContact CG1-CG1 4.42Å; W294-V338 HydrophobicContact CB-CB 3.96Å; W294-V338 HydrophobicContact CB-CG1 3.58Å; W294-V338 HydrophobicContact CD2-CB 4.02Å; W294-V338 HydrophobicContact CD2-CG1 4.43Å; W294-V338 HydrophobicContact CE3-CB 4.47Å; W294-V338 HydrophobicContact CG-CB 3.77Å; W294-V338 HydrophobicContact CG-CG1 3.67Å; L332-V338 HydrophobicContact CB-CG2 3.87Å; L332-V338 PolarHBondContact O-N 3.31Å; V338-F340 PolarHBondContact O-N 3Å
339	N	98.2	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	57.3	33.3	172	-66.2	-25.2	0	0	0	113.9	W301 V302 T333 L343 F350	W301-N339 HydrophobicContact CE3-CB 3.74Å; W301-N339 HydrophobicContact CZ3-CB 3.67Å; V302-N339 PolarHBondContact N-OD1 2.95Å; V302-N339 PolarHBondContact O-ND2 3.27Å; T333-N339 HydrophobicContact CG2-CB 3.73Å; T333-N339 PolarHBondContact OG1-ND2 3.47Å; N339-L343 VanDerWaalsContact C-CD1 3.48Å; N339-L343 HydrophobicContact CB-CD1 4.31Å; N339-F350 WeakPolarHBondContact ND2-CZ 3.49Å
340	F	97.8	Very high	95.8	Very high	16 Å²	16	36.7 Å²	36.7	7%	0.07	20%	0.204	C	C	.	.			trans	-109.1	170	177.8	70	-96	0	0	0	111.7	W294 G336 V338 P419 V422 Q426 L784	W294-F340 AromaticContact CE2-CE1 3.93Å; W294-F340 WeakPolarHBondContact CH2-O 3.27Å; W294-F340 AromaticContact CZ2-CD1 3.82Å; W294-F340 HydrophobicContact CZ2-CD1 3.82Å; W294-F340 AromaticContact CZ2-CE1 3.76Å; W294-F340 HydrophobicContact CZ2-CE1 3.76Å; W294-F340 HydrophobicContact CZ2-CG 4.27Å; W294-F340 HydrophobicContact CZ2-CZ 4.15Å; W294-F340 AromaticContact NE1-CE1 3.59Å; G336-F340 VanDerWaalsContact O-CD1 3.28Å; G336-F340 WeakPolarHBondContact O-CD1 3.28Å; V338-F340 PolarHBondContact O-N 3Å; F340-P419 HydrophobicContact CD2-CB 4.35Å; F340-P419 HydrophobicContact CE2-CB 3.48Å; F340-P419 VanDerWaalsContact CE2-CB 3.48Å; F340-P419 HydrophobicContact CZ-CB 3.85Å; F340-V422 HydrophobicContact CE2-CB 4.18Å; F340-V422 HydrophobicContact CE2-CG1 4.08Å; F340-V422 HydrophobicContact CZ-CB 4.16Å; F340-V422 HydrophobicContact CZ-CG1 4Å; F340-V422 HydrophobicContact CZ-CG2 4.3Å; F340-Q426 PolarHBondContact O-NE2 3.01Å; F340-L784 HydrophobicContact CB-CD1 4.21Å; F340-L784 HydrophobicContact CB-CD2 3.93Å; F340-L784 HydrophobicContact CD2-CD1 4.3Å; F340-L784 HydrophobicContact CG-CD1 4.17Å
341	G	97.1	Very high	95.5	Very high	6 Å²	6	34.9 Å²	34.9	6%	0.062	21%	0.205	C	C	.	.	S	Bend	trans	87.7	-141.6	173.8	0	0	0	0	0	113.6	L343	G341-L343 PolarHBondContact O-N 2.76Å
342	I	95.9	Very high	94.9	Very high	32 Å²	32	38 Å²	38	16%	0.164	23%	0.229	C	C	.	.	S	Bend	trans	-99	75.4	-172.2	-52.9	163.7	0	0	0	108.6	M423 Q426 A427 I553 R556 L557	I342-M423 HydrophobicContact CD1-CB 4.16Å; I342-M423 HydrophobicContact CG1-CG 4.46Å; I342-M423 HydrophobicContact CG1-SD 4.32Å; I342-Q426 HydrophobicContact CB-CB 4.43Å; I342-A427 HydrophobicContact CD1-CB 4.03Å; I342-I553 HydrophobicContact CD1-CD1 3.65Å; I342-I553 HydrophobicContact CD1-CG2 4.41Å; I342-R556 HydrophobicContact CD1-CB 3.61Å; I342-R556 HydrophobicContact CD1-CG 4.43Å; I342-R556 HydrophobicContact CG1-CB 4.08Å; I342-R556 HydrophobicContact CG2-CB 3.97Å; I342-L557 HydrophobicContact CG1-CD2 4.19Å; I342-L557 HydrophobicContact CG1-CG 4.41Å
343	L	95.6	Very high	94.3	Very high	21 Å²	21	39.1 Å²	39.1	11%	0.11	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-96.7	159.1	176	-71.2	174.4	0	0	0	111.7	W294 P298 W301 N339 G341	W294-L343 HydrophobicContact CH2-CD1 3.97Å; W294-L343 HydrophobicContact CH2-CD2 4.15Å; W294-L343 HydrophobicContact CH2-CG 4.35Å; W294-L343 HydrophobicContact CZ3-CD1 3.96Å; W294-L343 HydrophobicContact CZ3-CD2 4.07Å; P298-L343 WeakPolarHBondContact O-CD2 3.38Å; W301-L343 HydrophobicContact CD2-CD1 4Å; W301-L343 HydrophobicContact CE3-CD1 4.3Å; W301-L343 HydrophobicContact CH2-CD1 4.25Å; W301-L343 HydrophobicContact CZ2-CB 3.98Å; W301-L343 HydrophobicContact CZ2-CD1 3.97Å; W301-L343 HydrophobicContact CZ3-CD1 4.44Å; N339-L343 VanDerWaalsContact C-CD1 3.48Å; N339-L343 HydrophobicContact CB-CD1 4.31Å; G341-L343 PolarHBondContact O-N 2.76Å
344	P	91.6	Very high	93.6	Very high	81 Å²	81	39.6 Å²	39.6	53%	0.526	24%	0.239	S	C	.	.	S	Bend	trans	-61.7	173.4	166.8	27.8	-34.8	0	0	0	111.3	W301	W301-P344 PolarHBondContact NE1-O 3.01Å
345	S	92.2	Very high	93	Very high	108 Å²	108	45 Å²	45	76%	0.755	27%	0.269	S	S	*	.	S	Bend	trans	-47.5	136.1	179.5	-60.4	0	0	0	0	112.5	W301	W301-S345 PolarHBondContact NE1-O 2.94Å
346	P	94.3	Very high	92.3	Very high	33 Å²	33	53.9 Å²	53.9	21%	0.214	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-67.4	142.4	-175.4	30.1	-38.1	0	0	0	111.5	W301 F350 A351 N377	W301-P346 HydrophobicContact CH2-CB 3.84Å; W301-P346 HydrophobicContact CZ2-CB 3.64Å; P346-F350 HydrophobicContact CB-CB 4.48Å; P346-A351 HydrophobicContact CG-CB 4.32Å; P346-N377 HydrophobicContact CB-CB 4.39Å; P346-N377 WeakPolarHBondContact CB-O 3.24Å; P346-N377 HydrophobicContact CG-CB 4.45Å; P346-N377 WeakPolarHBondContact CG-O 3.49Å
347	P	94.7	Very high	92.3	Very high	42 Å²	42	55 Å²	55	27%	0.273	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-58.7	149.8	164.9	-24.3	32.9	0	0	0	112.3	W301 T303 F349 F350 A351	W301-P347 HydrophobicContact CB-CG 4.04Å; W301-P347 HydrophobicContact CD2-CG 4.4Å; W301-P347 HydrophobicContact CG-CG 4.01Å; T303-P347 HydrophobicContact CG2-CB 4.27Å; T303-P347 HydrophobicContact CG2-CG 3.77Å; P347-F349 PolarHBondContact O-N 2.93Å; P347-F350 HydrophobicContact CB-CD2 4.47Å; P347-F350 HydrophobicContact CG-CD2 4.41Å; P347-F350 PolarHBondContact O-N 3.46Å; P347-A351 PolarHBondContact O-N 2.96Å
348	D	92.8	Very high	92.3	Very high	144 Å²	144	51.8 Å²	51.8	77%	0.77	29%	0.29	S	S	*	.	H	α-helix	trans	-50.9	-35.4	-178.9	-67.6	-16.6	0	0	0	113.7	F350 A351 S352	D348-F350 PolarHBondContact O-N 3.32Å; D348-F350 VanDerWaalsContact O-N 3.13Å; D348-A351 PolarHBondContact O-N 2.85Å; D348-S352 PolarHBondContact O-N 3.49Å
349	F	93.7	Very high	92.2	Very high	51 Å²	51	52 Å²	52	22%	0.224	29%	0.29	C	S	.	.	H	α-helix	trans	-52.3	-35.1	177.3	176.8	-95.4	0	0	0	113.5	P304 N326 R330 P347	P304-F349 HydrophobicContact CG-CD1 4Å; P304-F349 HydrophobicContact CG-CD2 4.18Å; P304-F349 HydrophobicContact CG-CE1 3.59Å; P304-F349 HydrophobicContact CG-CE2 3.76Å; P304-F349 HydrophobicContact CG-CG 4.29Å; P304-F349 HydrophobicContact CG-CZ 3.46Å; P304-F349 VanDerWaalsContact CG-CZ 3.46Å; N326-F349 HydrophobicContact CB-CE2 4.27Å; N326-F349 HydrophobicContact CB-CZ 4.26Å; R330-F349 HydrophobicContact CB-CE1 4.24Å; R330-F349 HydrophobicContact CB-CZ 4.31Å; R330-F349 VanDerWaalsContact NH2-CZ 3.27Å; P347-F349 PolarHBondContact O-N 2.93Å
350	F	94.7	Very high	92.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-93.5	-37.8	178.4	-63.8	-63.1	0	0	0	111.9	W301 T303 V329 T333 N339 P346 P347 D348 S352 T353 L378	W301-F350 HydrophobicContact CD2-CD2 4.48Å; W301-F350 AromaticContact CE3-CD2 3.55Å; W301-F350 HydrophobicContact CE3-CD2 3.55Å; W301-F350 AromaticContact CE3-CE2 3.58Å; W301-F350 HydrophobicContact CE3-CE2 3.58Å; W301-F350 HydrophobicContact CE3-CG 4.41Å; W301-F350 HydrophobicContact CE3-CZ 4.47Å; W301-F350 HydrophobicContact CZ3-CB 4.49Å; W301-F350 AromaticContact CZ3-CD2 3.69Å; W301-F350 HydrophobicContact CZ3-CD2 3.69Å; W301-F350 HydrophobicContact CZ3-CE2 4.04Å; W301-F350 HydrophobicContact CZ3-CG 4.12Å; T303-F350 HydrophobicContact CG2-CE2 4.21Å; V329-F350 HydrophobicContact CG1-CE1 4.1Å; V329-F350 HydrophobicContact CG1-CZ 3.71Å; T333-F350 HydrophobicContact CG2-CD1 3.92Å; T333-F350 HydrophobicContact CG2-CE1 3.83Å; T333-F350 HydrophobicContact CG2-CZ 4.46Å; T333-F350 VanDerWaalsContact OG1-CE1 3.3Å; T333-F350 WeakPolarHBondContact OG1-CE1 3.32Å; N339-F350 WeakPolarHBondContact ND2-CZ 3.49Å; P346-F350 HydrophobicContact CB-CB 4.48Å; P347-F350 HydrophobicContact CB-CD2 4.47Å; P347-F350 HydrophobicContact CG-CD2 4.41Å; P347-F350 PolarHBondContact O-N 3.46Å; D348-F350 PolarHBondContact O-N 3.32Å; D348-F350 VanDerWaalsContact O-N 3.13Å; F350-S352 PolarHBondContact O-N 3.07Å; F350-T353 VanDerWaalsContact O-CB 3.26Å; F350-T353 WeakPolarHBondContact O-CB 3.34Å; F350-T353 PolarHBondContact O-N 3.17Å; F350-T353 PolarHBondContact O-OG1 3.44Å; F350-L378 HydrophobicContact CB-CD2 4.26Å; F350-L378 HydrophobicContact CD1-CD2 4.37Å; F350-L378 CarbonylContact O-C 3.32Å; F350-L378 WeakPolarHBondContact O-CA 3.34Å
351	A	89.7	Confident	92.3	Very high	41 Å²	41	51.4 Å²	51.4	34%	0.339	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-10.9	-176.5	0	0	0	0	0	114.5	P346 P347 D348 G379	P346-A351 HydrophobicContact CG-CB 4.32Å; P347-A351 PolarHBondContact O-N 2.96Å; D348-A351 PolarHBondContact O-N 2.85Å; A351-G379 WeakPolarHBondContact O-CA 3.42Å
352	S	85	Confident	92.4	Very high	73 Å²	73	51.4 Å²	51.4	51%	0.51	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	5.2	174.4	72.6	0	0	0	0	114.2	D348 F350 N355	D348-S352 PolarHBondContact O-N 3.49Å; F350-S352 PolarHBondContact O-N 3.07Å; S352-N355 PolarHBondContact O-OD1 3.25Å
353	T	85	Confident	92.5	Very high	23 Å²	23	50.2 Å²	50.2	14%	0.141	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-41.8	-168.6	-58.9	0	0	0	0	112.8	R330 Q334 F350 N355 L378	R330-T353 HydrophobicContact CG-CG2 4.49Å; Q334-T353 HydrophobicContact CG-CG2 4.29Å; F350-T353 VanDerWaalsContact O-CB 3.26Å; F350-T353 WeakPolarHBondContact O-CB 3.34Å; F350-T353 PolarHBondContact O-N 3.17Å; F350-T353 PolarHBondContact O-OG1 3.44Å; T353-N355 PolarHBondContact O-N 3.02Å; T353-L378 CarbonylContact C-O 3.54Å; T353-L378 WeakPolarHBondContact CB-O 3.43Å; T353-L378 HydrophobicContact CG2-CD2 4.41Å; T353-L378 PolarHBondContact N-O 3.1Å
354	A	84.2	Confident	92.6	Very high	10 Å²	10	49.2 Å²	49.2	8%	0.083	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	2.9	-172.6	0	0	0	0	0	114.5	R356 L357 L378 A380 L791	A354-R356 VanDerWaalsContact C-N 3.26Å; A354-R356 PolarHBondContact O-N 3.4Å; A354-R356 VanDerWaalsContact O-N 3.08Å; A354-L357 HydrophobicContact CB-CB 4.33Å; A354-L357 VanDerWaalsContact O-CB 3.22Å; A354-L357 WeakPolarHBondContact O-CB 3.34Å; A354-L357 PolarHBondContact O-N 3.24Å; A354-L378 WeakPolarHBondContact CB-O 3.46Å; A354-L378 PolarHBondContact N-O 3.22Å; A354-A380 HydrophobicContact CB-CB 3.77Å; A354-L791 HydrophobicContact CB-CD2 3.56Å
355	N	83.4	Confident	92.9	Very high	143 Å²	143	46.2 Å²	46.2	77%	0.765	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	40.8	176.4	-68.4	-30.6	0	0	0	115.1	S352 T353 L357	S352-N355 PolarHBondContact O-OD1 3.25Å; T353-N355 PolarHBondContact O-N 3.02Å; N355-L357 VanDerWaalsContact C-N 3.31Å; N355-L357 PolarHBondContact O-N 2.91Å
356	R	81.5	Confident	93.2	Very high	222 Å²	222	41.6 Å²	41.6	84%	0.838	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	26.5	-177.2	-52.7	-178.5	175.8	174.6	-1.4	115.3	A354 S358	A354-R356 VanDerWaalsContact C-N 3.26Å; A354-R356 PolarHBondContact O-N 3.4Å; A354-R356 VanDerWaalsContact O-N 3.08Å; R356-S358 PolarHBondContact O-N 3.07Å
357	L	94.6	Very high	93.3	Very high	32 Å²	32	41 Å²	41	17%	0.168	22%	0.224	C	C	.	.			trans	-53.2	127.7	169	179	68.4	0	0	0	110.7	A354 N355 V359 A380 E381 D592 K593 I790 L791	A354-L357 HydrophobicContact CB-CB 4.33Å; A354-L357 VanDerWaalsContact O-CB 3.22Å; A354-L357 WeakPolarHBondContact O-CB 3.34Å; A354-L357 PolarHBondContact O-N 3.24Å; N355-L357 VanDerWaalsContact C-N 3.31Å; N355-L357 PolarHBondContact O-N 2.91Å; L357-V359 HydrophobicContact CD2-CG2 3.87Å; L357-V359 HydrophobicContact CG-CG2 3.87Å; L357-A380 CarbonylContact O-C 3.5Å; L357-A380 WeakPolarHBondContact O-CA 3.44Å; L357-E381 PolarHBondContact O-N 2.65Å; L357-D592 HydrophobicContact CD1-CB 3.88Å; L357-K593 HydrophobicContact CD1-CG 4.17Å; L357-I790 HydrophobicContact CD2-CG2 3.64Å; L357-L791 HydrophobicContact CD2-CD2 4.43Å
358	S	97	Very high	93.5	Very high	10 Å²	10	39 Å²	39	7%	0.07	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.6	175	67.7	0	0	0	0	111.4	R356 E381 R578 D592 K593	R356-S358 PolarHBondContact O-N 3.07Å; S358-E381 CarbonylContact C-O 3.13Å; S358-E381 WeakPolarHBondContact CA-O 3.2Å; S358-R578 PolarHBondContact OG-NH2 3.42Å; S358-D592 WeakPolarHBondContact CB-OD2 3.32Å; S358-D592 PolarHBondContact N-OD2 2.75Å; S358-D592 PolarHBondContact O-N 2.95Å; S358-D592 PolarHBondContact OG-N 3.26Å; S358-D592 VanDerWaalsContact OG-N 3.1Å; S358-D592 PolarHBondContact OG-OD1 2.9Å; S358-D592 PolarHBondContact OG-OD2 3.27Å; S358-K593 PolarHBondContact O-N 3.1Å
359	V	98.1	Very high	93.8	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.3	-176.7	-172.2	0	0	0	0	110.4	L357 I361 L375 E381 V382 M383 K593 I790	L357-V359 HydrophobicContact CD2-CG2 3.87Å; L357-V359 HydrophobicContact CG-CG2 3.87Å; V359-I361 HydrophobicContact CG1-CG1 4.18Å; V359-L375 HydrophobicContact CB-CD1 4.25Å; V359-L375 HydrophobicContact CG1-CD1 3.95Å; V359-L375 HydrophobicContact CG2-CD1 4.27Å; V359-E381 PolarHBondContact N-O 2.78Å; V359-V382 WeakPolarHBondContact O-CA 3.49Å; V359-M383 PolarHBondContact O-N 2.79Å; V359-M383 VanDerWaalsContact O-N 3.1Å; V359-K593 WeakPolarHBondContact CA-O 3.24Å; V359-K593 HydrophobicContact CG1-CB 4.43Å; V359-K593 HydrophobicContact CG2-CB 4.41Å; V359-I790 HydrophobicContact CG1-CD1 4.38Å; V359-I790 HydrophobicContact CG2-CG2 3.84Å
360	L	98.4	Very high	94	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.7	171.7	-165.3	71.8	0	0	0	110.1	M383 L385 V581 F589 S591 K593 V594 L595	L360-M383 WeakPolarHBondContact CA-O 3.47Å; L360-M383 HydrophobicContact CD1-CB 3.84Å; L360-M383 HydrophobicContact CD1-CG 3.96Å; L360-M383 HydrophobicContact CD1-SD 4.06Å; L360-L385 HydrophobicContact CD1-CD1 4.15Å; L360-L385 HydrophobicContact CD1-CD2 4.32Å; L360-L385 HydrophobicContact CD1-CG 3.9Å; L360-L385 HydrophobicContact CD2-CD1 3.85Å; L360-L385 HydrophobicContact CD2-CG 4.42Å; L360-L385 HydrophobicContact CG-CD1 4.26Å; L360-L385 HydrophobicContact CG-CG 4.29Å; L360-V581 HydrophobicContact CD2-CB 3.55Å; L360-V581 HydrophobicContact CD2-CG1 3.96Å; L360-V581 HydrophobicContact CD2-CG2 3.49Å; L360-V581 VanDerWaalsContact CD2-CG2 3.49Å; L360-F589 HydrophobicContact CD1-CB 4.44Å; L360-F589 HydrophobicContact CD2-CB 3.98Å; L360-S591 WeakPolarHBondContact CB-OG 3.4Å; L360-K593 PolarHBondContact N-O 2.93Å; L360-V594 CarbonylContact O-C 3.59Å; L360-V594 VanDerWaalsContact O-CA 3.26Å; L360-V594 WeakPolarHBondContact O-CA 3.41Å; L360-L595 PolarHBondContact O-N 2.93Å
361	I	98.7	Very high	94.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132	179.4	-55.1	-172.6	0	0	0	109.2	V359 A371 A372 L375 V382 M383 I384 L385 L595 T597	V359-I361 HydrophobicContact CG1-CG1 4.18Å; I361-A371 HydrophobicContact CD1-CB 4.05Å; I361-A372 HydrophobicContact CD1-CB 3.79Å; I361-L375 HydrophobicContact CD1-CD1 4.22Å; I361-V382 HydrophobicContact CD1-CG1 3.78Å; I361-V382 HydrophobicContact CG1-CG1 4.07Å; I361-M383 PolarHBondContact N-O 3.38Å; I361-I384 HydrophobicContact CB-CG1 4.31Å; I361-I384 CarbonylContact O-C 3.29Å; I361-I384 VanDerWaalsContact O-CA 3.28Å; I361-I384 WeakPolarHBondContact O-CA 3.25Å; I361-L385 PolarHBondContact O-N 3.21Å; I361-L595 WeakPolarHBondContact CA-O 3.36Å; I361-L595 HydrophobicContact CD1-CD2 4.33Å; I361-L595 HydrophobicContact CG1-CB 4.24Å; I361-L595 HydrophobicContact CG2-CD2 4.43Å; I361-T597 HydrophobicContact CG2-CG2 4.22Å
362	I	98.6	Very high	94.6	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.6	-179.6	-54.7	174.3	0	0	0	108.4	V569 I572 V581 V594 L595 V596 T597 V598	I362-V569 HydrophobicContact CD1-CB 4.32Å; I362-V569 HydrophobicContact CD1-CG1 3.98Å; I362-V569 HydrophobicContact CD1-CG2 4Å; I362-V569 HydrophobicContact CG1-CG2 4.07Å; I362-V569 HydrophobicContact CG2-CB 4.14Å; I362-V569 HydrophobicContact CG2-CG2 3.86Å; I362-I572 HydrophobicContact CD1-CD1 3.31Å; I362-I572 HydrophobicContact CD1-CG1 3.93Å; I362-V581 HydrophobicContact CD1-CG1 4.28Å; I362-V594 HydrophobicContact CD1-CG2 3.78Å; I362-V594 HydrophobicContact CG1-CG2 4.15Å; I362-L595 PolarHBondContact N-O 3.39Å; I362-V596 HydrophobicContact CD1-CG2 4.29Å; I362-T597 WeakPolarHBondContact O-CA 3.16Å; I362-T597 PolarHBondContact O-N 3.42Å; I362-T597 PolarHBondContact O-OG1 3.3Å; I362-V598 HydrophobicContact CG2-CG1 3.71Å
363	G	98.2	Very high	95.2	Very high	8 Å²	8	26 Å²	26	8%	0.082	13%	0.13	C	C	.	.			trans	101.7	123.9	-174.4	0	0	0	0	0	112.8	L385 T597	G363-L385 PolarHBondContact N-O 3.45Å; G363-T597 PolarHBondContact O-OG1 2.98Å
364	A	98.4	Very high	95.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.			trans	-99.6	33.5	175.4	0	0	0	0	0	112.1	L369 I384 E386 I391 G392 I563	A364-L369 HydrophobicContact CB-CD2 4.42Å; A364-L369 VanDerWaalsContact O-CD1 3.28Å; A364-L369 WeakPolarHBondContact O-CD1 3.42Å; A364-I384 HydrophobicContact CB-CG2 3.92Å; A364-E386 HydrophobicContact CB-CB 3.82Å; A364-E386 HydrophobicContact CB-CG 3.98Å; A364-E386 PolarHBondContact N-OE2 3.2Å; A364-I391 HydrophobicContact CB-CB 4.12Å; A364-I391 HydrophobicContact CB-CG2 3.79Å; A364-G392 PolarHBondContact O-N 3.02Å; A364-I563 HydrophobicContact CB-CG2 4.35Å
365	G	97.7	Very high	96.4	Very high	18 Å²	18	24.6 Å²	24.6	19%	0.186	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-75.7	175.1	164.6	0	0	0	0	0	111.8	S367 G368 L369	G365-S367 PolarHBondContact O-N 3.14Å; G365-S367 VanDerWaalsContact O-N 3.12Å; G365-G368 PolarHBondContact O-N 3.42Å; G365-G368 VanDerWaalsContact O-N 3.07Å; G365-L369 WeakPolarHBondContact O-CG 3.49Å; G365-L369 PolarHBondContact O-N 3.26Å
366	I	97.8	Very high	97	Very high	11 Å²	11	20.9 Å²	20.9	6%	0.056	10%	0.099	C	C	.	.	H	α-helix	trans	-55.1	-35.6	-176.5	-164.5	170.7	0	0	0	113.8	T370 I395 F420 I554 L557 F776 A779 L780	I366-T370 WeakPolarHBondContact O-CB 3.37Å; I366-T370 PolarHBondContact O-N 3.38Å; I366-T370 PolarHBondContact O-OG1 2.92Å; I366-I395 HydrophobicContact CB-CD1 4.1Å; I366-I395 HydrophobicContact CD1-CD1 4.02Å; I366-I395 HydrophobicContact CG2-CD1 4.41Å; I366-F420 HydrophobicContact CD1-CD2 3.72Å; I366-F420 HydrophobicContact CD1-CE2 3.73Å; I366-I554 HydrophobicContact CB-CD1 3.85Å; I366-I554 HydrophobicContact CG1-CD1 4.12Å; I366-L557 HydrophobicContact CG1-CD1 4.26Å; I366-F776 HydrophobicContact CD1-CB 4.34Å; I366-F776 HydrophobicContact CG2-CB 4.29Å; I366-A779 HydrophobicContact CG2-CB 3.57Å; I366-L780 HydrophobicContact CD1-CB 4.21Å; I366-L780 HydrophobicContact CD1-CD1 4.39Å; I366-L780 HydrophobicContact CG1-CB 4.3Å
367	S	97.6	Very high	97.7	Very high	19 Å²	19	10.7 Å²	10.7	13%	0.133	6%	0.061	C	C	.	.	H	α-helix	trans	-61.7	-52.4	175.5	-177.2	0	0	0	0	111.7	G365 T370 A371 A779 S782	G365-S367 PolarHBondContact O-N 3.14Å; G365-S367 VanDerWaalsContact O-N 3.12Å; S367-T370 PolarHBondContact O-N 3.43Å; S367-A371 WeakPolarHBondContact O-CB 3.15Å; S367-A371 PolarHBondContact O-N 3.05Å; S367-A779 WeakPolarHBondContact CA-O 3.25Å; S367-A779 VanDerWaalsContact CB-O 3.29Å; S367-A779 WeakPolarHBondContact CB-O 3.29Å; S367-A779 PolarHBondContact OG-O 3.34Å; S367-S782 PolarHBondContact OG-OG 2.9Å
368	G	98.3	Very high	97.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.4	-41.4	-179	0	0	0	0	0	112.3	G365 A371 A372	G365-G368 PolarHBondContact O-N 3.42Å; G365-G368 VanDerWaalsContact O-N 3.07Å; G368-A371 PolarHBondContact O-N 3.3Å; G368-A372 VanDerWaalsContact O-CB 3.24Å; G368-A372 WeakPolarHBondContact O-CB 3.44Å; G368-A372 PolarHBondContact O-N 3.05Å
369	L	98.6	Very high	97.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.6	-40.5	177	-70.3	172.2	0	0	0	112.7	A364 G365 A372 R373 I384 I554 L557 A558 L561 I563	A364-L369 HydrophobicContact CB-CD2 4.42Å; A364-L369 VanDerWaalsContact O-CD1 3.28Å; A364-L369 WeakPolarHBondContact O-CD1 3.42Å; G365-L369 WeakPolarHBondContact O-CG 3.49Å; G365-L369 PolarHBondContact O-N 3.26Å; L369-A372 PolarHBondContact O-N 2.53Å; L369-R373 WeakPolarHBondContact O-CB 2.96Å; L369-R373 PolarHBondContact O-N 3.33Å; L369-I384 HydrophobicContact CD2-CD1 3.8Å; L369-I554 HydrophobicContact CD1-CB 4.44Å; L369-I554 HydrophobicContact CD1-CD1 4.07Å; L369-I554 HydrophobicContact CD1-CG2 3.61Å; L369-L557 HydrophobicContact CB-CB 4.12Å; L369-L557 HydrophobicContact CB-CD1 4.49Å; L369-A558 HydrophobicContact CD2-CB 3.96Å; L369-L561 HydrophobicContact CD2-CD1 4.15Å; L369-I563 HydrophobicContact CD2-CD1 3.82Å
370	T	98.4	Very high	97.6	Very high	4 Å²	4	10.1 Å²	10.1	3%	0.025	6%	0.064	C	C	.	.	H	α-helix	trans	-64.6	-47.5	176.7	-59.4	0	0	0	0	110.8	I366 S367 A372 R373 H374 L780 L784	I366-T370 WeakPolarHBondContact O-CB 3.37Å; I366-T370 PolarHBondContact O-N 3.38Å; I366-T370 PolarHBondContact O-OG1 2.92Å; S367-T370 PolarHBondContact O-N 3.43Å; T370-A372 VanDerWaalsContact C-N 3.34Å; T370-A372 PolarHBondContact O-N 3.11Å; T370-R373 PolarHBondContact O-N 3.22Å; T370-H374 WeakPolarHBondContact O-CB 3.1Å; T370-H374 PolarHBondContact O-N 3.02Å; T370-L780 HydrophobicContact CG2-CD2 4.01Å; T370-L780 HydrophobicContact CG2-CG 3.98Å; T370-L784 HydrophobicContact CG2-CD2 3.64Å; T370-L784 HydrophobicContact CG2-CG 3.71Å
371	A	98.2	Very high	97.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.8	-45.7	176	0	0	0	0	0	111.3	I361 S367 G368 H374 L375 L595 V787	I361-A371 HydrophobicContact CD1-CB 4.05Å; S367-A371 WeakPolarHBondContact O-CB 3.15Å; S367-A371 PolarHBondContact O-N 3.05Å; G368-A371 PolarHBondContact O-N 3.3Å; A371-H374 PolarHBondContact O-N 3.19Å; A371-L375 VanDerWaalsContact O-CB 3.29Å; A371-L375 WeakPolarHBondContact O-CB 3.12Å; A371-L375 WeakPolarHBondContact O-CG 3.12Å; A371-L375 PolarHBondContact O-N 3.47Å; A371-L595 HydrophobicContact CB-CD2 3.61Å; A371-V787 HydrophobicContact CB-CG2 4.11Å
372	A	98.3	Very high	97.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61	-48.7	179.4	0	0	0	0	0	112.7	I361 G368 L369 T370 H374 L375 Q376 V382 I384 L561	I361-A372 HydrophobicContact CD1-CB 3.79Å; G368-A372 VanDerWaalsContact O-CB 3.24Å; G368-A372 WeakPolarHBondContact O-CB 3.44Å; G368-A372 PolarHBondContact O-N 3.05Å; L369-A372 PolarHBondContact O-N 2.53Å; T370-A372 VanDerWaalsContact C-N 3.34Å; T370-A372 PolarHBondContact O-N 3.11Å; A372-H374 VanDerWaalsContact C-N 3.32Å; A372-H374 PolarHBondContact O-N 2.72Å; A372-L375 PolarHBondContact O-N 3.41Å; A372-Q376 VanDerWaalsContact O-CB 3.3Å; A372-Q376 WeakPolarHBondContact O-CB 3.47Å; A372-Q376 PolarHBondContact O-N 3.41Å; A372-V382 HydrophobicContact CB-CG1 3.8Å; A372-I384 HydrophobicContact CB-CD1 3.51Å; A372-I384 HydrophobicContact CB-CG1 4Å; A372-L561 HydrophobicContact CB-CD1 3.66Å; A372-L561 HydrophobicContact CB-CD2 4.34Å
373	R	97.9	Very high	97.5	Very high	32 Å²	32	18.6 Å²	18.6	12%	0.121	11%	0.105	C	C	.	.	H	α-helix	trans	-57.6	-48.2	177.2	175	57.7	65.1	-173.8	19.1	110.9	L369 T370 Q376 N377 R556 L557 N559	L369-R373 WeakPolarHBondContact O-CB 2.96Å; L369-R373 PolarHBondContact O-N 3.33Å; T370-R373 PolarHBondContact O-N 3.22Å; R373-Q376 PolarHBondContact O-N 3.41Å; R373-N377 WeakPolarHBondContact O-CB 3.42Å; R373-N377 VanDerWaalsContact O-CG 3.22Å; R373-N377 PolarHBondContact O-N 3.34Å; R373-N377 PolarHBondContact O-OD1 3.16Å; R373-R556 PolarHBondContact NH2-O 3.21Å; R373-L557 HydrophobicContact CB-CD2 4.28Å; R373-L557 HydrophobicContact CG-CD2 4.26Å; R373-L557 VanDerWaalsContact CZ-O 3.3Å; R373-L557 PolarHBondContact NE-O 2.98Å; R373-L557 VanDerWaalsContact NE-O 3.15Å; R373-L557 PolarHBondContact NH2-O 3.43Å; R373-N559 PolarHBondContact NH1-O 3.49Å; R373-N559 PolarHBondContact NH2-O 2.84Å
374	H	97.6	Very high	97.5	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.019	10%	0.101	C	C	.	.	H	α-helix	trans	-70.6	-39.6	-175	-165.1	60.7	0	0	0	111.9	T333 T370 A371 A372 N377 L378 L784 V787	T333-H374 PolarHBondContact O-CE1 3.02Å; T333-H374 PolarHBondContact O-NE2 3.21Å; T370-H374 WeakPolarHBondContact O-CB 3.1Å; T370-H374 PolarHBondContact O-N 3.02Å; A371-H374 PolarHBondContact O-N 3.19Å; A372-H374 VanDerWaalsContact C-N 3.32Å; A372-H374 PolarHBondContact O-N 2.72Å; H374-N377 PolarHBondContact O-N 3.49Å; H374-L378 VanDerWaalsContact O-CG 3.31Å; H374-L378 WeakPolarHBondContact O-CG 3.49Å; H374-L378 PolarHBondContact O-N 3.47Å; H374-L784 HydrophobicContact CB-CD2 4.16Å; H374-V787 HydrophobicContact CB-CG2 4.07Å; H374-V787 VanDerWaalsContact CD2-CG1 3.46Å; H374-V787 WeakPolarHBondContact CD2-CG1 3.44Å
375	L	97.4	Very high	97.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.7	-45.2	171.8	-80.2	166.1	0	0	0	112.7	V359 I361 A371 A372 N377 L378 G379 A380 V382 V787 I790 L791	V359-L375 HydrophobicContact CB-CD1 4.25Å; V359-L375 HydrophobicContact CG1-CD1 3.95Å; V359-L375 HydrophobicContact CG2-CD1 4.27Å; I361-L375 HydrophobicContact CD1-CD1 4.22Å; A371-L375 VanDerWaalsContact O-CB 3.29Å; A371-L375 WeakPolarHBondContact O-CB 3.12Å; A371-L375 WeakPolarHBondContact O-CG 3.12Å; A371-L375 PolarHBondContact O-N 3.47Å; A372-L375 PolarHBondContact O-N 3.41Å; L375-N377 VanDerWaalsContact C-N 3.32Å; L375-N377 PolarHBondContact O-N 3.2Å; L375-L378 CarbonylContact O-C 3.38Å; L375-L378 PolarHBondContact O-N 3.12Å; L375-L378 VanDerWaalsContact O-N 3.1Å; L375-G379 PolarHBondContact O-N 3.13Å; L375-A380 HydrophobicContact CB-CB 4.04Å; L375-A380 HydrophobicContact CD2-CB 4.22Å; L375-A380 WeakPolarHBondContact O-CB 3.28Å; L375-A380 PolarHBondContact O-N 3.04Å; L375-V382 HydrophobicContact CB-CG2 3.57Å; L375-V382 HydrophobicContact CD1-CG2 4.46Å; L375-V787 HydrophobicContact CD1-CG2 4.32Å; L375-V787 HydrophobicContact CD2-CB 4.45Å; L375-V787 HydrophobicContact CD2-CG1 3.75Å; L375-V787 HydrophobicContact CD2-CG2 4.46Å; L375-V787 HydrophobicContact CG-CB 4.3Å; L375-V787 HydrophobicContact CG-CG1 3.88Å; L375-V787 HydrophobicContact CG-CG2 3.79Å; L375-I790 HydrophobicContact CD1-CD1 4.1Å; L375-I790 HydrophobicContact CD2-CB 4.39Å; L375-I790 HydrophobicContact CD2-CG2 3.84Å; L375-L791 HydrophobicContact CD2-CD2 4.11Å; L375-L791 HydrophobicContact CD2-CG 4.24Å
376	Q	96.1	Very high	97.6	Very high	66 Å²	66	18.1 Å²	18.1	31%	0.308	10%	0.096	S	C	.	.	H	α-helix	trans	-59.9	-44.7	176.3	-179.2	-173.6	66.4	0	0	110.7	A372 R373 L378 G379 G560 L561	A372-Q376 VanDerWaalsContact O-CB 3.3Å; A372-Q376 WeakPolarHBondContact O-CB 3.47Å; A372-Q376 PolarHBondContact O-N 3.41Å; R373-Q376 PolarHBondContact O-N 3.41Å; Q376-L378 PolarHBondContact O-N 3.38Å; Q376-G379 PolarHBondContact O-N 3.05Å; Q376-G560 PolarHBondContact NE2-O 2.88Å; Q376-L561 HydrophobicContact CB-CD2 4.14Å; Q376-L561 HydrophobicContact CG-CD2 4.46Å
377	N	95.9	Very high	97.6	Very high	7 Å²	7	19 Å²	19	4%	0.037	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-24.5	177.9	-75.5	-3	0	0	0	113.1	W301 P346 R373 H374 L375	W301-N377 HydrophobicContact CH2-CB 3.93Å; W301-N377 HydrophobicContact CZ2-CB 4.38Å; P346-N377 HydrophobicContact CB-CB 4.39Å; P346-N377 WeakPolarHBondContact CB-O 3.24Å; P346-N377 HydrophobicContact CG-CB 4.45Å; P346-N377 WeakPolarHBondContact CG-O 3.49Å; R373-N377 WeakPolarHBondContact O-CB 3.42Å; R373-N377 VanDerWaalsContact O-CG 3.22Å; R373-N377 PolarHBondContact O-N 3.34Å; R373-N377 PolarHBondContact O-OD1 3.16Å; H374-N377 PolarHBondContact O-N 3.49Å; L375-N377 VanDerWaalsContact C-N 3.32Å; L375-N377 PolarHBondContact O-N 3.2Å
378	L	96.2	Very high	97.6	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	6	176.7	-66.7	170.9	0	0	0	113.1	T333 Q334 F350 T353 A354 H374 L375 Q376 V787 L791	T333-L378 HydrophobicContact CG2-CD2 4.03Å; Q334-L378 HydrophobicContact CG-CD1 4.33Å; F350-L378 HydrophobicContact CB-CD2 4.26Å; F350-L378 HydrophobicContact CD1-CD2 4.37Å; F350-L378 CarbonylContact O-C 3.32Å; F350-L378 WeakPolarHBondContact O-CA 3.34Å; T353-L378 CarbonylContact C-O 3.54Å; T353-L378 WeakPolarHBondContact CB-O 3.43Å; T353-L378 HydrophobicContact CG2-CD2 4.41Å; T353-L378 PolarHBondContact N-O 3.1Å; A354-L378 WeakPolarHBondContact CB-O 3.46Å; A354-L378 PolarHBondContact N-O 3.22Å; H374-L378 VanDerWaalsContact O-CG 3.31Å; H374-L378 WeakPolarHBondContact O-CG 3.49Å; H374-L378 PolarHBondContact O-N 3.47Å; L375-L378 CarbonylContact O-C 3.38Å; L375-L378 PolarHBondContact O-N 3.12Å; L375-L378 VanDerWaalsContact O-N 3.1Å; Q376-L378 PolarHBondContact O-N 3.38Å; L378-V787 HydrophobicContact CD1-CG1 3.92Å; L378-L791 HydrophobicContact CB-CD1 4.33Å; L378-L791 HydrophobicContact CD1-CD1 3.45Å; L378-L791 VanDerWaalsContact CD1-CD1 3.45Å; L378-L791 HydrophobicContact CG-CD1 4.46Å
379	G	94.9	Very high	97.5	Very high	23 Å²	23	22.2 Å²	22.2	24%	0.237	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	13.4	173.4	0	0	0	0	0	116	A351 L375 Q376	A351-G379 WeakPolarHBondContact O-CA 3.42Å; L375-G379 PolarHBondContact O-N 3.13Å; Q376-G379 PolarHBondContact O-N 3.05Å
380	A	96.7	Very high	97.4	Very high	9 Å²	9	27.1 Å²	27.1	7%	0.074	15%	0.151	C	C	.	.			trans	-80.1	147.7	174.7	0	0	0	0	0	111	A354 L357 L375 V382	A354-A380 HydrophobicContact CB-CB 3.77Å; L357-A380 CarbonylContact O-C 3.5Å; L357-A380 WeakPolarHBondContact O-CA 3.44Å; L375-A380 HydrophobicContact CB-CB 4.04Å; L375-A380 HydrophobicContact CD2-CB 4.22Å; L375-A380 WeakPolarHBondContact O-CB 3.28Å; L375-A380 PolarHBondContact O-N 3.04Å; A380-V382 HydrophobicContact CB-CG2 4.1Å; A380-V382 PolarHBondContact O-N 2.84Å
381	E	96.7	Very high	97.4	Very high	131 Å²	131	28.8 Å²	28.8	61%	0.612	16%	0.159	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	109.3	167.7	-174.7	-175.4	173	0	0	108.6	L357 S358 V359	L357-E381 PolarHBondContact O-N 2.65Å; S358-E381 CarbonylContact C-O 3.13Å; S358-E381 WeakPolarHBondContact CA-O 3.2Å; V359-E381 PolarHBondContact N-O 2.78Å
382	V	97.9	Very high	97.4	Very high	15 Å²	15	29 Å²	29	9%	0.091	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.2	-175.6	-172.2	0	0	0	0	111.1	V359 I361 A372 L375 A380	V359-V382 WeakPolarHBondContact O-CA 3.49Å; I361-V382 HydrophobicContact CD1-CG1 3.78Å; I361-V382 HydrophobicContact CG1-CG1 4.07Å; A372-V382 HydrophobicContact CB-CG1 3.8Å; L375-V382 HydrophobicContact CB-CG2 3.57Å; L375-V382 HydrophobicContact CD1-CG2 4.46Å; A380-V382 HydrophobicContact CB-CG2 4.1Å; A380-V382 PolarHBondContact O-N 2.84Å
383	M	98.6	Very high	97.3	Very high	43 Å²	43	29.9 Å²	29.9	21%	0.212	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.1	166.9	-178.2	-176.3	-62.6	0	0	110	V359 L360 I361 L385 N562 K564 F589	V359-M383 PolarHBondContact O-N 2.79Å; V359-M383 VanDerWaalsContact O-N 3.1Å; L360-M383 WeakPolarHBondContact CA-O 3.47Å; L360-M383 HydrophobicContact CD1-CB 3.84Å; L360-M383 HydrophobicContact CD1-CG 3.96Å; L360-M383 HydrophobicContact CD1-SD 4.06Å; I361-M383 PolarHBondContact N-O 3.38Å; M383-L385 HydrophobicContact CG-CD2 4.43Å; M383-L385 HydrophobicContact SD-CD2 4.18Å; M383-N562 WeakPolarHBondContact CA-O 3.33Å; M383-N562 WeakPolarHBondContact CE-ND2 3.38Å; M383-K564 HydrophobicContact CG-CG 4.32Å; M383-K564 HydrophobicContact SD-CG 4.13Å; M383-F589 HydrophobicContact CE-CD1 4.45Å; M383-F589 HydrophobicContact SD-CD1 3.54Å; M383-F589 VanDerWaalsContact SD-CD1 3.54Å; M383-F589 HydrophobicContact SD-CE1 3.63Å
384	I	98.8	Very high	97.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133	175.3	-47.2	-175.5	0	0	0	109.7	I361 A364 L369 A372 L561 N562 I563 K564	I361-I384 HydrophobicContact CB-CG1 4.31Å; I361-I384 CarbonylContact O-C 3.29Å; I361-I384 VanDerWaalsContact O-CA 3.28Å; I361-I384 WeakPolarHBondContact O-CA 3.25Å; A364-I384 HydrophobicContact CB-CG2 3.92Å; L369-I384 HydrophobicContact CD2-CD1 3.8Å; A372-I384 HydrophobicContact CB-CD1 3.51Å; A372-I384 HydrophobicContact CB-CG1 4Å; I384-L561 HydrophobicContact CD1-CD1 4.15Å; I384-N562 PolarHBondContact N-O 3.04Å; I384-I563 HydrophobicContact CB-CG1 4.27Å; I384-I563 HydrophobicContact CB-CG2 4.29Å; I384-I563 HydrophobicContact CD1-CD1 4.29Å; I384-I563 HydrophobicContact CD1-CG1 4.06Å; I384-I563 HydrophobicContact CG1-CG1 4.35Å; I384-K564 PolarHBondContact O-N 3.04Å
385	L	98.8	Very high	97.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121	168.4	-54.9	-175.6	0	0	0	109.1	L360 I361 G363 M383 K564 H567 V569 V581 V583 F589	L360-L385 HydrophobicContact CD1-CD1 4.15Å; L360-L385 HydrophobicContact CD1-CD2 4.32Å; L360-L385 HydrophobicContact CD1-CG 3.9Å; L360-L385 HydrophobicContact CD2-CD1 3.85Å; L360-L385 HydrophobicContact CD2-CG 4.42Å; L360-L385 HydrophobicContact CG-CD1 4.26Å; L360-L385 HydrophobicContact CG-CG 4.29Å; I361-L385 PolarHBondContact O-N 3.21Å; G363-L385 PolarHBondContact N-O 3.45Å; M383-L385 HydrophobicContact CG-CD2 4.43Å; M383-L385 HydrophobicContact SD-CD2 4.18Å; L385-K564 HydrophobicContact CD2-CB 3.79Å; L385-K564 HydrophobicContact CD2-CG 4.01Å; L385-H567 HydrophobicContact CB-CB 4.36Å; L385-H567 HydrophobicContact CD2-CB 4.28Å; L385-V569 HydrophobicContact CB-CG2 4.15Å; L385-V569 HydrophobicContact CD1-CG2 3.8Å; L385-V581 HydrophobicContact CD1-CG1 4.03Å; L385-V583 HydrophobicContact CD1-CG1 3.93Å; L385-F589 HydrophobicContact CD1-CD2 3.79Å; L385-F589 HydrophobicContact CD1-CE2 4.19Å; L385-F589 HydrophobicContact CD1-CG 4.16Å; L385-F589 HydrophobicContact CD2-CD1 4.31Å; L385-F589 HydrophobicContact CD2-CD2 4.26Å; L385-F589 HydrophobicContact CD2-CE1 4.1Å; L385-F589 HydrophobicContact CD2-CE2 4.05Å; L385-F589 HydrophobicContact CD2-CG 4.39Å; L385-F589 HydrophobicContact CD2-CZ 3.95Å
386	E	98.6	Very high	97.1	Very high	14 Å²	14	33.6 Å²	33.6	7%	0.065	19%	0.188	C	C	.	.			trans	-117.5	132.2	178.9	174.2	48.5	-120.1	0	0	109.6	A364 K388 E390 K564 L565 K566 H567	A364-E386 HydrophobicContact CB-CB 3.82Å; A364-E386 HydrophobicContact CB-CG 3.98Å; A364-E386 PolarHBondContact N-OE2 3.2Å; E386-K388 HydrophobicContact CG-CB 4.39Å; E386-K388 WeakPolarHBondContact OE1-CB 3.22Å; E386-K388 PolarHBondContact OE1-N 3.11Å; E386-E390 WeakPolarHBondContact CG-O 3.4Å; E386-K564 PolarHBondContact N-O 2.87Å; E386-L565 HydrophobicContact CB-CD2 3.91Å; E386-L565 HydrophobicContact CG-CD2 3.87Å; E386-L565 CarbonylContact O-C 3.55Å; E386-K566 PolarHBondContact O-N 2.92Å; E386-H567 PolarHBondContact O-N 2.66Å
387	S	98.2	Very high	97.1	Very high	30 Å²	30	31.4 Å²	31.4	21%	0.21	18%	0.178	C	C	.	.	S	Bend	trans	-70.5	-40.9	-178.5	-170.2	0	0	0	0	111.3	K566 R568 D739	S387-K566 WeakPolarHBondContact O-CA 3.43Å; S387-R568 VanDerWaalsContact OG-CB 3.32Å; S387-R568 WeakPolarHBondContact OG-CB 3.4Å; S387-R568 WeakPolarHBondContact OG-CG 3.46Å; S387-R568 PolarHBondContact OG-NE 3.05Å; S387-R568 VanDerWaalsContact OG-NE 3.09Å; S387-D739 WeakPolarHBondContact CB-OD1 3.3Å; S387-D739 PolarHBondContact OG-OD1 3.31Å
388	K	97.4	Very high	97	Very high	39 Å²	39	32.3 Å²	32.3	17%	0.17	18%	0.184	C	C	.	.	S	Bend	trans	-75.6	167.6	-178.2	-59.8	-175	70.7	69.1	0	112.3	E386 E390 K566 D737 D739 I740	E386-K388 HydrophobicContact CG-CB 4.39Å; E386-K388 WeakPolarHBondContact OE1-CB 3.22Å; E386-K388 PolarHBondContact OE1-N 3.11Å; K388-E390 HydrophobicContact CB-CG 4.47Å; K388-E390 PolarHBondContact O-N 3.16Å; K388-K566 PolarHBondContact O-N 2.89Å; K388-D737 IonicContact NZ-OD1 3.35Å; K388-D737 IonicContact NZ-OD2 3.24Å; K388-D737 PolarHBondContact NZ-OD2 3.46Å; K388-D739 HydrophobicContact CD-CB 4.33Å; K388-D739 HydrophobicContact CG-CB 3.97Å; K388-I740 HydrophobicContact CD-CD1 4.36Å
389	G	97.2	Very high	96.7	Very high	47 Å²	47	38 Å²	38	49%	0.485	21%	0.21	S	C	.	.	S	Bend	trans	-79.1	5.5	171.7	0	0	0	0	0	114.6
390	E	96.5	Very high	96.5	Very high	103 Å²	103	41.1 Å²	41.1	48%	0.481	22%	0.218	S	C	.	.	S	Bend	trans	-149.3	159.7	-175.5	64.6	-172.9	167.1	0	0	110.3	E386 K388	E386-E390 WeakPolarHBondContact CG-O 3.4Å; K388-E390 HydrophobicContact CB-CG 4.47Å; K388-E390 PolarHBondContact O-N 3.16Å
391	I	98.1	Very high	96.1	Very high	39 Å²	39	40.7 Å²	40.7	20%	0.2	22%	0.215	C	C	.	.	S	Bend	trans	-91.7	175.4	176.5	60.8	175.3	0	0	0	111.6	A364 I554 A558 I563 L565	A364-I391 HydrophobicContact CB-CB 4.12Å; A364-I391 HydrophobicContact CB-CG2 3.79Å; I391-I554 HydrophobicContact CB-CG2 4.36Å; I391-I554 HydrophobicContact CD1-CG2 3.7Å; I391-I554 HydrophobicContact CG1-CG2 3.78Å; I391-A558 HydrophobicContact CD1-CB 3.46Å; I391-A558 VanDerWaalsContact CD1-CB 3.46Å; I391-I563 HydrophobicContact CG2-CD1 4.16Å; I391-I563 HydrophobicContact CG2-CG2 4.11Å; I391-L565 HydrophobicContact CG2-CD2 3.81Å
392	G	97	Very high	95.5	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.031	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	101.4	-30.3	171	0	0	0	0	0	114.5	A364 R394 I395	A364-G392 PolarHBondContact O-N 3.02Å; G392-R394 PolarHBondContact O-N 3.02Å; G392-R394 VanDerWaalsContact O-N 3.16Å; G392-I395 CarbonylContact C-O 3.57Å; G392-I395 PolarHBondContact O-N 3.05Å; G392-I395 VanDerWaalsContact O-N 3.11Å
393	G	96.6	Very high	95.1	Very high	20 Å²	20	37 Å²	37	21%	0.206	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-113.5	179.3	0	0	0	0	0	111.5	I395 W734	G393-I395 PolarHBondContact O-N 3.07Å; G393-W734 WeakPolarHBondContact O-CH2 3.39Å
394	R	96.8	Very high	94.8	Very high	85 Å²	85	35.9 Å²	35.9	32%	0.321	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	9.7	177.4	-70.9	171.9	-75.9	167.5	-1.7	114	G392 G408 G409 I740 A743	G392-R394 PolarHBondContact O-N 3.02Å; G392-R394 VanDerWaalsContact O-N 3.16Å; R394-G408 VanDerWaalsContact O-CA 3.26Å; R394-G408 WeakPolarHBondContact O-CA 3.32Å; R394-G409 PolarHBondContact O-N 3.29Å; R394-I740 HydrophobicContact CG-CD1 4.34Å; R394-I740 HydrophobicContact CG-CG2 3.65Å; R394-A743 WeakPolarHBondContact CD-O 3.32Å; R394-A743 PolarHBondContact NH1-O 3.27Å
395	I	96.9	Very high	94.6	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.036	21%	0.206	C	C	.	.			trans	-110.2	110.2	163.4	-68.8	171.8	0	0	0	106.4	I366 G392 G393 C550 I554 F776	I366-I395 HydrophobicContact CB-CD1 4.1Å; I366-I395 HydrophobicContact CD1-CD1 4.02Å; I366-I395 HydrophobicContact CG2-CD1 4.41Å; G392-I395 CarbonylContact C-O 3.57Å; G392-I395 PolarHBondContact O-N 3.05Å; G392-I395 VanDerWaalsContact O-N 3.11Å; G393-I395 PolarHBondContact O-N 3.07Å; I395-C550 HydrophobicContact CB-CB 4.47Å; I395-C550 HydrophobicContact CD1-CB 4.34Å; I395-C550 HydrophobicContact CG1-CB 4.35Å; I395-C550 HydrophobicContact CG2-CB 3.37Å; I395-I554 HydrophobicContact CB-CD1 4.38Å; I395-I554 HydrophobicContact CB-CG1 4.09Å; I395-I554 HydrophobicContact CD1-CD1 3.81Å; I395-I554 HydrophobicContact CD1-CG1 4.15Å; I395-I554 HydrophobicContact CG2-CD1 4.44Å; I395-I554 HydrophobicContact CG2-CG1 3.67Å; I395-F776 HydrophobicContact CD1-CB 4Å
396	C	96	Very high	94.4	Very high	22 Å²	22	35.8 Å²	35.8	15%	0.149	21%	0.206	C	C	.	.			trans	-147.8	113.8	-179	177.2	0	0	0	0	107.7	G406 K407 W734	C396-G406 CarbonylContact O-C 3.45Å; C396-K407 HydrophobicContact CB-CB 4.44Å; C396-K407 WeakPolarHBondContact O-CB 3.44Å; C396-K407 PolarHBondContact O-N 2.93Å; C396-W734 HydrophobicContact CB-CH2 3.8Å; C396-W734 HydrophobicContact CB-CZ2 4.22Å
397	D	95.3	Very high	94.2	Very high	20 Å²	20	38.6 Å²	38.6	11%	0.107	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	155.2	-179.6	-63.3	-21.1	0	0	0	111.3	V404 V405 G406 G549 C550 S551	D397-V404 HydrophobicContact CB-CG1 3.81Å; D397-V405 CarbonylContact C-O 3.55Å; D397-V405 WeakPolarHBondContact CA-O 3.35Å; D397-G406 VanDerWaalsContact OD1-CA 3.31Å; D397-G406 WeakPolarHBondContact OD1-CA 3.26Å; D397-G549 WeakPolarHBondContact OD2-CA 3.29Å; D397-C550 PolarHBondContact OD2-N 3.44Å; D397-S551 PolarHBondContact N-OG 2.82Å; D397-S551 WeakPolarHBondContact OD2-CB 3.28Å; D397-S551 PolarHBondContact OD2-N 2.74Å; D397-S551 PolarHBondContact OD2-OG 3.34Å
398	T	93.1	Very high	94	Very high	25 Å²	25	37.7 Å²	37.7	15%	0.153	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.2	170.6	-163.5	0	0	0	0	111	H400 V405 M730	T398-H400 PolarHBondContact OG1-CE1 2.8Å; T398-H400 PolarHBondContact OG1-ND1 2.99Å; T398-V405 HydrophobicContact CG2-CB 3.97Å; T398-V405 HydrophobicContact CG2-CG1 4.5Å; T398-V405 WeakPolarHBondContact CG2-O 3.43Å; T398-V405 PolarHBondContact N-O 2.95Å; T398-V405 PolarHBondContact O-N 2.77Å; T398-M730 HydrophobicContact CG2-CG 4.46Å
399	H	90.8	Very high	93.6	Very high	121 Å²	121	37 Å²	37	56%	0.56	22%	0.217	S	C	*	.			trans	-116.5	1.8	-170.3	-63.3	-86.9	0	0	0	113.7	M401	H399-M401 PolarHBondContact O-N 2.84Å
400	H	89.8	Confident	93.5	Very high	88 Å²	88	34.9 Å²	34.9	41%	0.407	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-5.2	-172.3	68.4	-87.2	0	0	0	114.4	T398	T398-H400 PolarHBondContact OG1-CE1 2.8Å; T398-H400 PolarHBondContact OG1-ND1 2.99Å
401	M	89.1	Confident	93.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	19.9	-176.9	-64.5	-176.2	167.1	0	0	114.2	H399 T403 V405 A634 Q636 V685 N728 M730	H399-M401 PolarHBondContact O-N 2.84Å; M401-T403 PolarHBondContact O-N 3.35Å; M401-V405 HydrophobicContact CB-CG2 4.24Å; M401-V405 HydrophobicContact SD-CB 4.45Å; M401-V405 HydrophobicContact SD-CG2 3.85Å; M401-A634 HydrophobicContact CE-CB 4.11Å; M401-A634 HydrophobicContact SD-CB 3.98Å; M401-Q636 HydrophobicContact CB-CB 4.17Å; M401-Q636 HydrophobicContact CB-CG 4.27Å; M401-Q636 HydrophobicContact CG-CB 4.2Å; M401-Q636 PolarHBondContact O-NE2 2.74Å; M401-Q636 HydrophobicContact SD-CB 4.42Å; M401-V685 HydrophobicContact CB-CG2 3.96Å; M401-V685 HydrophobicContact SD-CG1 4.29Å; M401-V685 HydrophobicContact SD-CG2 4.44Å; M401-N728 HydrophobicContact CE-CB 4.31Å; M401-N728 HydrophobicContact CG-CB 4.24Å; M401-M730 HydrophobicContact CE-CB 3.58Å; M401-M730 VanDerWaalsContact CE-N 3.25Å
402	G	84.1	Confident	93.3	Very high	47 Å²	47	29 Å²	29	49%	0.485	17%	0.167	S	C	.	.	S	Bend	trans	68.8	0.4	-177.9	0	0	0	0	0	115.1	S683	G402-S683 WeakPolarHBondContact O-CB 3.34Å; G402-S683 PolarHBondContact O-OG 3.48Å
403	T	89.3	Confident	93.2	Very high	22 Å²	22	31.3 Å²	31.3	14%	0.135	18%	0.18	C	C	.	.	S	Bend	trans	-147.9	167.3	170.6	-172.5	0	0	0	0	108.6	M401 V405 F671 V685	M401-T403 PolarHBondContact O-N 3.35Å; T403-V405 HydrophobicContact CG2-CG2 4.17Å; T403-F671 PolarHBondContact OG1-O 3.06Å; T403-V685 HydrophobicContact CG2-CB 3.99Å; T403-V685 HydrophobicContact CG2-CG2 3.49Å; T403-V685 VanDerWaalsContact CG2-CG2 3.49Å
404	V	92.5	Very high	93.1	Very high	20 Å²	20	30.4 Å²	30.4	12%	0.121	17%	0.17	C	C	.	.			trans	-81.7	122.5	180	-169.5	0	0	0	0	110.9	D397 Q410	D397-V404 HydrophobicContact CB-CG1 3.81Å; V404-Q410 PolarHBondContact O-NE2 3.26Å
405	V	94	Very high	93.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113.8	-179.6	-178.8	0	0	0	0	110.1	D397 T398 M401 T403 A634 V685 M687 M730	D397-V405 CarbonylContact C-O 3.55Å; D397-V405 WeakPolarHBondContact CA-O 3.35Å; T398-V405 HydrophobicContact CG2-CB 3.97Å; T398-V405 HydrophobicContact CG2-CG1 4.5Å; T398-V405 WeakPolarHBondContact CG2-O 3.43Å; T398-V405 PolarHBondContact N-O 2.95Å; T398-V405 PolarHBondContact O-N 2.77Å; M401-V405 HydrophobicContact CB-CG2 4.24Å; M401-V405 HydrophobicContact SD-CB 4.45Å; M401-V405 HydrophobicContact SD-CG2 3.85Å; T403-V405 HydrophobicContact CG2-CG2 4.17Å; V405-A634 HydrophobicContact CG1-CB 3.81Å; V405-V685 HydrophobicContact CG2-CG1 3.99Å; V405-M687 HydrophobicContact CG1-CE 3.26Å; V405-M730 HydrophobicContact CG1-CE 3.76Å
406	G	94.5	Very high	93.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.1	177.7	0	0	0	0	0	111.5	C396 D397 G408 Q410 K632	C396-G406 CarbonylContact O-C 3.45Å; D397-G406 VanDerWaalsContact OD1-CA 3.31Å; D397-G406 WeakPolarHBondContact OD1-CA 3.26Å; G406-G408 PolarHBondContact O-N 3.41Å; G406-Q410 VanDerWaalsContact CA-OE1 3.32Å; G406-K632 PolarHBondContact O-NZ 2.84Å
407	K	94.4	Very high	93.1	Very high	73 Å²	73	25.8 Å²	25.8	32%	0.317	15%	0.151	S	C	.	.	S	Bend	trans	-59.6	-32.4	169.5	-58.2	-169.7	177.2	177.6	0	111	C396 K632 M730 W734	C396-K407 HydrophobicContact CB-CB 4.44Å; C396-K407 WeakPolarHBondContact O-CB 3.44Å; C396-K407 PolarHBondContact O-N 2.93Å; K407-K632 WeakPolarHBondContact O-CE 3.42Å; K407-M730 HydrophobicContact CB-SD 4.4Å; K407-M730 HydrophobicContact CD-SD 4.34Å; K407-M730 HydrophobicContact CG-CE 4.26Å; K407-M730 HydrophobicContact CG-CG 4.28Å; K407-M730 HydrophobicContact CG-SD 3.77Å; K407-W734 HydrophobicContact CB-CZ2 3.87Å; K407-W734 PolarHBondContact O-NE1 3.26Å
408	G	93.6	Very high	93.3	Very high	10 Å²	10	24.9 Å²	24.9	10%	0.103	15%	0.146	C	C	.	.	S	Bend	trans	-108.4	-133.9	-177.6	0	0	0	0	0	113.4	R394 G406 Q410 K632	R394-G408 VanDerWaalsContact O-CA 3.26Å; R394-G408 WeakPolarHBondContact O-CA 3.32Å; G406-G408 PolarHBondContact O-N 3.41Å; G408-Q410 PolarHBondContact O-N 3.38Å; G408-K632 WeakPolarHBondContact O-CE 3.17Å; G408-K632 PolarHBondContact O-NZ 3.08Å
409	G	90.2	Very high	93.5	Very high	25 Å²	25	23.8 Å²	23.8	26%	0.258	14%	0.139	S	C	.	.			trans	-69.1	129.1	178.7	0	0	0	0	0	113.6	R394 C550	R394-G409 PolarHBondContact O-N 3.29Å; G409-C550 PolarHBondContact O-SG 3.43Å
410	Q	95.1	Very high	93.8	Very high	3 Å²	3	18 Å²	18	1%	0.014	11%	0.113	C	C	.	.			trans	-141.7	-2.4	173.8	-156.6	174.6	1.3	0	0	114.4	V404 G406 G408 L545 M546	V404-Q410 PolarHBondContact O-NE2 3.26Å; G406-Q410 VanDerWaalsContact CA-OE1 3.32Å; G408-Q410 PolarHBondContact O-N 3.38Å; Q410-L545 HydrophobicContact CB-CD1 4.44Å; Q410-L545 HydrophobicContact CG-CD1 3.98Å; Q410-M546 HydrophobicContact CG-CB 3.96Å; Q410-M546 PolarHBondContact NE2-O 2.93Å; Q410-M546 PolarHBondContact O-N 3.49Å
411	L	94.8	Very high	94.2	Very high	18 Å²	18	13.8 Å²	13.8	9%	0.094	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124	179.9	-67	172.3	0	0	0	110.5	M1 L434 A544 L545 Y669 Y689 F776	M1-L411 HydrophobicContact CE-CD1 3.77Å; L411-L434 HydrophobicContact CD2-CD1 3.84Å; L411-A544 CarbonylContact C-O 3.08Å; L411-A544 WeakPolarHBondContact CA-O 3.38Å; L411-L545 HydrophobicContact CD2-CB 4.34Å; L411-L545 HydrophobicContact CD2-CD1 3.96Å; L411-Y669 HydrophobicContact CD1-CE1 4.13Å; L411-Y689 HydrophobicContact CD1-CE2 4.42Å; L411-Y689 WeakPolarHBondContact CD1-OH 3.5Å; L411-F776 WeakPolarHBondContact O-CE1 3.42Å; L411-F776 WeakPolarHBondContact O-CZ 3.05Å
412	I	96	Very high	94.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.4	170.6	-54.9	168.7	0	0	0	108.5	G414 I415 N418 F420 Y431 H543 A544 M546 F776	I412-G414 PolarHBondContact O-N 3.04Å; I412-I415 HydrophobicContact CG2-CG2 4.04Å; I412-N418 WeakPolarHBondContact CG2-ND2 3.35Å; I412-F420 HydrophobicContact CD1-CD1 3.94Å; I412-F420 HydrophobicContact CD1-CE1 4.4Å; I412-F420 HydrophobicContact CG1-CD1 3.97Å; I412-F420 HydrophobicContact CG1-CE1 4.41Å; I412-Y431 HydrophobicContact CD1-CD1 4.5Å; I412-Y431 HydrophobicContact CD1-CG 4.27Å; I412-H543 CarbonylContact O-C 3.57Å; I412-H543 WeakPolarHBondContact O-CA 3.4Å; I412-A544 HydrophobicContact CB-CB 4.27Å; I412-A544 HydrophobicContact CD1-CB 4.32Å; I412-A544 PolarHBondContact N-O 3.24Å; I412-A544 PolarHBondContact O-N 3.44Å; I412-M546 HydrophobicContact CD1-CG 3.95Å; I412-M546 HydrophobicContact CD1-SD 3.44Å; I412-M546 WeakPolarHBondContact CD1-SD 3.41Å; I412-M546 HydrophobicContact CG1-CG 3.95Å; I412-M546 HydrophobicContact CG1-SD 4.13Å; I412-F776 HydrophobicContact CB-CZ 4.37Å; I412-F776 HydrophobicContact CG1-CE2 4.27Å; I412-F776 HydrophobicContact CG1-CZ 3.87Å
413	T	93.9	Very high	95.2	Very high	52 Å²	52	11.7 Å²	11.7	32%	0.319	7%	0.071	S	C	.	.	S	Bend	trans	-86.3	87.3	178.6	54.3	0	0	0	0	111.2	F539 H543	T413-F539 WeakPolarHBondContact O-CB 3.35Å; T413-H543 WeakPolarHBondContact CA-ND1 3.32Å
414	G	95.3	Very high	95.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.			trans	85.7	112.5	178.8	0	0	0	0	0	110.1	I412 N418 A540 R542 H543	I412-G414 PolarHBondContact O-N 3.04Å; G414-N418 VanDerWaalsContact O-CB 3.25Å; G414-N418 WeakPolarHBondContact O-CB 3.46Å; G414-N418 PolarHBondContact O-ND2 3.2Å; G414-A540 CarbonylContact C-O 3.56Å; G414-A540 WeakPolarHBondContact CA-O 3.45Å; G414-R542 WeakPolarHBondContact CA-O 3.44Å; G414-H543 PolarHBondContact N-ND1 3.21Å
415	I	96.5	Very high	95.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.061	C	C	.	.			trans	-85.8	-21	-175	58.6	175.7	0	0	0	113.7	E243 V244 I412 N417 N418 A421 Y431 A540 R542 A544	E243-I415 VanDerWaalsContact CD-CD1 3.41Å; E243-I415 HydrophobicContact CG-CD1 3.69Å; E243-I415 WeakPolarHBondContact OE1-CD1 3.38Å; V244-I415 HydrophobicContact CG2-CB 4.39Å; I412-I415 HydrophobicContact CG2-CG2 4.04Å; I415-N417 PolarHBondContact O-N 2.61Å; I415-N418 WeakPolarHBondContact O-CB 3.33Å; I415-N418 PolarHBondContact O-N 2.91Å; I415-N418 VanDerWaalsContact O-N 3.12Å; I415-A421 HydrophobicContact CB-CB 4.41Å; I415-Y431 HydrophobicContact CG2-CE2 4.18Å; I415-A540 PolarHBondContact N-O 3.09Å; I415-A540 VanDerWaalsContact N-O 3.13Å; I415-R542 HydrophobicContact CD1-CB 4.35Å; I415-R542 WeakPolarHBondContact CG2-O 3.47Å; I415-R542 PolarHBondContact N-O 2.67Å; I415-A544 HydrophobicContact CG2-CB 3.95Å
416	V	96.7	Very high	95.9	Very high	7 Å²	7	11.2 Å²	11.2	4%	0.042	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-67.3	123.9	-177.2	175.5	0	0	0	0	109.6	E243 V244 Q246 N418 A540	E243-V416 WeakPolarHBondContact O-CG2 3.26Å; V244-V416 CarbonylContact O-C 3.45Å; V244-V416 WeakPolarHBondContact O-CA 3.31Å; Q246-V416 HydrophobicContact CB-CG1 3.88Å; Q246-V416 HydrophobicContact CG-CG1 4.12Å; V416-N418 PolarHBondContact O-N 2.9Å; V416-N418 VanDerWaalsContact O-N 3.11Å; V416-A540 HydrophobicContact CB-CB 4.2Å; V416-A540 WeakPolarHBondContact CB-O 3.41Å; V416-A540 PolarHBondContact N-O 3.11Å
417	N	97	Very high	96	Very high	11 Å²	11	12 Å²	12	6%	0.059	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	16.8	-173.4	-56.3	-32.4	0	0	0	114.3	V244 Q246 A257 L258 S259 I415 P419	V244-N417 WeakPolarHBondContact O-CA 3.35Å; V244-N417 PolarHBondContact O-N 2.76Å; Q246-N417 WeakPolarHBondContact CA-OD1 3.28Å; Q246-N417 PolarHBondContact N-OD1 3.24Å; Q246-N417 PolarHBondContact O-ND2 3.3Å; Q246-N417 PolarHBondContact O-OD1 3.16Å; A257-N417 WeakPolarHBondContact O-CB 3.38Å; A257-N417 PolarHBondContact O-ND2 3.04Å; L258-N417 HydrophobicContact CB-CB 4.1Å; S259-N417 PolarHBondContact OG-ND2 2.94Å; I415-N417 PolarHBondContact O-N 2.61Å; N417-P419 VanDerWaalsContact O-CD 3.32Å; N417-P419 WeakPolarHBondContact O-CD 3.46Å
418	N	97.6	Very high	96.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	9%	0.087	C	C	.	.			trans	-74.8	117.1	-176.2	-170.9	-46.7	0	0	0	110.1	I412 G414 I415 V416 F420 A421 V422 F539 T777	I412-N418 WeakPolarHBondContact CG2-ND2 3.35Å; G414-N418 VanDerWaalsContact O-CB 3.25Å; G414-N418 WeakPolarHBondContact O-CB 3.46Å; G414-N418 PolarHBondContact O-ND2 3.2Å; I415-N418 WeakPolarHBondContact O-CB 3.33Å; I415-N418 PolarHBondContact O-N 2.91Å; I415-N418 VanDerWaalsContact O-N 3.12Å; V416-N418 PolarHBondContact O-N 2.9Å; V416-N418 VanDerWaalsContact O-N 3.11Å; N418-F420 PolarHBondContact O-N 3.47Å; N418-F420 VanDerWaalsContact O-N 3.11Å; N418-F420 VanDerWaalsContact OD1-CB 3.26Å; N418-F420 WeakPolarHBondContact OD1-CB 3.45Å; N418-F420 PolarHBondContact OD1-N 3.29Å; N418-A421 HydrophobicContact CB-CB 4.1Å; N418-A421 WeakPolarHBondContact O-CA 3.47Å; N418-A421 WeakPolarHBondContact O-CB 3.32Å; N418-A421 PolarHBondContact O-N 3.49Å; N418-V422 PolarHBondContact O-N 3.09Å; N418-F539 HydrophobicContact CB-CD1 4.1Å; N418-F539 HydrophobicContact CB-CE1 4.39Å; N418-T777 PolarHBondContact ND2-OG1 3.49Å; N418-T777 VanDerWaalsContact OD1-CG2 3.28Å; N418-T777 WeakPolarHBondContact OD1-CG2 2.99Å; N418-T777 PolarHBondContact OD1-OG1 3.2Å
419	P	97.4	Very high	96.1	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.013	9%	0.087	C	C	.	.	H	α-helix	trans	-62.6	-23.8	-176.4	24.2	-34.4	0	0	0	113	L258 F340 N417 M423 T777 L780 V781	L258-P419 HydrophobicContact CD1-CG 4.39Å; F340-P419 HydrophobicContact CD2-CB 4.35Å; F340-P419 HydrophobicContact CE2-CB 3.48Å; F340-P419 VanDerWaalsContact CE2-CB 3.48Å; F340-P419 HydrophobicContact CZ-CB 3.85Å; N417-P419 VanDerWaalsContact O-CD 3.32Å; N417-P419 WeakPolarHBondContact O-CD 3.46Å; P419-M423 WeakPolarHBondContact O-CG 3.39Å; P419-M423 PolarHBondContact O-N 3.43Å; P419-T777 HydrophobicContact CG-CG2 3.86Å; P419-L780 HydrophobicContact CB-CD1 4.02Å; P419-L780 HydrophobicContact CB-CD2 3.71Å; P419-L780 HydrophobicContact CG-CD1 4.14Å; P419-L780 HydrophobicContact CG-CD2 3.76Å; P419-V781 HydrophobicContact CG-CG2 3.8Å
420	F	97.5	Very high	96.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.4	-40.5	172.7	-164	-86	0	0	0	111.9	I366 I412 N418 V422 M423 C424 M546 C550 I553 F776 L780	I366-F420 HydrophobicContact CD1-CD2 3.72Å; I366-F420 HydrophobicContact CD1-CE2 3.73Å; I412-F420 HydrophobicContact CD1-CD1 3.94Å; I412-F420 HydrophobicContact CD1-CE1 4.4Å; I412-F420 HydrophobicContact CG1-CD1 3.97Å; I412-F420 HydrophobicContact CG1-CE1 4.41Å; N418-F420 PolarHBondContact O-N 3.47Å; N418-F420 VanDerWaalsContact O-N 3.11Å; N418-F420 VanDerWaalsContact OD1-CB 3.26Å; N418-F420 WeakPolarHBondContact OD1-CB 3.45Å; N418-F420 PolarHBondContact OD1-N 3.29Å; F420-V422 VanDerWaalsContact C-N 3.33Å; F420-M423 HydrophobicContact CD2-CE 3.89Å; F420-M423 HydrophobicContact CE2-CE 4.45Å; F420-M423 HydrophobicContact CG-CE 4.46Å; F420-M423 PolarHBondContact O-N 3.46Å; F420-C424 PolarHBondContact O-N 2.94Å; F420-C424 PolarHBondContact O-SG 3.04Å; F420-M546 HydrophobicContact CD1-SD 4.36Å; F420-M546 HydrophobicContact CE1-CE 3.89Å; F420-M546 HydrophobicContact CE1-CG 3.76Å; F420-M546 HydrophobicContact CE1-SD 3.72Å; F420-C550 HydrophobicContact CZ-CB 4.16Å; F420-I553 HydrophobicContact CE1-CG1 4.31Å; F420-I553 HydrophobicContact CE2-CB 4.21Å; F420-I553 HydrophobicContact CE2-CG1 4.31Å; F420-I553 HydrophobicContact CE2-CG2 3.89Å; F420-I553 HydrophobicContact CZ-CB 4.12Å; F420-I553 HydrophobicContact CZ-CG1 3.86Å; F420-I553 HydrophobicContact CZ-CG2 4.29Å; F420-F776 HydrophobicContact CB-CD2 4.18Å; F420-F776 HydrophobicContact CB-CE2 3.81Å; F420-F776 HydrophobicContact CD1-CD2 4.38Å; F420-F776 AromaticContact CD1-CE2 3.65Å; F420-F776 HydrophobicContact CD1-CE2 3.65Å; F420-F776 HydrophobicContact CD1-CZ 4.29Å; F420-F776 AromaticContact CD2-CD2 3.5Å; F420-F776 HydrophobicContact CD2-CD2 3.5Å; F420-F776 VanDerWaalsContact CD2-CD2 3.5Å; F420-F776 AromaticContact CD2-CE2 3.63Å; F420-F776 HydrophobicContact CD2-CE2 3.63Å; F420-F776 HydrophobicContact CE1-CE2 4.09Å; F420-F776 HydrophobicContact CE1-CZ 4.44Å; F420-F776 AromaticContact CE2-CD2 3.9Å; F420-F776 HydrophobicContact CE2-CD2 3.9Å; F420-F776 HydrophobicContact CE2-CE2 4.07Å; F420-F776 AromaticContact CG-CD2 3.76Å; F420-F776 HydrophobicContact CG-CD2 3.76Å; F420-F776 AromaticContact CG-CE2 3.4Å; F420-F776 HydrophobicContact CG-CE2 3.4Å; F420-F776 HydrophobicContact CG-CZ 4.43Å; F420-F776 HydrophobicContact CZ-CD2 4.5Å; F420-F776 HydrophobicContact CZ-CE2 4.28Å; F420-L780 HydrophobicContact CB-CD1 4.42Å
421	A	97.6	Very high	96.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-39.4	173.4	0	0	0	0	0	111.3	V244 I415 N418 M423 C424 I425	V244-A421 HydrophobicContact CG1-CB 3.97Å; V244-A421 HydrophobicContact CG2-CB 4.07Å; I415-A421 HydrophobicContact CB-CB 4.41Å; N418-A421 HydrophobicContact CB-CB 4.1Å; N418-A421 WeakPolarHBondContact O-CA 3.47Å; N418-A421 WeakPolarHBondContact O-CB 3.32Å; N418-A421 PolarHBondContact O-N 3.49Å; A421-M423 VanDerWaalsContact C-N 3.32Å; A421-M423 PolarHBondContact O-N 3.17Å; A421-C424 WeakPolarHBondContact O-CB 3.34Å; A421-C424 PolarHBondContact O-N 3.26Å; A421-C424 VanDerWaalsContact O-N 3.1Å; A421-I425 PolarHBondContact O-N 3.19Å; A421-I425 VanDerWaalsContact O-N 3.07Å
422	V	97.6	Very high	96.2	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-57.4	-44.7	172.2	178.1	0	0	0	0	111.4	V244 M245 W294 P298 F340 N418 F420 C424 I425 Q426	V244-V422 HydrophobicContact CG1-CG2 4.1Å; M245-V422 HydrophobicContact CE-CG2 4.49Å; M245-V422 HydrophobicContact SD-CG2 3.57Å; M245-V422 VanDerWaalsContact SD-CG2 3.57Å; W294-V422 HydrophobicContact CZ2-CG1 4.23Å; P298-V422 HydrophobicContact CB-CG1 3.76Å; P298-V422 HydrophobicContact CG-CG1 4.24Å; F340-V422 HydrophobicContact CE2-CB 4.18Å; F340-V422 HydrophobicContact CE2-CG1 4.08Å; F340-V422 HydrophobicContact CZ-CB 4.16Å; F340-V422 HydrophobicContact CZ-CG1 4Å; F340-V422 HydrophobicContact CZ-CG2 4.3Å; N418-V422 PolarHBondContact O-N 3.09Å; F420-V422 VanDerWaalsContact C-N 3.33Å; V422-C424 VanDerWaalsContact C-N 3.32Å; V422-C424 PolarHBondContact O-N 3.49Å; V422-I425 PolarHBondContact O-N 3.49Å; V422-Q426 WeakPolarHBondContact O-CG 3.22Å; V422-Q426 PolarHBondContact O-N 3.28Å
423	M	97.9	Very high	96.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-67	-30.4	176.2	-70.1	-169.5	-54.3	0	0	113.5	I342 P419 F420 A421 Q426 A427 I553 L557 L780	I342-M423 HydrophobicContact CD1-CB 4.16Å; I342-M423 HydrophobicContact CG1-CG 4.46Å; I342-M423 HydrophobicContact CG1-SD 4.32Å; P419-M423 WeakPolarHBondContact O-CG 3.39Å; P419-M423 PolarHBondContact O-N 3.43Å; F420-M423 HydrophobicContact CD2-CE 3.89Å; F420-M423 HydrophobicContact CE2-CE 4.45Å; F420-M423 HydrophobicContact CG-CE 4.46Å; F420-M423 PolarHBondContact O-N 3.46Å; A421-M423 VanDerWaalsContact C-N 3.32Å; A421-M423 PolarHBondContact O-N 3.17Å; M423-Q426 PolarHBondContact O-N 3.45Å; M423-A427 VanDerWaalsContact O-CB 3.24Å; M423-A427 WeakPolarHBondContact O-CB 3.25Å; M423-A427 PolarHBondContact O-N 2.97Å; M423-I553 HydrophobicContact CB-CD1 3.98Å; M423-I553 HydrophobicContact CE-CG2 3.55Å; M423-I553 HydrophobicContact SD-CG2 4.25Å; M423-L557 HydrophobicContact CE-CD1 4.31Å; M423-L557 HydrophobicContact SD-CD1 4.13Å; M423-L557 HydrophobicContact SD-CD2 3.95Å; M423-L557 HydrophobicContact SD-CG 4.28Å; M423-L780 HydrophobicContact CE-CD1 3.24Å; M423-L780 HydrophobicContact CE-CG 4.36Å; M423-L780 HydrophobicContact SD-CD1 4.22Å
424	C	97.1	Very high	96	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-46.5	172.2	-62.7	0	0	0	0	110.6	F420 A421 V422 Q426 A427 G428 L429 Y431 M546	F420-C424 PolarHBondContact O-N 2.94Å; F420-C424 PolarHBondContact O-SG 3.04Å; A421-C424 WeakPolarHBondContact O-CB 3.34Å; A421-C424 PolarHBondContact O-N 3.26Å; A421-C424 VanDerWaalsContact O-N 3.1Å; V422-C424 VanDerWaalsContact C-N 3.32Å; V422-C424 PolarHBondContact O-N 3.49Å; C424-Q426 PolarHBondContact O-N 3.35Å; C424-A427 CarbonylContact O-C 3.55Å; C424-A427 PolarHBondContact O-N 2.88Å; C424-G428 PolarHBondContact O-N 3.46Å; C424-L429 PolarHBondContact O-N 3.18Å; C424-Y431 HydrophobicContact CB-CD1 3.88Å; C424-Y431 HydrophobicContact CB-CE1 4.05Å; C424-M546 WeakPolarHBondContact SG-CE 3.45Å
425	I	96.5	Very high	95.8	Very high	10 Å²	10	21.5 Å²	21.5	5%	0.051	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-45.3	176	-68	158	0	0	0	110.9	E240 L241 V244 P298 K299 A421 V422 A427 G428	E240-I425 HydrophobicContact CG-CD1 4.34Å; E240-I425 HydrophobicContact CG-CG1 4.24Å; L241-I425 HydrophobicContact CD1-CD1 3.8Å; L241-I425 HydrophobicContact CD1-CG2 4.31Å; V244-I425 HydrophobicContact CB-CD1 4.02Å; V244-I425 HydrophobicContact CG1-CD1 4.11Å; V244-I425 HydrophobicContact CG2-CD1 3.95Å; P298-I425 HydrophobicContact CG-CG2 4.45Å; K299-I425 WeakPolarHBondContact CE-O 3.35Å; A421-I425 PolarHBondContact O-N 3.19Å; A421-I425 VanDerWaalsContact O-N 3.07Å; V422-I425 PolarHBondContact O-N 3.49Å; I425-A427 VanDerWaalsContact C-N 3.31Å; I425-A427 PolarHBondContact O-N 2.9Å; I425-G428 PolarHBondContact O-N 3.1Å
426	Q	97.3	Very high	95.4	Very high	22 Å²	22	26.4 Å²	26.4	10%	0.103	15%	0.15	C	C	.	.	H	α-helix	trans	-57	-44.6	176.1	-73.7	171.3	-19.5	0	0	112.2	W294 P298 F340 I342 V422 M423 C424 G428	W294-Q426 VanDerWaalsContact CH2-NE2 3.29Å; P298-Q426 VanDerWaalsContact O-CG 3.31Å; P298-Q426 WeakPolarHBondContact O-CG 3.26Å; P298-Q426 PolarHBondContact O-NE2 2.7Å; F340-Q426 PolarHBondContact O-NE2 3.01Å; I342-Q426 HydrophobicContact CB-CB 4.43Å; V422-Q426 WeakPolarHBondContact O-CG 3.22Å; V422-Q426 PolarHBondContact O-N 3.28Å; M423-Q426 PolarHBondContact O-N 3.45Å; C424-Q426 PolarHBondContact O-N 3.35Å; Q426-G428 VanDerWaalsContact C-N 3.34Å
427	A	96.3	Very high	95.1	Very high	15 Å²	15	28.9 Å²	28.9	12%	0.124	17%	0.172	C	C	.	.	H	α-helix	trans	-81	-10.3	-178.6	0	0	0	0	0	114.2	I342 M423 C424 I425 L429 I553	I342-A427 HydrophobicContact CD1-CB 4.03Å; M423-A427 VanDerWaalsContact O-CB 3.24Å; M423-A427 WeakPolarHBondContact O-CB 3.25Å; M423-A427 PolarHBondContact O-N 2.97Å; C424-A427 CarbonylContact O-C 3.55Å; C424-A427 PolarHBondContact O-N 2.88Å; I425-A427 VanDerWaalsContact C-N 3.31Å; I425-A427 PolarHBondContact O-N 2.9Å; A427-L429 VanDerWaalsContact C-N 3.3Å; A427-L429 HydrophobicContact CB-CD1 3.83Å; A427-L429 HydrophobicContact CB-CG 3.73Å; A427-I553 HydrophobicContact CB-CD1 4.14Å
428	G	95.5	Very high	95	Very high	61 Å²	61	30.3 Å²	30.3	63%	0.629	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	29.8	-171.9	0	0	0	0	0	113.3	C424 I425 Q426	C424-G428 PolarHBondContact O-N 3.46Å; I425-G428 PolarHBondContact O-N 3.1Å; Q426-G428 VanDerWaalsContact C-N 3.34Å
429	L	95.1	Very high	94.9	Very high	21 Å²	21	31.7 Å²	31.7	11%	0.11	19%	0.191	C	C	.	.			trans	-93.5	138.6	-179.6	-64.7	175.9	0	0	0	110.7	C424 A427 I553	C424-L429 PolarHBondContact O-N 3.18Å; A427-L429 VanDerWaalsContact C-N 3.3Å; A427-L429 HydrophobicContact CB-CD1 3.83Å; A427-L429 HydrophobicContact CB-CG 3.73Å; L429-I553 HydrophobicContact CD1-CD1 3.59Å; L429-I553 HydrophobicContact CD1-CG1 3.89Å
430	K	93	Very high	94.9	Very high	162 Å²	162	32.1 Å²	32.1	70%	0.704	19%	0.193	S	C	*	.			trans	-88.4	143.8	-179.2	-64	-174.3	179.2	-177.8	0	111.3	T547 S548	K430-T547 PolarHBondContact O-OG1 2.92Å; K430-S548 PolarHBondContact N-OG 3.29Å; K430-S548 PolarHBondContact O-N 3.19Å; K430-S548 PolarHBondContact O-OG 3.46Å
431	Y	94.4	Very high	94.8	Very high	22 Å²	22	32.3 Å²	32.3	9%	0.086	19%	0.194	C	C	.	.			trans	-130	160.4	164.9	57.1	-92.9	0	0	0	109.7	E240 V244 I412 I415 C424 P433 A544 L545 M546	E240-Y431 WeakPolarHBondContact CG-OH 3.43Å; E240-Y431 WeakPolarHBondContact OE1-CE1 3.39Å; E240-Y431 PolarHBondContact OE1-OH 3.4Å; V244-Y431 VanDerWaalsContact CG2-OH 3.31Å; V244-Y431 WeakPolarHBondContact CG2-OH 3.3Å; I412-Y431 HydrophobicContact CD1-CD1 4.5Å; I412-Y431 HydrophobicContact CD1-CG 4.27Å; I415-Y431 HydrophobicContact CG2-CE2 4.18Å; C424-Y431 HydrophobicContact CB-CD1 3.88Å; C424-Y431 HydrophobicContact CB-CE1 4.05Å; Y431-P433 HydrophobicContact CD2-CG 4.34Å; Y431-P433 HydrophobicContact CE2-CG 4.21Å; Y431-A544 HydrophobicContact CD2-CB 3.51Å; Y431-A544 HydrophobicContact CE2-CB 4.24Å; Y431-A544 HydrophobicContact CG-CB 4.24Å; Y431-L545 CarbonylContact C-O 3.36Å; Y431-L545 WeakPolarHBondContact CA-O 3.39Å; Y431-L545 WeakPolarHBondContact CB-O 3.33Å; Y431-M546 HydrophobicContact CG-SD 4.47Å
432	R	93.5	Very high	94.6	Very high	35 Å²	35	33 Å²	33	13%	0.132	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	108.5	179.2	-174.1	173	85.3	-147.5	3.3	110.1	L434 A544 L545 T547 D650 D670 S672	R432-L434 PolarHBondContact O-N 3.02Å; R432-A544 CarbonylContact O-C 3.47Å; R432-A544 VanDerWaalsContact O-CA 3.22Å; R432-A544 WeakPolarHBondContact O-CA 3.48Å; R432-L545 PolarHBondContact N-O 2.89Å; R432-L545 PolarHBondContact O-N 3.41Å; R432-T547 HydrophobicContact CB-CG2 3.87Å; R432-D650 IonicContact CZ-OD1 2.67Å; R432-D650 VanDerWaalsContact CZ-OD1 3.26Å; R432-D650 IonicContact NE-OD1 3.64Å; R432-D650 PolarHBondContact NE-OD1 3.07Å; R432-D650 IonicContact NH2-OD1 3.65Å; R432-D650 PolarHBondContact NH2-OD1 2.86Å; R432-D670 PolarHBondContact NH2-O 3.4Å; R432-S672 PolarHBondContact NH1-O 2.94Å
433	P	93.6	Very high	94.3	Very high	36 Å²	36	33.8 Å²	33.8	23%	0.234	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	129	167.7	-24.9	34.9	0	0	0	110.7	Y431 R542 H543	Y431-P433 HydrophobicContact CD2-CG 4.34Å; Y431-P433 HydrophobicContact CE2-CG 4.21Å; P433-R542 HydrophobicContact CB-CB 4.23Å; P433-H543 WeakPolarHBondContact CA-O 3.38Å
434	L	93.2	Very high	94	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-84.7	144.8	-177.2	-59.5	178.4	0	0	0	110.8	L411 R432 R542 H543 L545 D650 Y651	L411-L434 HydrophobicContact CD2-CD1 3.84Å; R432-L434 PolarHBondContact O-N 3.02Å; L434-R542 PolarHBondContact O-NE 3.29Å; L434-R542 PolarHBondContact O-NH2 2.9Å; L434-H543 PolarHBondContact N-O 2.84Å; L434-L545 HydrophobicContact CD2-CB 3.96Å; L434-D650 HydrophobicContact CD2-CB 3.88Å; L434-Y651 HydrophobicContact CB-CE1 4.24Å; L434-Y651 HydrophobicContact CD1-CE1 4.35Å
435	S	90.6	Very high	93.8	Very high	38 Å²	38	39 Å²	39	27%	0.266	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-75.7	163	167.6	60.4	0	0	0	0	111.2	D650 Y651	S435-D650 WeakPolarHBondContact CB-OD2 3.45Å; S435-D650 PolarHBondContact N-OD2 3.23Å; S435-D650 PolarHBondContact OG-OD2 3.49Å; S435-Y651 WeakPolarHBondContact O-CE1 3.39Å; S435-Y651 PolarHBondContact O-OH 3.15Å
436	D	88	Confident	93.8	Very high	104 Å²	104	40.9 Å²	40.9	56%	0.556	25%	0.247	S	C	*	.	S	Bend	trans	-89.5	-8.2	-180	-64.7	-19.9	0	0	0	112.8	R3 C438	R3-D436 WeakPolarHBondContact CD-OD1 3.25Å; R3-D436 IonicContact CZ-OD1 3.84Å; R3-D436 IonicContact NE-OD1 3.04Å; R3-D436 IonicContact NH1-OD1 3.86Å; R3-D436 PolarHBondContact NH1-OD1 2.98Å; D436-C438 PolarHBondContact O-N 2.87Å
437	A	91.1	Very high	93.7	Very high	59 Å²	59	45.2 Å²	45.2	49%	0.488	27%	0.27	S	S	.	.			trans	-73.2	126.9	-176.7	0	0	0	0	0	111.6
438	C	94.3	Very high	93.6	Very high	41 Å²	41	45 Å²	45	28%	0.277	27%	0.267	S	S	.	.			trans	-138.6	90.2	177.4	-173.6	0	0	0	0	109.5	D436 L440 Y651	D436-C438 PolarHBondContact O-N 2.87Å; C438-L440 PolarHBondContact O-N 3.06Å; C438-Y651 HydrophobicContact CB-CD2 3.8Å; C438-Y651 HydrophobicContact CB-CE2 3.67Å
439	P	95.6	Very high	93.6	Very high	29 Å²	29	46.8 Å²	46.8	19%	0.188	26%	0.263	C	S	.	.			trans	-64.1	134.4	173.8	26.1	-31.3	0	0	0	109.8	F441 L447 A649 F652 G653	P439-F441 HydrophobicContact CB-CE2 4.17Å; P439-F441 HydrophobicContact CB-CZ 4.1Å; P439-F441 HydrophobicContact CG-CE2 4.16Å; P439-F441 HydrophobicContact CG-CZ 4.31Å; P439-L447 HydrophobicContact CB-CD1 3.89Å; P439-A649 HydrophobicContact CG-CB 4.37Å; P439-F652 HydrophobicContact CG-CB 3.87Å; P439-F652 WeakPolarHBondContact O-CA 3.4Å; P439-F652 WeakPolarHBondContact O-CB 3.29Å; P439-G653 PolarHBondContact O-N 2.83Å
440	L	96.6	Very high	93.6	Very high	11 Å²	11	48.7 Å²	48.7	6%	0.058	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.8	176.8	-56.6	-173.8	0	0	0	109.7	C438 L447 V448 D453 L506 F509 V655	C438-L440 PolarHBondContact O-N 3.06Å; L440-L447 WeakPolarHBondContact O-CD1 3.1Å; L440-V448 HydrophobicContact CB-CB 4.09Å; L440-V448 HydrophobicContact CB-CG2 3.79Å; L440-V448 WeakPolarHBondContact O-CB 3.18Å; L440-V448 VanDerWaalsContact O-CG2 3.32Å; L440-V448 WeakPolarHBondContact O-CG2 3.38Å; L440-V448 PolarHBondContact O-N 3.48Å; L440-D453 WeakPolarHBondContact CD1-OD1 3.47Å; L440-L506 HydrophobicContact CD1-CD2 4.01Å; L440-F509 HydrophobicContact CD1-CD1 4.36Å; L440-F509 HydrophobicContact CD1-CE1 4.06Å; L440-F509 HydrophobicContact CD1-CZ 4.46Å; L440-F509 HydrophobicContact CD2-CE1 3.77Å; L440-F509 HydrophobicContact CD2-CE2 3.94Å; L440-F509 HydrophobicContact CD2-CZ 3.37Å; L440-V655 HydrophobicContact CB-CG2 4.17Å
441	F	95.9	Very high	93.7	Very high	3 Å²	3	49 Å²	49	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.3	178.1	-60.8	-75.5	0	0	0	110.6	P439 S446 L447 K645 T646 F652 G653 V655 L717	P439-F441 HydrophobicContact CB-CE2 4.17Å; P439-F441 HydrophobicContact CB-CZ 4.1Å; P439-F441 HydrophobicContact CG-CE2 4.16Å; P439-F441 HydrophobicContact CG-CZ 4.31Å; F441-S446 CarbonylContact C-O 3.23Å; F441-S446 VanDerWaalsContact CA-O 3.3Å; F441-S446 WeakPolarHBondContact CA-O 3.2Å; F441-L447 HydrophobicContact CD1-CB 4.44Å; F441-L447 HydrophobicContact CD1-CD1 4.02Å; F441-L447 HydrophobicContact CE1-CB 4.43Å; F441-L447 HydrophobicContact CE1-CD1 3.67Å; F441-L447 HydrophobicContact CZ-CD1 4.21Å; F441-K645 HydrophobicContact CD1-CD 4.3Å; F441-K645 HydrophobicContact CE1-CD 3.65Å; F441-K645 VanDerWaalsContact CE1-CE 3.49Å; F441-K645 HydrophobicContact CE1-CG 3.78Å; F441-K645 HydrophobicContact CZ-CD 3.91Å; F441-K645 HydrophobicContact CZ-CG 3.87Å; F441-T646 HydrophobicContact CE2-CG2 4.16Å; F441-T646 HydrophobicContact CZ-CG2 4.37Å; F441-F652 HydrophobicContact CD2-CB 4.31Å; F441-F652 AromaticContact CD2-CD2 3.93Å; F441-F652 HydrophobicContact CD2-CD2 3.93Å; F441-F652 HydrophobicContact CD2-CG 4.47Å; F441-F652 HydrophobicContact CE2-CB 3.88Å; F441-F652 AromaticContact CE2-CD2 3.98Å; F441-F652 HydrophobicContact CE2-CD2 3.98Å; F441-F652 HydrophobicContact CE2-CG 4.13Å; F441-G653 PolarHBondContact N-O 2.78Å; F441-V655 WeakPolarHBondContact O-CB 3.46Å; F441-V655 PolarHBondContact O-N 3.04Å; F441-L717 HydrophobicContact CB-CD2 3.78Å
442	C	94.4	Very high	93.8	Very high	15 Å²	15	48.5 Å²	48.5	10%	0.101	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	162.8	169	-64.8	0	0	0	0	110.6	D444 G445 S446 L717	C442-D444 VanDerWaalsContact CB-OD1 3.26Å; C442-D444 WeakPolarHBondContact CB-OD1 3.15Å; C442-D444 PolarHBondContact O-N 3.29Å; C442-G445 PolarHBondContact O-N 3.25Å; C442-S446 WeakPolarHBondContact CB-OG 3.42Å; C442-S446 PolarHBondContact N-O 3.31Å; C442-L717 WeakPolarHBondContact O-CD2 3.23Å
443	S	90.3	Very high	93.9	Very high	19 Å²	19	48.9 Å²	48.9	13%	0.133	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.7	179.5	-77.3	0	0	0	0	115.2	V655 A656 S657	S443-V655 PolarHBondContact N-O 3.38Å; S443-V655 PolarHBondContact OG-O 3.21Å; S443-A656 WeakPolarHBondContact OG-CA 3.43Å; S443-S657 PolarHBondContact OG-N 3.09Å
444	D	90.9	Very high	94	Very high	105 Å²	105	53.9 Å²	53.9	56%	0.561	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	1.8	173.6	69.4	-6.8	0	0	0	113.4	C442 S446 R716	C442-D444 VanDerWaalsContact CB-OD1 3.26Å; C442-D444 WeakPolarHBondContact CB-OD1 3.15Å; C442-D444 PolarHBondContact O-N 3.29Å; D444-S446 VanDerWaalsContact C-N 3.34Å; D444-S446 VanDerWaalsContact OD1-CB 3.3Å; D444-S446 WeakPolarHBondContact OD1-CB 3.05Å; D444-S446 PolarHBondContact OD1-N 3.03Å; D444-S446 PolarHBondContact OD1-OG 3Å; D444-R716 CarbonylContact C-O 3.55Å
445	G	94.5	Very high	94.2	Very high	4 Å²	4	56.7 Å²	56.7	4%	0.041	32%	0.315	C	S	.	.	S	Bend	trans	83	1.5	-179.2	0	0	0	0	0	115.1	C442 K645 R716 L717	C442-G445 PolarHBondContact O-N 3.25Å; G445-K645 VanDerWaalsContact O-CE 3.25Å; G445-K645 WeakPolarHBondContact O-CE 3.42Å; G445-K645 PolarHBondContact O-NZ 3.1Å; G445-R716 WeakPolarHBondContact CA-O 3.45Å; G445-R716 PolarHBondContact N-O 3.39Å; G445-L717 WeakPolarHBondContact CA-O 3.43Å
446	S	94.9	Very high	94.5	Very high	51 Å²	51	54.9 Å²	54.9	36%	0.357	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-69.9	147.7	170.5	65	0	0	0	0	111.1	F441 C442 D444	F441-S446 CarbonylContact C-O 3.23Å; F441-S446 VanDerWaalsContact CA-O 3.3Å; F441-S446 WeakPolarHBondContact CA-O 3.2Å; C442-S446 WeakPolarHBondContact CB-OG 3.42Å; C442-S446 PolarHBondContact N-O 3.31Å; D444-S446 VanDerWaalsContact C-N 3.34Å; D444-S446 VanDerWaalsContact OD1-CB 3.3Å; D444-S446 WeakPolarHBondContact OD1-CB 3.05Å; D444-S446 PolarHBondContact OD1-N 3.03Å; D444-S446 PolarHBondContact OD1-OG 3Å
447	L	95.4	Very high	94.9	Very high	112 Å²	112	51.9 Å²	51.9	59%	0.586	29%	0.285	S	S	*	.	B	Isolated β-bridge	trans	-74	133.8	172.8	-173.1	73.5	0	0	0	108.6	P439 L440 F441 D449	P439-L447 HydrophobicContact CB-CD1 3.89Å; L440-L447 WeakPolarHBondContact O-CD1 3.1Å; F441-L447 HydrophobicContact CD1-CB 4.44Å; F441-L447 HydrophobicContact CD1-CD1 4.02Å; F441-L447 HydrophobicContact CE1-CB 4.43Å; F441-L447 HydrophobicContact CE1-CD1 3.67Å; F441-L447 HydrophobicContact CZ-CD1 4.21Å; L447-D449 PolarHBondContact O-N 2.86Å
448	V	95.7	Very high	95.2	Very high	10 Å²	10	56.3 Å²	56.3	6%	0.061	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-59.5	136.6	174.5	173.4	0	0	0	0	109.8	L440 A450 D453 L506 V655	L440-V448 HydrophobicContact CB-CB 4.09Å; L440-V448 HydrophobicContact CB-CG2 3.79Å; L440-V448 WeakPolarHBondContact O-CB 3.18Å; L440-V448 VanDerWaalsContact O-CG2 3.32Å; L440-V448 WeakPolarHBondContact O-CG2 3.38Å; L440-V448 PolarHBondContact O-N 3.48Å; V448-A450 PolarHBondContact O-N 3.05Å; V448-D453 HydrophobicContact CG1-CB 3.99Å; V448-L506 HydrophobicContact CG1-CD1 3.75Å; V448-L506 HydrophobicContact CG1-CD2 3.85Å; V448-L506 HydrophobicContact CG1-CG 4.33Å; V448-L506 HydrophobicContact CG2-CD2 4.03Å; V448-V655 HydrophobicContact CG2-CG2 3.95Å
449	D	95.2	Very high	95.3	Very high	99 Å²	99	55 Å²	55	53%	0.529	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-60	132.2	174.5	171	69.2	0	0	0	111.5	L447 Y451 A452 D453	L447-D449 PolarHBondContact O-N 2.86Å; D449-Y451 PolarHBondContact O-N 2.64Å; D449-Y451 WeakPolarHBondContact OD2-CA 3.43Å; D449-Y451 VanDerWaalsContact OD2-CB 3.25Å; D449-Y451 WeakPolarHBondContact OD2-CB 3.44Å; D449-Y451 PolarHBondContact OD2-N 2.99Å; D449-A452 HydrophobicContact CB-CB 4.19Å; D449-A452 PolarHBondContact O-N 3.47Å; D449-A452 VanDerWaalsContact O-N 3.16Å; D449-A452 PolarHBondContact OD2-N 3.15Å; D449-D453 PolarHBondContact O-N 3.41Å
450	A	94.5	Very high	95.4	Very high	62 Å²	62	54.1 Å²	54.1	51%	0.512	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-23.5	-173.4	0	0	0	0	0	113.6	V448 K454	V448-A450 PolarHBondContact O-N 3.05Å; A450-K454 WeakPolarHBondContact O-CG 3.34Å; A450-K454 PolarHBondContact O-N 3.48Å
451	Y	95.9	Very high	95.4	Very high	167 Å²	167	54.6 Å²	54.6	66%	0.655	28%	0.279	S	S	*	.	H	α-helix	trans	-77.7	-43.9	173.8	175.3	-93.4	0	0	0	110.7	D449 K454 K455	D449-Y451 PolarHBondContact O-N 2.64Å; D449-Y451 WeakPolarHBondContact OD2-CA 3.43Å; D449-Y451 VanDerWaalsContact OD2-CB 3.25Å; D449-Y451 WeakPolarHBondContact OD2-CB 3.44Å; D449-Y451 PolarHBondContact OD2-N 2.99Å; Y451-K454 PolarHBondContact O-N 3.19Å; Y451-K455 HydrophobicContact CE1-CD 4.14Å; Y451-K455 VanDerWaalsContact O-CB 3.23Å; Y451-K455 WeakPolarHBondContact O-CB 3.4Å; Y451-K455 PolarHBondContact O-N 3.15Å
452	A	95.9	Very high	95.5	Very high	12 Å²	12	56.4 Å²	56.4	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-47.1	175.1	0	0	0	0	0	112.2	D449 K455 V456 L506	D449-A452 HydrophobicContact CB-CB 4.19Å; D449-A452 PolarHBondContact O-N 3.47Å; D449-A452 VanDerWaalsContact O-N 3.16Å; D449-A452 PolarHBondContact OD2-N 3.15Å; A452-K455 PolarHBondContact O-N 3.21Å; A452-V456 WeakPolarHBondContact O-CG2 3.19Å; A452-V456 PolarHBondContact O-N 2.98Å; A452-L506 HydrophobicContact CB-CD1 4.15Å
453	D	96	Very high	95.6	Very high	43 Å²	43	56 Å²	56	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-54.4	-56.3	176	-177.8	21	0	0	0	111.2	L440 V448 D449 K455 V456 E457	L440-D453 WeakPolarHBondContact CD1-OD1 3.47Å; V448-D453 HydrophobicContact CG1-CB 3.99Å; D449-D453 PolarHBondContact O-N 3.41Å; D453-K455 VanDerWaalsContact C-N 3.33Å; D453-K455 PolarHBondContact O-N 2.51Å; D453-V456 PolarHBondContact O-N 3.22Å; D453-E457 VanDerWaalsContact O-CB 3.28Å; D453-E457 WeakPolarHBondContact O-CB 3.41Å; D453-E457 PolarHBondContact O-N 3.32Å
454	K	96.1	Very high	95.8	Very high	142 Å²	142	55.5 Å²	55.5	62%	0.617	29%	0.285	S	S	*	.	H	α-helix	trans	-60.4	-39.5	178.5	-73.7	177.4	-178.6	174.8	0	113.4	A450 Y451 F458	A450-K454 WeakPolarHBondContact O-CG 3.34Å; A450-K454 PolarHBondContact O-N 3.48Å; Y451-K454 PolarHBondContact O-N 3.19Å; K454-F458 VanDerWaalsContact O-CB 3.23Å; K454-F458 WeakPolarHBondContact O-CB 3.38Å; K454-F458 PolarHBondContact O-N 3.43Å
455	K	96.3	Very high	96	Very high	65 Å²	65	54.3 Å²	54.3	28%	0.283	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-49	179.5	177.1	-174.8	169.8	-168.3	0	110.5	Y451 A452 D453 F458 H459 E503	Y451-K455 HydrophobicContact CE1-CD 4.14Å; Y451-K455 VanDerWaalsContact O-CB 3.23Å; Y451-K455 WeakPolarHBondContact O-CB 3.4Å; Y451-K455 PolarHBondContact O-N 3.15Å; A452-K455 PolarHBondContact O-N 3.21Å; D453-K455 VanDerWaalsContact C-N 3.33Å; D453-K455 PolarHBondContact O-N 2.51Å; K455-F458 PolarHBondContact O-N 3.43Å; K455-H459 WeakPolarHBondContact O-CB 3.36Å; K455-H459 PolarHBondContact O-N 3.3Å; K455-E503 WeakPolarHBondContact CD-OE1 3.32Å; K455-E503 WeakPolarHBondContact CE-OE1 3.49Å; K455-E503 IonicContact NZ-OE1 3.77Å; K455-E503 PolarHBondContact NZ-OE1 3.19Å; K455-E503 IonicContact NZ-OE2 3.19Å
456	V	97.1	Very high	95.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-72.8	-38.9	-177.6	179.6	0	0	0	0	111.2	A452 D453 F458 H459 F460 F499 E503 L506 L507	A452-V456 WeakPolarHBondContact O-CG2 3.19Å; A452-V456 PolarHBondContact O-N 2.98Å; D453-V456 PolarHBondContact O-N 3.22Å; V456-F458 VanDerWaalsContact C-N 3.34Å; V456-F458 PolarHBondContact O-N 3.44Å; V456-H459 PolarHBondContact O-N 2.92Å; V456-F460 WeakPolarHBondContact O-CB 3.3Å; V456-F460 PolarHBondContact O-N 3.23Å; V456-F499 HydrophobicContact CG1-CE2 4.42Å; V456-F499 HydrophobicContact CG2-CE2 4.06Å; V456-E503 HydrophobicContact CG2-CB 3.88Å; V456-E503 HydrophobicContact CG2-CG 3.99Å; V456-L506 HydrophobicContact CB-CB 4.05Å; V456-L506 HydrophobicContact CB-CD1 4.46Å; V456-L506 HydrophobicContact CG1-CB 3.76Å; V456-L506 HydrophobicContact CG2-CB 4.11Å; V456-L506 HydrophobicContact CG2-CD1 4.13Å; V456-L507 HydrophobicContact CG1-CB 4.05Å
457	E	96.2	Very high	95.8	Very high	41 Å²	41	53.4 Å²	53.4	19%	0.192	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-48	172.3	-178.5	-172	-166.2	0	0	110.8	C2 S4 D453 H459 F460 N461	C2-E457 PolarHBondContact SG-OE1 3.3Å; S4-E457 VanDerWaalsContact CB-OE1 3.3Å; S4-E457 WeakPolarHBondContact CB-OE1 3.35Å; S4-E457 PolarHBondContact OG-OE1 2.93Å; D453-E457 VanDerWaalsContact O-CB 3.28Å; D453-E457 WeakPolarHBondContact O-CB 3.41Å; D453-E457 PolarHBondContact O-N 3.32Å; E457-H459 VanDerWaalsContact C-N 3.33Å; E457-H459 PolarHBondContact O-N 2.91Å; E457-F460 PolarHBondContact O-N 3.13Å; E457-N461 WeakPolarHBondContact O-CB 3.39Å; E457-N461 VanDerWaalsContact O-CG 3.3Å; E457-N461 PolarHBondContact O-N 3.18Å; E457-N461 PolarHBondContact O-ND2 3.18Å
458	F	97	Very high	95.5	Very high	151 Å²	151	52.7 Å²	52.7	66%	0.662	27%	0.267	S	S	*	.	H	α-helix	trans	-60.6	-43.2	176.9	-178.6	-90.3	0	0	0	111.8	K454 K455 V456 N461 S462	K454-F458 VanDerWaalsContact O-CB 3.23Å; K454-F458 WeakPolarHBondContact O-CB 3.38Å; K454-F458 PolarHBondContact O-N 3.43Å; K455-F458 PolarHBondContact O-N 3.43Å; V456-F458 VanDerWaalsContact C-N 3.34Å; V456-F458 PolarHBondContact O-N 3.44Å; F458-N461 PolarHBondContact O-N 3.19Å; F458-S462 WeakPolarHBondContact O-CB 3.31Å; F458-S462 PolarHBondContact O-N 3.5Å; F458-S462 PolarHBondContact O-OG 3.47Å
459	H	97.5	Very high	95.3	Very high	13 Å²	13	59.1 Å²	59.1	6%	0.06	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-51.8	176.8	-171.2	58.4	0	0	0	111.7	K455 V456 E457 N461 S462 L463 H488 Y491 F499	K455-H459 WeakPolarHBondContact O-CB 3.36Å; K455-H459 PolarHBondContact O-N 3.3Å; V456-H459 PolarHBondContact O-N 2.92Å; E457-H459 VanDerWaalsContact C-N 3.33Å; E457-H459 PolarHBondContact O-N 2.91Å; H459-N461 VanDerWaalsContact C-N 3.28Å; H459-N461 PolarHBondContact O-N 2.87Å; H459-S462 CarbonylContact O-C 3.38Å; H459-S462 WeakPolarHBondContact O-CA 3.46Å; H459-S462 WeakPolarHBondContact O-CB 3.28Å; H459-S462 PolarHBondContact O-N 3.48Å; H459-L463 WeakPolarHBondContact O-CG 3.47Å; H459-L463 PolarHBondContact O-N 2.88Å; H459-H488 AromaticContact CD2-ND1 3.59Å; H459-H488 AromaticContact NE2-CE1 3.76Å; H459-H488 AromaticContact NE2-ND1 3.07Å; H459-H488 PolarHBondContact NE2-ND1 2.83Å; H459-Y491 AromaticContact CE1-CD1 3.29Å; H459-Y491 WeakPolarHBondContact CE1-CD1 3.3Å; H459-Y491 AromaticContact CE1-CE1 3.53Å; H459-Y491 AromaticContact CE1-CG 3.85Å; H459-Y491 AromaticContact ND1-CE1 3.9Å; H459-F499 HydrophobicContact CB-CZ 3.97Å; H459-F499 AromaticContact CD2-CE2 3.75Å; H459-F499 AromaticContact CD2-CZ 3.4Å; H459-F499 WeakPolarHBondContact CD2-CZ 3.35Å; H459-F499 AromaticContact CG-CZ 3.66Å
460	F	97.6	Very high	94.9	Very high	12 Å²	12	58.3 Å²	58.3	5%	0.053	28%	0.281	C	S	.	.	H	α-helix	trans	-55.5	-43.3	178.7	175	-103.8	0	0	0	112.1	V456 E457 L463 L464 L507 H510 I511 L514	V456-F460 WeakPolarHBondContact O-CB 3.3Å; V456-F460 PolarHBondContact O-N 3.23Å; E457-F460 PolarHBondContact O-N 3.13Å; F460-L463 WeakPolarHBondContact O-CB 3.29Å; F460-L463 PolarHBondContact O-N 2.99Å; F460-L464 HydrophobicContact CD1-CD1 4.22Å; F460-L464 HydrophobicContact CE1-CD1 3.65Å; F460-L464 HydrophobicContact CE1-CG 4.41Å; F460-L464 HydrophobicContact CZ-CD1 3.97Å; F460-L464 HydrophobicContact CZ-CG 4.42Å; F460-L464 PolarHBondContact O-N 2.96Å; F460-L464 VanDerWaalsContact O-N 3.14Å; F460-L507 HydrophobicContact CB-CD1 4.22Å; F460-L507 HydrophobicContact CD2-CD1 3.98Å; F460-H510 HydrophobicContact CB-CB 4.26Å; F460-H510 HydrophobicContact CD1-CB 3.81Å; F460-H510 HydrophobicContact CD2-CB 3.72Å; F460-H510 HydrophobicContact CE1-CB 4.02Å; F460-H510 HydrophobicContact CE2-CB 3.94Å; F460-H510 HydrophobicContact CG-CB 3.64Å; F460-H510 HydrophobicContact CZ-CB 4.07Å; F460-I511 HydrophobicContact CE2-CG1 4.24Å; F460-L514 HydrophobicContact CZ-CB 4.28Å; F460-L514 HydrophobicContact CZ-CD2 4.09Å
461	N	96.8	Very high	94.5	Very high	20 Å²	20	56.8 Å²	56.8	11%	0.107	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-38.3	176	-69.6	-41.2	0	0	0	112.4	A5 R9 E457 F458 H459 L463 L464 D465	A5-N461 VanDerWaalsContact CB-CG 3.43Å; A5-N461 WeakPolarHBondContact CB-OD1 3.37Å; R9-N461 PolarHBondContact NH2-O 2.93Å; E457-N461 WeakPolarHBondContact O-CB 3.39Å; E457-N461 VanDerWaalsContact O-CG 3.3Å; E457-N461 PolarHBondContact O-N 3.18Å; E457-N461 PolarHBondContact O-ND2 3.18Å; F458-N461 PolarHBondContact O-N 3.19Å; H459-N461 VanDerWaalsContact C-N 3.28Å; H459-N461 PolarHBondContact O-N 2.87Å; N461-L463 VanDerWaalsContact C-N 3.29Å; N461-L463 PolarHBondContact O-N 3.07Å; N461-L464 CarbonylContact O-C 3.58Å; N461-L464 WeakPolarHBondContact O-CB 3.24Å; N461-L464 PolarHBondContact O-N 3.48Å; N461-L464 VanDerWaalsContact O-N 3.09Å; N461-D465 PolarHBondContact O-N 3.3Å
462	S	96.9	Very high	93.8	Very high	41 Å²	41	52.8 Å²	52.8	29%	0.287	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-36	174	-56.7	0	0	0	0	111.9	F458 H459 L464 D465 A466	F458-S462 WeakPolarHBondContact O-CB 3.31Å; F458-S462 PolarHBondContact O-N 3.5Å; F458-S462 PolarHBondContact O-OG 3.47Å; H459-S462 CarbonylContact O-C 3.38Å; H459-S462 WeakPolarHBondContact O-CA 3.46Å; H459-S462 WeakPolarHBondContact O-CB 3.28Å; H459-S462 PolarHBondContact O-N 3.48Å; S462-L464 VanDerWaalsContact C-N 3.34Å; S462-L464 PolarHBondContact O-N 2.88Å; S462-D465 WeakPolarHBondContact O-CB 3.22Å; S462-D465 PolarHBondContact O-N 3.32Å; S462-A466 PolarHBondContact O-N 3.42Å
463	L	96.5	Very high	93.3	Very high	7 Å²	7	59.5 Å²	59.5	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-43.3	171.4	-59.8	177.2	0	0	0	111	H459 F460 N461 D465 A466 V467 L484 I487 H488 L507	H459-L463 WeakPolarHBondContact O-CG 3.47Å; H459-L463 PolarHBondContact O-N 2.88Å; F460-L463 WeakPolarHBondContact O-CB 3.29Å; F460-L463 PolarHBondContact O-N 2.99Å; N461-L463 VanDerWaalsContact C-N 3.29Å; N461-L463 PolarHBondContact O-N 3.07Å; L463-D465 VanDerWaalsContact C-N 3.32Å; L463-D465 PolarHBondContact O-N 3.29Å; L463-A466 WeakPolarHBondContact O-CB 3.12Å; L463-A466 PolarHBondContact O-N 3.38Å; L463-V467 WeakPolarHBondContact O-CG2 3.44Å; L463-V467 PolarHBondContact O-N 2.87Å; L463-L484 HydrophobicContact CB-CD2 3.71Å; L463-I487 HydrophobicContact CD2-CB 4.22Å; L463-I487 HydrophobicContact CD2-CG2 3.67Å; L463-H488 HydrophobicContact CD1-CB 3.98Å; L463-H488 HydrophobicContact CD2-CB 4.08Å; L463-L507 HydrophobicContact CD1-CD1 4.22Å
464	L	95.1	Very high	92.8	Very high	9 Å²	9	58.7 Å²	58.7	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-66.5	-31.5	175.9	-64.5	174.5	0	0	0	112.9	F460 N461 S462 E468 L484 L514 W530	F460-L464 HydrophobicContact CD1-CD1 4.22Å; F460-L464 HydrophobicContact CE1-CD1 3.65Å; F460-L464 HydrophobicContact CE1-CG 4.41Å; F460-L464 HydrophobicContact CZ-CD1 3.97Å; F460-L464 HydrophobicContact CZ-CG 4.42Å; F460-L464 PolarHBondContact O-N 2.96Å; F460-L464 VanDerWaalsContact O-N 3.14Å; N461-L464 CarbonylContact O-C 3.58Å; N461-L464 WeakPolarHBondContact O-CB 3.24Å; N461-L464 PolarHBondContact O-N 3.48Å; N461-L464 VanDerWaalsContact O-N 3.09Å; S462-L464 VanDerWaalsContact C-N 3.34Å; S462-L464 PolarHBondContact O-N 2.88Å; L464-E468 PolarHBondContact O-N 3.22Å; L464-L484 HydrophobicContact CD2-CD2 4Å; L464-L514 HydrophobicContact CD2-CD2 4.11Å; L464-W530 HydrophobicContact CD2-CZ2 3.89Å
465	D	93.9	Very high	92.1	Very high	80 Å²	80	61.9 Å²	61.9	43%	0.428	30%	0.295	S	S	.	.	H	α-helix	trans	-67.2	-41.4	171.6	-77.2	-50.9	0	0	0	111.1	R9 N461 S462 L463 E468 Y469	R9-D465 IonicContact CZ-OD1 3.98Å; R9-D465 IonicContact CZ-OD2 2.79Å; R9-D465 IonicContact NE-OD1 2.67Å; R9-D465 PolarHBondContact NE-OD1 3.08Å; R9-D465 VanDerWaalsContact NE-OD1 3.13Å; R9-D465 IonicContact NE-OD2 3.84Å; R9-D465 IonicContact NH1-OD1 3.88Å; R9-D465 PolarHBondContact NH1-OD1 3.4Å; R9-D465 IonicContact NH2-OD1 2.91Å; R9-D465 PolarHBondContact NH2-OD1 3.14Å; R9-D465 IonicContact NH2-OD2 3.78Å; R9-D465 PolarHBondContact NH2-OD2 3.43Å; N461-D465 PolarHBondContact O-N 3.3Å; S462-D465 WeakPolarHBondContact O-CB 3.22Å; S462-D465 PolarHBondContact O-N 3.32Å; L463-D465 VanDerWaalsContact C-N 3.32Å; L463-D465 PolarHBondContact O-N 3.29Å; D465-E468 PolarHBondContact O-N 3.23Å; D465-Y469 PolarHBondContact O-N 3.36Å
466	A	93.8	Very high	91.7	Very high	35 Å²	35	65.7 Å²	65.7	29%	0.289	31%	0.313	S	S	.	.	H	α-helix	trans	-65.9	-39.5	175.4	0	0	0	0	0	112.2	S462 L463 Y469 Y470 I487	S462-A466 PolarHBondContact O-N 3.42Å; L463-A466 WeakPolarHBondContact O-CB 3.12Å; L463-A466 PolarHBondContact O-N 3.38Å; A466-Y469 PolarHBondContact O-N 3.38Å; A466-Y470 WeakPolarHBondContact O-CB 3.39Å; A466-Y470 PolarHBondContact O-N 3.34Å; A466-I487 HydrophobicContact CB-CD1 4.05Å; A466-I487 HydrophobicContact CB-CG2 3.83Å
467	V	92.6	Very high	91.5	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-57.6	-49.8	170.7	169.2	0	0	0	0	109.9	L463 Y469 Y470 R471 L480 L483 L484 I487	L463-V467 WeakPolarHBondContact O-CG2 3.44Å; L463-V467 PolarHBondContact O-N 2.87Å; V467-Y469 VanDerWaalsContact C-N 3.29Å; V467-Y469 PolarHBondContact O-N 3.47Å; V467-Y470 WeakPolarHBondContact O-CA 3.41Å; V467-Y470 WeakPolarHBondContact O-CB 3.4Å; V467-Y470 PolarHBondContact O-N 3.19Å; V467-R471 HydrophobicContact CG1-CG 4.48Å; V467-R471 VanDerWaalsContact O-CG 3.31Å; V467-R471 WeakPolarHBondContact O-CG 3.34Å; V467-R471 PolarHBondContact O-N 2.76Å; V467-L480 HydrophobicContact CG1-CD1 3.99Å; V467-L480 HydrophobicContact CG2-CD1 4.32Å; V467-L483 HydrophobicContact CB-CD2 4.38Å; V467-L483 HydrophobicContact CG1-CD2 4.01Å; V467-L483 HydrophobicContact CG2-CD2 3.97Å; V467-L483 HydrophobicContact CG2-CG 4.12Å; V467-L484 HydrophobicContact CG2-CD2 3.79Å; V467-L484 HydrophobicContact CG2-CG 4.28Å; V467-I487 HydrophobicContact CG2-CD1 3.82Å
468	E	89.6	Confident	91.3	Very high	96 Å²	96	68.4 Å²	68.4	45%	0.449	33%	0.329	S	S	.	.	H	α-helix	trans	-59.9	-39.6	178.6	-171.6	60.4	-153.1	0	0	112.3	L464 D465 R471	L464-E468 PolarHBondContact O-N 3.22Å; D465-E468 PolarHBondContact O-N 3.23Å; E468-R471 WeakPolarHBondContact O-CB 3.35Å; E468-R471 PolarHBondContact O-N 3.32Å; E468-R471 VanDerWaalsContact OE2-CD 3.32Å; E468-R471 WeakPolarHBondContact OE2-CD 3.46Å; E468-R471 IonicContact OE2-CZ 2.61Å; E468-R471 IonicContact OE2-NE 2.71Å; E468-R471 IonicContact OE2-NH1 3.61Å; E468-R471 PolarHBondContact OE2-NH1 2.9Å
469	Y	89.9	Confident	91.2	Very high	146 Å²	146	62.4 Å²	62.4	57%	0.573	30%	0.304	S	S	*	.	H	α-helix	trans	-63.6	-42.7	173.1	-176.9	-98.4	0	0	0	112.3	D465 A466 V467 S472 R473	D465-Y469 PolarHBondContact O-N 3.36Å; A466-Y469 PolarHBondContact O-N 3.38Å; V467-Y469 VanDerWaalsContact C-N 3.29Å; V467-Y469 PolarHBondContact O-N 3.47Å; Y469-S472 PolarHBondContact O-N 3.35Å; Y469-S472 PolarHBondContact O-OG 3.21Å; Y469-R473 VanDerWaalsContact CZ-CZ 3.46Å; Y469-R473 VanDerWaalsContact CZ-NH1 3.26Å; Y469-R473 VanDerWaalsContact OH-CZ 3.26Å; Y469-R473 PolarHBondContact OH-NH2 2.92Å; Y469-R473 VanDerWaalsContact OH-NH2 3.11Å
470	Y	88.1	Confident	91.1	Very high	82 Å²	82	61.8 Å²	61.8	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-60.4	-44	176.3	179.3	-93.9	0	0	0	111.8	A466 V467 S472 R473 A474 L483	A466-Y470 WeakPolarHBondContact O-CB 3.39Å; A466-Y470 PolarHBondContact O-N 3.34Å; V467-Y470 WeakPolarHBondContact O-CA 3.41Å; V467-Y470 WeakPolarHBondContact O-CB 3.4Å; V467-Y470 PolarHBondContact O-N 3.19Å; Y470-S472 PolarHBondContact O-N 2.92Å; Y470-S472 VanDerWaalsContact O-N 3.15Å; Y470-R473 PolarHBondContact O-N 3.5Å; Y470-A474 HydrophobicContact CD1-CB 3.9Å; Y470-A474 HydrophobicContact CE1-CB 3.52Å; Y470-A474 PolarHBondContact O-N 3.49Å; Y470-L483 HydrophobicContact CD1-CD1 4.04Å; Y470-L483 HydrophobicContact CD1-CD2 3.58Å; Y470-L483 HydrophobicContact CD1-CG 4.49Å; Y470-L483 HydrophobicContact CD2-CD1 4.35Å; Y470-L483 HydrophobicContact CE1-CD1 4.13Å; Y470-L483 HydrophobicContact CE1-CD2 4.04Å; Y470-L483 HydrophobicContact CE2-CD1 4.44Å; Y470-L483 HydrophobicContact CG-CD1 4.16Å; Y470-L483 HydrophobicContact CG-CD2 4.2Å
471	R	86.3	Confident	91.1	Very high	29 Å²	29	62.4 Å²	62.4	11%	0.109	31%	0.305	C	S	.	.	H	α-helix	trans	-51.3	-40.2	178.5	-70.4	179.9	169.1	-176.4	-24.3	113.7	V467 E468 R473 A474 S527 I528 S531	V467-R471 HydrophobicContact CG1-CG 4.48Å; V467-R471 VanDerWaalsContact O-CG 3.31Å; V467-R471 WeakPolarHBondContact O-CG 3.34Å; V467-R471 PolarHBondContact O-N 2.76Å; E468-R471 WeakPolarHBondContact O-CB 3.35Å; E468-R471 PolarHBondContact O-N 3.32Å; E468-R471 VanDerWaalsContact OE2-CD 3.32Å; E468-R471 WeakPolarHBondContact OE2-CD 3.46Å; E468-R471 IonicContact OE2-CZ 2.61Å; E468-R471 IonicContact OE2-NE 2.71Å; E468-R471 IonicContact OE2-NH1 3.61Å; E468-R471 PolarHBondContact OE2-NH1 2.9Å; R471-R473 PolarHBondContact O-N 2.66Å; R471-A474 PolarHBondContact O-N 3.02Å; R471-S527 VanDerWaalsContact CZ-O 3.23Å; R471-S527 PolarHBondContact NE-O 3.12Å; R471-S527 PolarHBondContact NH2-O 2.86Å; R471-I528 WeakPolarHBondContact CD-O 3.23Å; R471-I528 HydrophobicContact CG-CG1 4.48Å; R471-I528 HydrophobicContact CG-CG2 4.49Å; R471-I528 VanDerWaalsContact CZ-C 3.48Å; R471-I528 PolarHBondContact NE-O 3.01Å; R471-I528 PolarHBondContact NH2-O 3.16Å; R471-I528 VanDerWaalsContact NH2-O 3.09Å; R471-S531 PolarHBondContact NH1-OG 3.42Å
472	S	79.8	Confident	91.1	Very high	84 Å²	84	66 Å²	66	59%	0.587	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.8	-179.3	71.2	0	0	0	0	114.2	Y469 Y470	Y469-S472 PolarHBondContact O-N 3.35Å; Y469-S472 PolarHBondContact O-OG 3.21Å; Y470-S472 PolarHBondContact O-N 2.92Å; Y470-S472 VanDerWaalsContact O-N 3.15Å
473	R	86.6	Confident	91	Very high	153 Å²	153	64.3 Å²	64.3	58%	0.577	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.9	-13	-175.4	-69	172.1	173	77	-4.3	114	Y469 Y470 R471	Y469-R473 VanDerWaalsContact CZ-CZ 3.46Å; Y469-R473 VanDerWaalsContact CZ-NH1 3.26Å; Y469-R473 VanDerWaalsContact OH-CZ 3.26Å; Y469-R473 PolarHBondContact OH-NH2 2.92Å; Y469-R473 VanDerWaalsContact OH-NH2 3.11Å; Y470-R473 PolarHBondContact O-N 3.5Å; R471-R473 PolarHBondContact O-N 2.66Å
474	A	84.5	Confident	91	Very high	26 Å²	26	64 Å²	64	22%	0.215	31%	0.31	C	S	.	.			trans	-62	136.8	-178.2	0	0	0	0	0	110.8	Y470 R471 I528	Y470-A474 HydrophobicContact CD1-CB 3.9Å; Y470-A474 HydrophobicContact CE1-CB 3.52Å; Y470-A474 PolarHBondContact O-N 3.49Å; R471-A474 PolarHBondContact O-N 3.02Å; A474-I528 HydrophobicContact CB-CD1 3.92Å; A474-I528 HydrophobicContact CB-CG1 4.43Å
475	K	81.8	Confident	91	Very high	209 Å²	209	66.5 Å²	66.5	91%	0.909	32%	0.323	S	S	*	.	S	Bend	trans	-96.2	-25.2	172	-67.9	-177.3	179.5	178.2	0	112.6
476	E	88.3	Confident	91.1	Very high	144 Å²	144	68.2 Å²	68.2	67%	0.673	33%	0.328	S	S	*	.	S	Bend	trans	-128.3	142.8	-175.5	-65.1	178.8	-178.3	0	0	108.6
477	D	92.9	Very high	91.2	Very high	31 Å²	31	68.3 Å²	68.3	17%	0.166	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-88.1	123.4	174.9	-170.1	23.7	0	0	0	109.6	S526 S527 I528 V749 G750	D477-S526 PolarHBondContact OD1-OG 3.43Å; D477-S526 VanDerWaalsContact OD1-OG 3.08Å; D477-S526 WeakPolarHBondContact OD2-CB 3.46Å; D477-S526 PolarHBondContact OD2-OG 2.62Å; D477-S527 PolarHBondContact OD1-N 3.46Å; D477-S527 VanDerWaalsContact OD1-N 3.08Å; D477-S527 PolarHBondContact OD1-OG 2.96Å; D477-I528 HydrophobicContact CB-CD1 3.87Å; D477-I528 HydrophobicContact CB-CG1 4.3Å; D477-I528 WeakPolarHBondContact OD1-CG1 3.46Å; D477-I528 PolarHBondContact OD1-N 2.8Å; D477-I528 VanDerWaalsContact OD1-N 3.09Å; D477-V749 HydrophobicContact CB-CG1 4.31Å; D477-V749 VanDerWaalsContact O-CG1 3.27Å; D477-V749 WeakPolarHBondContact O-CG1 3.5Å; D477-V749 WeakPolarHBondContact OD2-CA 3.39Å; D477-G750 PolarHBondContact OD2-N 3.2Å
478	N	91.8	Very high	91.4	Very high	67 Å²	67	68.5 Å²	68.5	36%	0.358	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-103.3	173.5	171.6	-68.6	-45.1	0	0	0	109.9	S527	N478-S527 PolarHBondContact N-OG 2.8Å; N478-S527 WeakPolarHBondContact O-CB 3.38Å; N478-S527 PolarHBondContact O-N 3.06Å; N478-S527 PolarHBondContact O-OG 3.33Å
479	N	95.2	Very high	91.8	Very high	26 Å²	26	67.5 Å²	67.5	14%	0.139	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-74	150.7	168.9	72.7	78.5	0	0	0	111.1	L481 D482 L483 D523 V525 V749	N479-L481 VanDerWaalsContact C-N 3.33Å; N479-L481 PolarHBondContact O-N 3.15Å; N479-L481 PolarHBondContact OD1-N 3.03Å; N479-D482 VanDerWaalsContact ND2-CG 3.26Å; N479-D482 PolarHBondContact ND2-OD2 3.03Å; N479-D482 WeakPolarHBondContact OD1-CB 3.28Å; N479-D482 VanDerWaalsContact OD1-CG 3.3Å; N479-D482 PolarHBondContact OD1-N 2.77Å; N479-L483 PolarHBondContact O-N 2.91Å; N479-D523 VanDerWaalsContact CB-C 3.46Å; N479-D523 WeakPolarHBondContact CB-O 3.23Å; N479-V525 WeakPolarHBondContact CA-O 3.37Å; N479-V749 HydrophobicContact CB-CG2 3.82Å
480	L	96	Very high	92	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-68.5	-31.3	-174.9	-177.5	58.3	0	0	0	112.7	V467 L484 L514 L522 V525 W530	V467-L480 HydrophobicContact CG1-CD1 3.99Å; V467-L480 HydrophobicContact CG2-CD1 4.32Å; L480-L484 HydrophobicContact CD1-CD1 4.18Å; L480-L484 HydrophobicContact CD1-CG 4.13Å; L480-L484 HydrophobicContact CG-CD1 3.94Å; L480-L484 HydrophobicContact CG-CG 4.36Å; L480-L484 WeakPolarHBondContact O-CB 3.49Å; L480-L484 VanDerWaalsContact O-CG 3.25Å; L480-L484 WeakPolarHBondContact O-CG 2.85Å; L480-L484 PolarHBondContact O-N 2.75Å; L480-L514 HydrophobicContact CD2-CD2 3.85Å; L480-L522 HydrophobicContact CB-CB 4.4Å; L480-L522 HydrophobicContact CD2-CD1 4.29Å; L480-L522 HydrophobicContact CD2-CD2 4.27Å; L480-L522 HydrophobicContact CG-CD1 4.38Å; L480-L522 PolarHBondContact N-O 2.76Å; L480-V525 HydrophobicContact CB-CB 4.49Å; L480-V525 HydrophobicContact CD2-CG1 4.4Å; L480-V525 PolarHBondContact N-O 3.05Å; L480-W530 HydrophobicContact CD2-CB 4.1Å; L480-W530 HydrophobicContact CD2-CD2 3.98Å; L480-W530 HydrophobicContact CD2-CG 3.61Å
481	L	96.6	Very high	92.4	Very high	25 Å²	25	64 Å²	64	13%	0.131	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-53	-179.3	-173.6	57.9	0	0	0	111.5	N479 L483 L484 M485 I511 L522 D523	N479-L481 VanDerWaalsContact C-N 3.33Å; N479-L481 PolarHBondContact O-N 3.15Å; N479-L481 PolarHBondContact OD1-N 3.03Å; L481-L483 VanDerWaalsContact C-N 3.29Å; L481-L483 PolarHBondContact O-N 3.37Å; L481-L484 PolarHBondContact O-N 3.48Å; L481-M485 HydrophobicContact CD1-CG 4.17Å; L481-M485 HydrophobicContact CG-CG 4.48Å; L481-M485 WeakPolarHBondContact O-CG 3.38Å; L481-M485 PolarHBondContact O-N 2.78Å; L481-I511 HydrophobicContact CD1-CD1 4.43Å; L481-I511 HydrophobicContact CD1-CG2 4.02Å; L481-L522 HydrophobicContact CB-CB 3.75Å; L481-L522 HydrophobicContact CD1-CB 4.48Å; L481-L522 PolarHBondContact N-O 2.82Å; L481-D523 HydrophobicContact CD2-CB 4.42Å
482	D	95.9	Very high	92.9	Very high	96 Å²	96	63.9 Å²	63.9	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-41.3	-176.9	-71.6	-8	0	0	0	110.7	N479 M485 Q486	N479-D482 VanDerWaalsContact ND2-CG 3.26Å; N479-D482 PolarHBondContact ND2-OD2 3.03Å; N479-D482 WeakPolarHBondContact OD1-CB 3.28Å; N479-D482 VanDerWaalsContact OD1-CG 3.3Å; N479-D482 PolarHBondContact OD1-N 2.77Å; D482-M485 PolarHBondContact O-N 3.26Å; D482-Q486 WeakPolarHBondContact O-CB 3.45Å; D482-Q486 PolarHBondContact O-N 2.99Å
483	L	95.3	Very high	93.6	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-65.3	-43.1	176.9	-176.5	62.1	0	0	0	111.9	V467 Y470 N479 L481 I487	V467-L483 HydrophobicContact CB-CD2 4.38Å; V467-L483 HydrophobicContact CG1-CD2 4.01Å; V467-L483 HydrophobicContact CG2-CD2 3.97Å; V467-L483 HydrophobicContact CG2-CG 4.12Å; Y470-L483 HydrophobicContact CD1-CD1 4.04Å; Y470-L483 HydrophobicContact CD1-CD2 3.58Å; Y470-L483 HydrophobicContact CD1-CG 4.49Å; Y470-L483 HydrophobicContact CD2-CD1 4.35Å; Y470-L483 HydrophobicContact CE1-CD1 4.13Å; Y470-L483 HydrophobicContact CE1-CD2 4.04Å; Y470-L483 HydrophobicContact CE2-CD1 4.44Å; Y470-L483 HydrophobicContact CG-CD1 4.16Å; Y470-L483 HydrophobicContact CG-CD2 4.2Å; N479-L483 PolarHBondContact O-N 2.91Å; L481-L483 VanDerWaalsContact C-N 3.29Å; L481-L483 PolarHBondContact O-N 3.37Å; L483-I487 HydrophobicContact CD1-CD1 3.99Å; L483-I487 HydrophobicContact CD1-CG1 4.3Å; L483-I487 HydrophobicContact CG-CD1 3.93Å; L483-I487 WeakPolarHBondContact O-CD1 3.49Å; L483-I487 WeakPolarHBondContact O-CG1 3.43Å; L483-I487 PolarHBondContact O-N 2.9Å
484	L	96.5	Very high	94.1	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-46.5	176.6	-79.7	171.6	0	0	0	111.6	L463 L464 V467 L480 L481 I487 H488 L514 L522	L463-L484 HydrophobicContact CB-CD2 3.71Å; L464-L484 HydrophobicContact CD2-CD2 4Å; V467-L484 HydrophobicContact CG2-CD2 3.79Å; V467-L484 HydrophobicContact CG2-CG 4.28Å; L480-L484 HydrophobicContact CD1-CD1 4.18Å; L480-L484 HydrophobicContact CD1-CG 4.13Å; L480-L484 HydrophobicContact CG-CD1 3.94Å; L480-L484 HydrophobicContact CG-CG 4.36Å; L480-L484 WeakPolarHBondContact O-CB 3.49Å; L480-L484 VanDerWaalsContact O-CG 3.25Å; L480-L484 WeakPolarHBondContact O-CG 2.85Å; L480-L484 PolarHBondContact O-N 2.75Å; L481-L484 PolarHBondContact O-N 3.48Å; L484-I487 PolarHBondContact O-N 3.43Å; L484-H488 VanDerWaalsContact O-CB 3.3Å; L484-H488 WeakPolarHBondContact O-CB 3.31Å; L484-H488 PolarHBondContact O-N 3.46Å; L484-L514 HydrophobicContact CD1-CD2 4.44Å; L484-L522 HydrophobicContact CD1-CD1 3.95Å
485	M	96.7	Very high	94.6	Very high	62 Å²	62	70.5 Å²	70.5	31%	0.305	34%	0.342	S	S	.	.	H	α-helix	trans	-69.3	-40.4	-179.4	-66.6	-51.9	-55.6	0	0	111.7	L481 D482 I487 H488 D489 I511	L481-M485 HydrophobicContact CD1-CG 4.17Å; L481-M485 HydrophobicContact CG-CG 4.48Å; L481-M485 WeakPolarHBondContact O-CG 3.38Å; L481-M485 PolarHBondContact O-N 2.78Å; D482-M485 PolarHBondContact O-N 3.26Å; M485-I487 VanDerWaalsContact C-N 3.34Å; M485-I487 PolarHBondContact O-N 3.33Å; M485-H488 WeakPolarHBondContact O-CB 3.46Å; M485-H488 PolarHBondContact O-N 3.47Å; M485-D489 WeakPolarHBondContact O-CB 3.41Å; M485-D489 VanDerWaalsContact O-CG 3.24Å; M485-D489 PolarHBondContact O-N 2.86Å; M485-I511 HydrophobicContact SD-CD1 4.01Å
486	Q	95.3	Very high	95	Very high	115 Å²	115	63.9 Å²	63.9	54%	0.537	33%	0.333	S	S	.	.	H	α-helix	trans	-58.3	-46	174.8	-177	-177.3	8.9	0	0	111.7	D482 T490	D482-Q486 WeakPolarHBondContact O-CB 3.45Å; D482-Q486 PolarHBondContact O-N 2.99Å; Q486-T490 WeakPolarHBondContact O-CB 3.43Å; Q486-T490 PolarHBondContact O-N 2.93Å; Q486-T490 PolarHBondContact O-OG1 3.41Å
487	I	95.8	Very high	95.1	Very high	38 Å²	38	59.4 Å²	59.4	20%	0.195	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-42	177.4	-64	165.2	0	0	0	110.3	L463 A466 V467 L483 L484 M485 Y491	L463-I487 HydrophobicContact CD2-CB 4.22Å; L463-I487 HydrophobicContact CD2-CG2 3.67Å; A466-I487 HydrophobicContact CB-CD1 4.05Å; A466-I487 HydrophobicContact CB-CG2 3.83Å; V467-I487 HydrophobicContact CG2-CD1 3.82Å; L483-I487 HydrophobicContact CD1-CD1 3.99Å; L483-I487 HydrophobicContact CD1-CG1 4.3Å; L483-I487 HydrophobicContact CG-CD1 3.93Å; L483-I487 WeakPolarHBondContact O-CD1 3.49Å; L483-I487 WeakPolarHBondContact O-CG1 3.43Å; L483-I487 PolarHBondContact O-N 2.9Å; L484-I487 PolarHBondContact O-N 3.43Å; M485-I487 VanDerWaalsContact C-N 3.34Å; M485-I487 PolarHBondContact O-N 3.33Å; I487-Y491 WeakPolarHBondContact O-CB 3.3Å; I487-Y491 PolarHBondContact O-N 3.08Å
488	H	97	Very high	95	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.019	35%	0.347	C	S	.	.	H	α-helix	trans	-59	-52.4	177.4	174.2	82.4	0	0	0	111.9	H459 L463 L484 M485 Y491 L492 L507	H459-H488 AromaticContact CD2-ND1 3.59Å; H459-H488 AromaticContact NE2-CE1 3.76Å; H459-H488 AromaticContact NE2-ND1 3.07Å; H459-H488 PolarHBondContact NE2-ND1 2.83Å; L463-H488 HydrophobicContact CD1-CB 3.98Å; L463-H488 HydrophobicContact CD2-CB 4.08Å; L484-H488 VanDerWaalsContact O-CB 3.3Å; L484-H488 WeakPolarHBondContact O-CB 3.31Å; L484-H488 PolarHBondContact O-N 3.46Å; M485-H488 WeakPolarHBondContact O-CB 3.46Å; M485-H488 PolarHBondContact O-N 3.47Å; H488-Y491 PolarHBondContact O-N 2.71Å; H488-L492 VanDerWaalsContact NE2-CD1 3.29Å; H488-L492 WeakPolarHBondContact NE2-CD1 3.47Å; H488-L492 WeakPolarHBondContact O-CG 3.43Å; H488-L492 PolarHBondContact O-N 3.25Å; H488-L507 WeakPolarHBondContact CE1-CD2 3.47Å; H488-L507 WeakPolarHBondContact ND1-CD2 3.29Å
489	D	96.8	Very high	95.2	Very high	76 Å²	76	64.6 Å²	64.6	41%	0.406	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-45.7	-178.2	-66.9	-23	0	0	0	110.7	M485 Y491 L492 E493	M485-D489 WeakPolarHBondContact O-CB 3.41Å; M485-D489 VanDerWaalsContact O-CG 3.24Å; M485-D489 PolarHBondContact O-N 2.86Å; D489-Y491 VanDerWaalsContact C-N 3.32Å; D489-Y491 PolarHBondContact O-N 2.76Å; D489-L492 PolarHBondContact O-N 3.36Å; D489-E493 WeakPolarHBondContact O-CG 3.39Å; D489-E493 PolarHBondContact O-N 2.89Å
490	T	96	Very high	95.1	Very high	56 Å²	56	67.4 Å²	67.4	34%	0.344	35%	0.348	S	S	.	.	H	α-helix	trans	-58.2	-44.2	176	-54.8	0	0	0	0	111.3	Q486 L492 E493 E494	Q486-T490 WeakPolarHBondContact O-CB 3.43Å; Q486-T490 PolarHBondContact O-N 2.93Å; Q486-T490 PolarHBondContact O-OG1 3.41Å; T490-L492 PolarHBondContact O-N 2.88Å; T490-E493 PolarHBondContact O-N 3.42Å; T490-E494 HydrophobicContact CG2-CG 4.28Å; T490-E494 WeakPolarHBondContact O-CB 3.03Å; T490-E494 WeakPolarHBondContact O-CG 3.43Å; T490-E494 PolarHBondContact O-N 2.84Å
491	Y	96	Very high	95	Very high	98 Å²	98	71.5 Å²	71.5	38%	0.384	37%	0.374	S	S	.	.	H	α-helix	trans	-62	-43.5	177.9	170.6	-90.2	0	0	0	112.3	H459 I487 H488 D489 N495	H459-Y491 AromaticContact CE1-CD1 3.29Å; H459-Y491 WeakPolarHBondContact CE1-CD1 3.3Å; H459-Y491 AromaticContact CE1-CE1 3.53Å; H459-Y491 AromaticContact CE1-CG 3.85Å; H459-Y491 AromaticContact ND1-CE1 3.9Å; I487-Y491 WeakPolarHBondContact O-CB 3.3Å; I487-Y491 PolarHBondContact O-N 3.08Å; H488-Y491 PolarHBondContact O-N 2.71Å; D489-Y491 VanDerWaalsContact C-N 3.32Å; D489-Y491 PolarHBondContact O-N 2.76Å; Y491-N495 WeakPolarHBondContact CD2-ND2 3.37Å; Y491-N495 WeakPolarHBondContact CE2-ND2 3.32Å; Y491-N495 WeakPolarHBondContact O-CB 3.37Å; Y491-N495 PolarHBondContact O-N 2.86Å; Y491-N495 VanDerWaalsContact O-N 3.14Å; Y491-N495 PolarHBondContact O-ND2 3.06Å
492	L	95.8	Very high	94.9	Very high	27 Å²	27	72.8 Å²	72.8	14%	0.141	38%	0.383	C	S	.	.	H	α-helix	trans	-64.2	-42.8	178.5	-69.8	-173.2	0	0	0	111.4	H488 D489 T490 G496 T497 F499	H488-L492 VanDerWaalsContact NE2-CD1 3.29Å; H488-L492 WeakPolarHBondContact NE2-CD1 3.47Å; H488-L492 WeakPolarHBondContact O-CG 3.43Å; H488-L492 PolarHBondContact O-N 3.25Å; D489-L492 PolarHBondContact O-N 3.36Å; T490-L492 PolarHBondContact O-N 2.88Å; L492-G496 PolarHBondContact O-N 2.8Å; L492-G496 VanDerWaalsContact O-N 3.09Å; L492-T497 HydrophobicContact CD2-CG2 4.13Å; L492-T497 PolarHBondContact O-N 2.96Å; L492-T497 VanDerWaalsContact O-N 3.1Å; L492-F499 HydrophobicContact CD2-CD1 3.79Å; L492-F499 HydrophobicContact CD2-CE1 4Å
493	E	95.8	Very high	94.9	Very high	157 Å²	157	68.8 Å²	68.8	73%	0.734	36%	0.361	S	S	*	.	H	α-helix	trans	-61.9	-51.6	176.7	-72.7	-179.5	179.8	0	0	112	D489 T490 N495 G496	D489-E493 WeakPolarHBondContact O-CG 3.39Å; D489-E493 PolarHBondContact O-N 2.89Å; T490-E493 PolarHBondContact O-N 3.42Å; E493-N495 VanDerWaalsContact C-N 3.31Å; E493-N495 PolarHBondContact O-N 3.34Å; E493-G496 PolarHBondContact O-N 3.47Å
494	E	95.8	Very high	94.9	Very high	156 Å²	156	71.2 Å²	71.2	73%	0.729	37%	0.374	S	S	*	.	H	α-helix	trans	-65.3	-31.8	-177	-73.6	-174.3	168	0	0	113.4	T490	T490-E494 HydrophobicContact CG2-CG 4.28Å; T490-E494 WeakPolarHBondContact O-CB 3.03Å; T490-E494 WeakPolarHBondContact O-CG 3.43Å; T490-E494 PolarHBondContact O-N 2.84Å
495	N	94.4	Very high	94.8	Very high	89 Å²	89	72 Å²	72	48%	0.476	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	2.5	-177.7	-67	-86	0	0	0	113.4	Y491 E493 T497	Y491-N495 WeakPolarHBondContact CD2-ND2 3.37Å; Y491-N495 WeakPolarHBondContact CE2-ND2 3.32Å; Y491-N495 WeakPolarHBondContact O-CB 3.37Å; Y491-N495 PolarHBondContact O-N 2.86Å; Y491-N495 VanDerWaalsContact O-N 3.14Å; Y491-N495 PolarHBondContact O-ND2 3.06Å; E493-N495 VanDerWaalsContact C-N 3.31Å; E493-N495 PolarHBondContact O-N 3.34Å; N495-T497 PolarHBondContact O-N 2.97Å; N495-T497 PolarHBondContact O-OG1 3.26Å
496	G	92	Very high	94.8	Very high	70 Å²	70	69 Å²	69	72%	0.722	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	24.8	-175.6	0	0	0	0	0	113.6	L492 E493	L492-G496 PolarHBondContact O-N 2.8Å; L492-G496 VanDerWaalsContact O-N 3.09Å; E493-G496 PolarHBondContact O-N 3.47Å
497	T	89.4	Confident	94.9	Very high	49 Å²	49	63.9 Å²	63.9	30%	0.301	34%	0.339	S	S	.	.			trans	-93.9	146.6	-176.4	-61.6	0	0	0	0	109.3	L492 N495	L492-T497 HydrophobicContact CD2-CG2 4.13Å; L492-T497 PolarHBondContact O-N 2.96Å; L492-T497 VanDerWaalsContact O-N 3.1Å; N495-T497 PolarHBondContact O-N 2.97Å; N495-T497 PolarHBondContact O-OG1 3.26Å
498	K	92	Very high	94.8	Very high	189 Å²	189	63.9 Å²	63.9	82%	0.822	34%	0.343	S	S	*	.			trans	-129.1	133.1	172.6	-65.7	-173.2	179	-175.1	0	109.9
499	F	94.4	Very high	94.8	Very high	18 Å²	18	64.2 Å²	64.2	8%	0.079	34%	0.344	C	S	.	.			trans	-79.9	133.4	169.7	-83.9	27.6	0	0	0	108.9	V456 H459 L492 E503 N504	V456-F499 HydrophobicContact CG1-CE2 4.42Å; V456-F499 HydrophobicContact CG2-CE2 4.06Å; H459-F499 HydrophobicContact CB-CZ 3.97Å; H459-F499 AromaticContact CD2-CE2 3.75Å; H459-F499 AromaticContact CD2-CZ 3.4Å; H459-F499 WeakPolarHBondContact CD2-CZ 3.35Å; H459-F499 AromaticContact CG-CZ 3.66Å; L492-F499 HydrophobicContact CD2-CD1 3.79Å; L492-F499 HydrophobicContact CD2-CE1 4Å; F499-E503 VanDerWaalsContact CA-OE2 3.26Å; F499-E503 WeakPolarHBondContact CA-OE2 3.17Å; F499-E503 HydrophobicContact CB-CB 3.81Å; F499-E503 HydrophobicContact CD2-CB 3.67Å; F499-E503 HydrophobicContact CE2-CB 4.4Å; F499-E503 HydrophobicContact CG-CB 3.83Å; F499-N504 WeakPolarHBondContact CB-OD1 3.34Å; F499-N504 PolarHBondContact O-ND2 2.86Å; F499-N504 VanDerWaalsContact O-ND2 3.12Å
500	N	93.9	Very high	94.7	Very high	85 Å²	85	61 Å²	61	46%	0.455	33%	0.327	S	S	.	.			trans	-73	175.6	171.2	69.8	45.4	0	0	0	110.9	T502 E503 N504	N500-T502 PolarHBondContact O-N 2.85Å; N500-T502 WeakPolarHBondContact OD1-CB 3.13Å; N500-T502 PolarHBondContact OD1-N 3.13Å; N500-E503 PolarHBondContact N-OE2 2.88Å; N500-E503 PolarHBondContact ND2-OE2 3.28Å; N500-E503 PolarHBondContact O-N 3Å; N500-E503 WeakPolarHBondContact OD1-CG 3.31Å; N500-E503 PolarHBondContact OD1-N 2.93Å; N500-N504 PolarHBondContact O-N 2.93Å; N500-N504 PolarHBondContact O-ND2 3.3Å
501	T	94.1	Very high	94.7	Very high	86 Å²	86	58.6 Å²	58.6	53%	0.528	31%	0.311	S	S	.	.	H	α-helix	trans	-54.5	-49.7	-178.6	-51.6	0	0	0	0	112.4	E503 N504 E505	T501-E503 VanDerWaalsContact C-N 3.33Å; T501-E503 PolarHBondContact O-N 3.16Å; T501-N504 PolarHBondContact O-N 3.45Å; T501-E505 HydrophobicContact CG2-CG 4.5Å; T501-E505 WeakPolarHBondContact O-CG 3.41Å; T501-E505 PolarHBondContact O-N 2.98Å
502	T	93.3	Very high	94.6	Very high	53 Å²	53	54 Å²	54	33%	0.325	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-39.9	179.6	-53.4	0	0	0	0	112.1	N500 N504 E505 L506	N500-T502 PolarHBondContact O-N 2.85Å; N500-T502 WeakPolarHBondContact OD1-CB 3.13Å; N500-T502 PolarHBondContact OD1-N 3.13Å; T502-N504 PolarHBondContact O-N 2.97Å; T502-E505 PolarHBondContact O-N 2.94Å; T502-L506 HydrophobicContact CG2-CD1 4.27Å; T502-L506 WeakPolarHBondContact O-CB 3.48Å; T502-L506 VanDerWaalsContact O-CG 3.29Å; T502-L506 WeakPolarHBondContact O-CG 3.36Å; T502-L506 PolarHBondContact O-N 3.29Å
503	E	95.7	Very high	94.6	Very high	12 Å²	12	53.5 Å²	53.5	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-66.3	-36.5	177.9	-68.5	172.8	146.8	0	0	112.2	K455 V456 F499 N500 T501 L507	K455-E503 WeakPolarHBondContact CD-OE1 3.32Å; K455-E503 WeakPolarHBondContact CE-OE1 3.49Å; K455-E503 IonicContact NZ-OE1 3.77Å; K455-E503 PolarHBondContact NZ-OE1 3.19Å; K455-E503 IonicContact NZ-OE2 3.19Å; V456-E503 HydrophobicContact CG2-CB 3.88Å; V456-E503 HydrophobicContact CG2-CG 3.99Å; F499-E503 VanDerWaalsContact CA-OE2 3.26Å; F499-E503 WeakPolarHBondContact CA-OE2 3.17Å; F499-E503 HydrophobicContact CB-CB 3.81Å; F499-E503 HydrophobicContact CD2-CB 3.67Å; F499-E503 HydrophobicContact CE2-CB 4.4Å; F499-E503 HydrophobicContact CG-CB 3.83Å; N500-E503 PolarHBondContact N-OE2 2.88Å; N500-E503 PolarHBondContact ND2-OE2 3.28Å; N500-E503 PolarHBondContact O-N 3Å; N500-E503 WeakPolarHBondContact OD1-CG 3.31Å; N500-E503 PolarHBondContact OD1-N 2.93Å; T501-E503 VanDerWaalsContact C-N 3.33Å; T501-E503 PolarHBondContact O-N 3.16Å; E503-L507 PolarHBondContact O-N 3.23Å
504	N	95.5	Very high	94.6	Very high	55 Å²	55	46.5 Å²	46.5	29%	0.294	26%	0.259	S	S	.	.	H	α-helix	trans	-69.6	-38.8	174	-70.7	-51	0	0	0	112.4	F499 N500 T501 T502 L507 S508	F499-N504 WeakPolarHBondContact CB-OD1 3.34Å; F499-N504 PolarHBondContact O-ND2 2.86Å; F499-N504 VanDerWaalsContact O-ND2 3.12Å; N500-N504 PolarHBondContact O-N 2.93Å; N500-N504 PolarHBondContact O-ND2 3.3Å; T501-N504 PolarHBondContact O-N 3.45Å; T502-N504 PolarHBondContact O-N 2.97Å; N504-L507 PolarHBondContact O-N 3.46Å; N504-S508 WeakPolarHBondContact O-CB 3.33Å; N504-S508 PolarHBondContact O-N 3.09Å; N504-S508 PolarHBondContact O-OG 3.47Å
505	E	95.9	Very high	94.5	Very high	17 Å²	17	39.1 Å²	39.1	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-40.1	174.9	-67.2	172.4	161.1	0	0	110.9	T501 T502 S508 F509 V655 S657 V658	T501-E505 HydrophobicContact CG2-CG 4.5Å; T501-E505 WeakPolarHBondContact O-CG 3.41Å; T501-E505 PolarHBondContact O-N 2.98Å; T502-E505 PolarHBondContact O-N 2.94Å; E505-S508 WeakPolarHBondContact O-CB 3.36Å; E505-S508 PolarHBondContact O-N 2.75Å; E505-F509 PolarHBondContact O-N 2.99Å; E505-V655 HydrophobicContact CB-CG1 3.63Å; E505-S657 WeakPolarHBondContact OE1-CA 3.21Å; E505-S657 WeakPolarHBondContact OE1-CB 3.46Å; E505-S657 PolarHBondContact OE1-OG 3.37Å; E505-V658 HydrophobicContact CG-CG1 3.57Å; E505-V658 PolarHBondContact OE1-N 3.47Å
506	L	96	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-41.9	173.1	-75.9	169.6	0	0	0	112.6	L440 V448 A452 V456 T502 S508 F509 H510 V655	L440-L506 HydrophobicContact CD1-CD2 4.01Å; V448-L506 HydrophobicContact CG1-CD1 3.75Å; V448-L506 HydrophobicContact CG1-CD2 3.85Å; V448-L506 HydrophobicContact CG1-CG 4.33Å; V448-L506 HydrophobicContact CG2-CD2 4.03Å; A452-L506 HydrophobicContact CB-CD1 4.15Å; V456-L506 HydrophobicContact CB-CB 4.05Å; V456-L506 HydrophobicContact CB-CD1 4.46Å; V456-L506 HydrophobicContact CG1-CB 3.76Å; V456-L506 HydrophobicContact CG2-CB 4.11Å; V456-L506 HydrophobicContact CG2-CD1 4.13Å; T502-L506 HydrophobicContact CG2-CD1 4.27Å; T502-L506 WeakPolarHBondContact O-CB 3.48Å; T502-L506 VanDerWaalsContact O-CG 3.29Å; T502-L506 WeakPolarHBondContact O-CG 3.36Å; T502-L506 PolarHBondContact O-N 3.29Å; L506-S508 VanDerWaalsContact C-N 3.27Å; L506-S508 PolarHBondContact O-N 3.32Å; L506-F509 WeakPolarHBondContact O-CB 3.44Å; L506-F509 PolarHBondContact O-N 2.98Å; L506-H510 PolarHBondContact O-CD2 3.46Å; L506-H510 PolarHBondContact O-N 2.89Å; L506-H510 VanDerWaalsContact O-N 3.08Å; L506-V655 HydrophobicContact CD2-CG1 4.23Å; L506-V655 HydrophobicContact CD2-CG2 3.68Å; L506-V655 HydrophobicContact CG-CG1 4.4Å
507	L	96.4	Very high	94.5	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-41.7	174.7	179.8	62.1	0	0	0	110.6	V456 F460 L463 H488 E503 N504 F509 H510 I511	V456-L507 HydrophobicContact CG1-CB 4.05Å; F460-L507 HydrophobicContact CB-CD1 4.22Å; F460-L507 HydrophobicContact CD2-CD1 3.98Å; L463-L507 HydrophobicContact CD1-CD1 4.22Å; H488-L507 WeakPolarHBondContact CE1-CD2 3.47Å; H488-L507 WeakPolarHBondContact ND1-CD2 3.29Å; E503-L507 PolarHBondContact O-N 3.23Å; N504-L507 PolarHBondContact O-N 3.46Å; L507-F509 VanDerWaalsContact C-N 3.33Å; L507-F509 PolarHBondContact O-N 3.43Å; L507-H510 PolarHBondContact O-N 3.03Å; L507-I511 HydrophobicContact CG-CD1 4.21Å; L507-I511 WeakPolarHBondContact O-CG1 3.09Å; L507-I511 PolarHBondContact O-N 2.86Å
508	S	95.4	Very high	94.6	Very high	39 Å²	39	33.5 Å²	33.5	27%	0.273	18%	0.177	S	C	.	.	H	α-helix	trans	-62.6	-38.1	175.9	-58.1	0	0	0	0	112.4	N504 E505 L506 I511 S512	N504-S508 WeakPolarHBondContact O-CB 3.33Å; N504-S508 PolarHBondContact O-N 3.09Å; N504-S508 PolarHBondContact O-OG 3.47Å; E505-S508 WeakPolarHBondContact O-CB 3.36Å; E505-S508 PolarHBondContact O-N 2.75Å; L506-S508 VanDerWaalsContact C-N 3.27Å; L506-S508 PolarHBondContact O-N 3.32Å; S508-I511 PolarHBondContact O-N 2.91Å; S508-S512 WeakPolarHBondContact O-CB 3.26Å; S508-S512 PolarHBondContact O-N 2.64Å
509	F	95.6	Very high	94.6	Very high	10 Å²	10	24.6 Å²	24.6	4%	0.044	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-46.2	172.2	169.4	-86.8	0	0	0	111.8	L440 E505 L506 L507 S512 N513 N654 V655 N666 V667	L440-F509 HydrophobicContact CD1-CD1 4.36Å; L440-F509 HydrophobicContact CD1-CE1 4.06Å; L440-F509 HydrophobicContact CD1-CZ 4.46Å; L440-F509 HydrophobicContact CD2-CE1 3.77Å; L440-F509 HydrophobicContact CD2-CE2 3.94Å; L440-F509 HydrophobicContact CD2-CZ 3.37Å; E505-F509 PolarHBondContact O-N 2.99Å; L506-F509 WeakPolarHBondContact O-CB 3.44Å; L506-F509 PolarHBondContact O-N 2.98Å; L507-F509 VanDerWaalsContact C-N 3.33Å; L507-F509 PolarHBondContact O-N 3.43Å; F509-S512 PolarHBondContact O-N 2.97Å; F509-N513 PolarHBondContact O-N 2.86Å; F509-N654 WeakPolarHBondContact CD2-O 3.43Å; F509-V655 HydrophobicContact CB-CG2 4.49Å; F509-V655 HydrophobicContact CD2-CG2 4.28Å; F509-V655 HydrophobicContact CG-CG2 4.43Å; F509-N666 WeakPolarHBondContact CD2-OD1 3.28Å; F509-N666 WeakPolarHBondContact CE2-OD1 3.43Å; F509-N666 WeakPolarHBondContact CZ-OD1 3.48Å; F509-N666 PolarHBondContact O-ND2 3.2Å; F509-N666 VanDerWaalsContact O-ND2 3.13Å; F509-V667 HydrophobicContact CE2-CG2 4.42Å; F509-V667 HydrophobicContact CZ-CG2 4.33Å
510	H	96	Very high	94.6	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-66.3	-41.1	178.2	-71.8	-66.6	0	0	0	112.8	F460 L506 L507 S512 N513 L514	F460-H510 HydrophobicContact CB-CB 4.26Å; F460-H510 HydrophobicContact CD1-CB 3.81Å; F460-H510 HydrophobicContact CD2-CB 3.72Å; F460-H510 HydrophobicContact CE1-CB 4.02Å; F460-H510 HydrophobicContact CE2-CB 3.94Å; F460-H510 HydrophobicContact CG-CB 3.64Å; F460-H510 HydrophobicContact CZ-CB 4.07Å; L506-H510 PolarHBondContact O-CD2 3.46Å; L506-H510 PolarHBondContact O-N 2.89Å; L506-H510 VanDerWaalsContact O-N 3.08Å; L507-H510 PolarHBondContact O-N 3.03Å; H510-S512 VanDerWaalsContact C-N 3.31Å; H510-S512 PolarHBondContact O-N 3.36Å; H510-N513 PolarHBondContact O-N 2.93Å; H510-L514 PolarHBondContact O-N 3.41Å; H510-L514 VanDerWaalsContact O-N 3.07Å
511	I	95.9	Very high	94.6	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-57.3	-47.6	172.6	-70.2	168.9	0	0	0	109.8	F460 L481 M485 L507 S508 N513 L514 E515 L522	F460-I511 HydrophobicContact CE2-CG1 4.24Å; L481-I511 HydrophobicContact CD1-CD1 4.43Å; L481-I511 HydrophobicContact CD1-CG2 4.02Å; M485-I511 HydrophobicContact SD-CD1 4.01Å; L507-I511 HydrophobicContact CG-CD1 4.21Å; L507-I511 WeakPolarHBondContact O-CG1 3.09Å; L507-I511 PolarHBondContact O-N 2.86Å; S508-I511 PolarHBondContact O-N 2.91Å; I511-N513 PolarHBondContact O-N 3.17Å; I511-L514 WeakPolarHBondContact O-CA 3.41Å; I511-L514 WeakPolarHBondContact O-CB 3.45Å; I511-L514 PolarHBondContact O-N 3.29Å; I511-L514 VanDerWaalsContact O-N 3.08Å; I511-E515 WeakPolarHBondContact O-CG 3.42Å; I511-E515 PolarHBondContact O-N 2.95Å; I511-L522 HydrophobicContact CG2-CD1 3.94Å; I511-L522 HydrophobicContact CG2-CG 4.49Å
512	S	94.5	Very high	94.7	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-65.3	-34.6	178.7	170.4	0	0	0	0	113.4	S508 F509 H510 L514 E515 Y516 G663 N666	S508-S512 WeakPolarHBondContact O-CB 3.26Å; S508-S512 PolarHBondContact O-N 2.64Å; F509-S512 PolarHBondContact O-N 2.97Å; H510-S512 VanDerWaalsContact C-N 3.31Å; H510-S512 PolarHBondContact O-N 3.36Å; S512-L514 PolarHBondContact O-N 3.08Å; S512-E515 WeakPolarHBondContact O-CB 3.45Å; S512-E515 PolarHBondContact O-N 2.77Å; S512-Y516 PolarHBondContact O-N 2.85Å; S512-G663 WeakPolarHBondContact OG-CA 3.38Å; S512-N666 WeakPolarHBondContact CB-ND2 3.45Å; S512-N666 PolarHBondContact OG-ND2 3.2Å
513	N	94.6	Very high	94.8	Very high	17 Å²	17	18 Å²	18	9%	0.091	10%	0.102	C	C	.	.	H	α-helix	trans	-66.5	-28.8	173.7	-170.3	26.4	0	0	0	111.7	M1 F509 H510 I511 Y516 S517	M1-N513 PolarHBondContact N-OD1 3.28Å; M1-N513 PolarHBondContact O-ND2 3.39Å; F509-N513 PolarHBondContact O-N 2.86Å; H510-N513 PolarHBondContact O-N 2.93Å; I511-N513 PolarHBondContact O-N 3.17Å; N513-Y516 WeakPolarHBondContact O-CB 3.19Å; N513-S517 PolarHBondContact O-N 2.85Å; N513-S517 VanDerWaalsContact O-N 3.11Å; N513-S517 PolarHBondContact O-OG 3.36Å
514	L	95	Very high	94.8	Very high	10 Å²	10	22.6 Å²	22.6	5%	0.052	12%	0.122	C	C	.	.	H	α-helix	trans	-74.4	-38.7	171.3	-172.2	56.2	0	0	0	111.6	F460 L464 L480 L484 H510 I511 S512 Y516 S517 C518 L522 W530	F460-L514 HydrophobicContact CZ-CB 4.28Å; F460-L514 HydrophobicContact CZ-CD2 4.09Å; L464-L514 HydrophobicContact CD2-CD2 4.11Å; L480-L514 HydrophobicContact CD2-CD2 3.85Å; L484-L514 HydrophobicContact CD1-CD2 4.44Å; H510-L514 PolarHBondContact O-N 3.41Å; H510-L514 VanDerWaalsContact O-N 3.07Å; I511-L514 WeakPolarHBondContact O-CA 3.41Å; I511-L514 WeakPolarHBondContact O-CB 3.45Å; I511-L514 PolarHBondContact O-N 3.29Å; I511-L514 VanDerWaalsContact O-N 3.08Å; S512-L514 PolarHBondContact O-N 3.08Å; L514-Y516 VanDerWaalsContact C-N 3.31Å; L514-Y516 PolarHBondContact O-N 2.76Å; L514-S517 WeakPolarHBondContact O-CB 3.42Å; L514-S517 PolarHBondContact O-N 2.74Å; L514-C518 PolarHBondContact O-N 2.87Å; L514-L522 HydrophobicContact CB-CD1 4.25Å; L514-L522 HydrophobicContact CB-CD2 4.49Å; L514-L522 HydrophobicContact CD2-CD1 3.81Å; L514-L522 HydrophobicContact CD2-CD2 4.47Å; L514-L522 HydrophobicContact CG-CD1 4.1Å; L514-L522 HydrophobicContact CG-CD2 4.04Å; L514-W530 HydrophobicContact CD1-CE3 3.95Å; L514-W530 HydrophobicContact CD1-CH2 4.04Å; L514-W530 HydrophobicContact CD1-CZ3 3.54Å
515	E	94.9	Very high	94.8	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-41.4	170.8	-66.7	-179.4	137.9	0	0	112.1	I511 S512 S517 C518 G519 A520 S521 L522 R662	I511-E515 WeakPolarHBondContact O-CG 3.42Å; I511-E515 PolarHBondContact O-N 2.95Å; S512-E515 WeakPolarHBondContact O-CB 3.45Å; S512-E515 PolarHBondContact O-N 2.77Å; E515-S517 VanDerWaalsContact C-N 3.34Å; E515-C518 PolarHBondContact O-N 2.77Å; E515-G519 WeakPolarHBondContact O-CA 3.43Å; E515-G519 PolarHBondContact O-N 2.9Å; E515-A520 VanDerWaalsContact CA-O 3.31Å; E515-A520 WeakPolarHBondContact CA-O 3.4Å; E515-A520 WeakPolarHBondContact CB-O 3.48Å; E515-A520 PolarHBondContact O-N 2.8Å; E515-A520 VanDerWaalsContact O-N 3.15Å; E515-S521 WeakPolarHBondContact OE1-CA 3.45Å; E515-S521 PolarHBondContact OE1-OG 2.72Å; E515-L522 HydrophobicContact CG-CD2 3.88Å; E515-L522 HydrophobicContact CG-CG 3.61Å; E515-L522 PolarHBondContact OE1-N 3.3Å; E515-R662 VanDerWaalsContact CD-NE 3.34Å; E515-R662 IonicContact OE1-CZ 2.75Å; E515-R662 IonicContact OE1-NE 3.41Å; E515-R662 PolarHBondContact OE1-NE 2.97Å; E515-R662 IonicContact OE1-NH2 3.82Å; E515-R662 PolarHBondContact OE1-NH2 3.2Å; E515-R662 IonicContact OE2-CZ 3.2Å; E515-R662 IonicContact OE2-NE 2.72Å; E515-R662 PolarHBondContact OE2-NE 2.89Å; E515-R662 IonicContact OE2-NH2 2.95Å
516	Y	93	Very high	94.9	Very high	39 Å²	39	19.2 Å²	19.2	15%	0.153	11%	0.105	C	C	.	.	H	α-helix	trans	-56.4	-50.1	170.1	162.7	-104.6	0	0	0	110.4	S512 N513 L514 C518 G519 L630 Y689 S691 Y744	S512-Y516 PolarHBondContact O-N 2.85Å; N513-Y516 WeakPolarHBondContact O-CB 3.19Å; L514-Y516 VanDerWaalsContact C-N 3.31Å; L514-Y516 PolarHBondContact O-N 2.76Å; Y516-C518 VanDerWaalsContact C-N 3.32Å; Y516-C518 PolarHBondContact O-N 3.22Å; Y516-G519 PolarHBondContact O-N 3.34Å; Y516-G519 VanDerWaalsContact O-N 3.08Å; Y516-L630 HydrophobicContact CD2-CD1 3.48Å; Y516-L630 VanDerWaalsContact CD2-CD1 3.48Å; Y516-L630 HydrophobicContact CE2-CD1 3.59Å; Y516-Y689 HydrophobicContact CD2-CG 4.31Å; Y516-Y689 AromaticContact CE2-CD1 3.56Å; Y516-Y689 HydrophobicContact CE2-CD1 3.56Å; Y516-Y689 HydrophobicContact CE2-CD2 4.32Å; Y516-Y689 HydrophobicContact CE2-CE1 4.32Å; Y516-Y689 AromaticContact CE2-CG 3.57Å; Y516-Y689 HydrophobicContact CE2-CG 3.57Å; Y516-S691 WeakPolarHBondContact CA-OG 3.4Å; Y516-S691 PolarHBondContact N-OG 3.28Å; Y516-Y744 PolarHBondContact O-OH 3.25Å
517	S	92.1	Very high	94.8	Very high	44 Å²	44	19.2 Å²	19.2	31%	0.308	11%	0.105	S	C	.	.	H	α-helix	trans	-62.7	-37.1	-178.4	-56.1	0	0	0	0	112.3	N513 L514 E515 Q774	N513-S517 PolarHBondContact O-N 2.85Å; N513-S517 VanDerWaalsContact O-N 3.11Å; N513-S517 PolarHBondContact O-OG 3.36Å; L514-S517 WeakPolarHBondContact O-CB 3.42Å; L514-S517 PolarHBondContact O-N 2.74Å; E515-S517 VanDerWaalsContact C-N 3.34Å; S517-Q774 PolarHBondContact O-NE2 3.11Å; S517-Q774 PolarHBondContact O-OE1 3.12Å
518	C	92.7	Very high	94.7	Very high	8 Å²	8	20.5 Å²	20.5	5%	0.054	11%	0.111	C	C	.	.	H	α-helix	trans	-79.8	-22.1	174.5	-65.1	0	0	0	0	113.4	L514 E515 Y516 A520 V525 Y746	L514-C518 PolarHBondContact O-N 2.87Å; E515-C518 PolarHBondContact O-N 2.77Å; Y516-C518 VanDerWaalsContact C-N 3.32Å; Y516-C518 PolarHBondContact O-N 3.22Å; C518-A520 PolarHBondContact O-N 3.07Å; C518-V525 HydrophobicContact CB-CG2 3.87Å; C518-Y746 WeakPolarHBondContact O-CB 3.1Å
519	G	92.1	Very high	94.6	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.01	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	22.1	-171.1	0	0	0	0	0	112.7	E515 Y516 G628 K629 Y744	E515-G519 WeakPolarHBondContact O-CA 3.43Å; E515-G519 PolarHBondContact O-N 2.9Å; Y516-G519 PolarHBondContact O-N 3.34Å; Y516-G519 VanDerWaalsContact O-N 3.08Å; G519-G628 CarbonylContact O-C 3.53Å; G519-G628 VanDerWaalsContact O-C 3.29Å; G519-G628 WeakPolarHBondContact O-CA 3.28Å; G519-K629 PolarHBondContact O-N 3.34Å; G519-Y744 VanDerWaalsContact CA-CE2 3.5Å
520	A	94.2	Very high	94.4	Very high	9 Å²	9	22.5 Å²	22.5	7%	0.074	11%	0.114	C	C	.	.	S	Bend	trans	-155.3	155	-175.6	0	0	0	0	0	110.5	E515 C518 V525 Y746	E515-A520 VanDerWaalsContact CA-O 3.31Å; E515-A520 WeakPolarHBondContact CA-O 3.4Å; E515-A520 WeakPolarHBondContact CB-O 3.48Å; E515-A520 PolarHBondContact O-N 2.8Å; E515-A520 VanDerWaalsContact O-N 3.15Å; C518-A520 PolarHBondContact O-N 3.07Å; A520-V525 HydrophobicContact CB-CG2 4.07Å; A520-Y746 HydrophobicContact CB-CD1 3.76Å; A520-Y746 HydrophobicContact CB-CD2 4.2Å; A520-Y746 HydrophobicContact CB-CE1 3.47Å; A520-Y746 VanDerWaalsContact CB-CE1 3.47Å; A520-Y746 HydrophobicContact CB-CE2 3.95Å; A520-Y746 HydrophobicContact CB-CG 4.12Å
521	S	94.4	Very high	94.3	Very high	23 Å²	23	22.7 Å²	22.7	16%	0.161	12%	0.117	C	C	.	.			trans	-62.9	139.5	168.9	171.4	0	0	0	0	110.2	E515 D523 K524	E515-S521 WeakPolarHBondContact OE1-CA 3.45Å; E515-S521 PolarHBondContact OE1-OG 2.72Å; S521-D523 WeakPolarHBondContact CB-OD1 3.41Å; S521-D523 PolarHBondContact O-N 2.91Å; S521-D523 VanDerWaalsContact OG-CG 3.29Å; S521-D523 PolarHBondContact OG-OD1 3.26Å; S521-K524 PolarHBondContact O-N 2.82Å; S521-K524 VanDerWaalsContact O-N 3.08Å
522	L	95.6	Very high	94.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.2	-172.7	-61.9	-166.3	0	0	0	113.5	L480 L481 L484 I511 L514 E515 K524 V525	L480-L522 HydrophobicContact CB-CB 4.4Å; L480-L522 HydrophobicContact CD2-CD1 4.29Å; L480-L522 HydrophobicContact CD2-CD2 4.27Å; L480-L522 HydrophobicContact CG-CD1 4.38Å; L480-L522 PolarHBondContact N-O 2.76Å; L481-L522 HydrophobicContact CB-CB 3.75Å; L481-L522 HydrophobicContact CD1-CB 4.48Å; L481-L522 PolarHBondContact N-O 2.82Å; L484-L522 HydrophobicContact CD1-CD1 3.95Å; I511-L522 HydrophobicContact CG2-CD1 3.94Å; I511-L522 HydrophobicContact CG2-CG 4.49Å; L514-L522 HydrophobicContact CB-CD1 4.25Å; L514-L522 HydrophobicContact CB-CD2 4.49Å; L514-L522 HydrophobicContact CD2-CD1 3.81Å; L514-L522 HydrophobicContact CD2-CD2 4.47Å; L514-L522 HydrophobicContact CG-CD1 4.1Å; L514-L522 HydrophobicContact CG-CD2 4.04Å; E515-L522 HydrophobicContact CG-CD2 3.88Å; E515-L522 HydrophobicContact CG-CG 3.61Å; E515-L522 PolarHBondContact OE1-N 3.3Å; L522-K524 PolarHBondContact O-N 2.72Å; L522-V525 HydrophobicContact CD2-CB 4.49Å; L522-V525 HydrophobicContact CD2-CG2 4.23Å; L522-V525 PolarHBondContact O-N 3.27Å
523	D	95.2	Very high	94	Very high	73 Å²	73	24 Å²	24	39%	0.39	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.3	171.2	71.6	-30.4	0	0	0	113.5	N479 L481 S521	N479-D523 VanDerWaalsContact CB-C 3.46Å; N479-D523 WeakPolarHBondContact CB-O 3.23Å; L481-D523 HydrophobicContact CD2-CB 4.42Å; S521-D523 WeakPolarHBondContact CB-OD1 3.41Å; S521-D523 PolarHBondContact O-N 2.91Å; S521-D523 VanDerWaalsContact OG-CG 3.29Å; S521-D523 PolarHBondContact OG-OD1 3.26Å
524	K	95.6	Very high	93.7	Very high	108 Å²	108	27.2 Å²	27.2	47%	0.47	14%	0.138	S	C	.	.	S	Bend	trans	-110	-13.4	177.4	-66.2	166.4	-168	172.4	0	113.2	S521 L522 Y746 K748 V749	S521-K524 PolarHBondContact O-N 2.82Å; S521-K524 VanDerWaalsContact O-N 3.08Å; L522-K524 PolarHBondContact O-N 2.72Å; K524-Y746 HydrophobicContact CB-CE2 4.31Å; K524-K748 WeakPolarHBondContact O-CA 3.37Å; K524-V749 PolarHBondContact O-N 3.17Å
525	V	96.5	Very high	93.5	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-88.9	134	-173	178.3	0	0	0	0	109.7	N479 L480 C518 A520 L522 S527 W530 Y746	N479-V525 WeakPolarHBondContact CA-O 3.37Å; L480-V525 HydrophobicContact CB-CB 4.49Å; L480-V525 HydrophobicContact CD2-CG1 4.4Å; L480-V525 PolarHBondContact N-O 3.05Å; C518-V525 HydrophobicContact CB-CG2 3.87Å; A520-V525 HydrophobicContact CB-CG2 4.07Å; L522-V525 HydrophobicContact CD2-CB 4.49Å; L522-V525 HydrophobicContact CD2-CG2 4.23Å; L522-V525 PolarHBondContact O-N 3.27Å; V525-S527 PolarHBondContact O-N 3.48Å; V525-W530 HydrophobicContact CG1-CB 3.47Å; V525-W530 VanDerWaalsContact CG1-CB 3.47Å; V525-Y746 HydrophobicContact CB-CD2 4.47Å; V525-Y746 HydrophobicContact CG2-CD2 3.79Å; V525-Y746 HydrophobicContact CG2-CE2 3.98Å
526	S	96.6	Very high	93.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-56.8	124.7	177	172.4	0	0	0	0	111.9	D477 I528 H529 W530 I747 K748	D477-S526 PolarHBondContact OD1-OG 3.43Å; D477-S526 VanDerWaalsContact OD1-OG 3.08Å; D477-S526 WeakPolarHBondContact OD2-CB 3.46Å; D477-S526 PolarHBondContact OD2-OG 2.62Å; S526-I528 PolarHBondContact O-N 3.25Å; S526-I528 PolarHBondContact OG-N 3.11Å; S526-H529 PolarHBondContact OG-N 2.88Å; S526-W530 VanDerWaalsContact O-CB 3.3Å; S526-W530 WeakPolarHBondContact O-CB 3.4Å; S526-W530 PolarHBondContact O-N 2.92Å; S526-I747 PolarHBondContact N-O 3Å; S526-K748 WeakPolarHBondContact CB-O 3.22Å
527	S	94.6	Very high	93.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-33	171.4	67	0	0	0	0	111.4	R471 D477 N478 V525	R471-S527 VanDerWaalsContact CZ-O 3.23Å; R471-S527 PolarHBondContact NE-O 3.12Å; R471-S527 PolarHBondContact NH2-O 2.86Å; D477-S527 PolarHBondContact OD1-N 3.46Å; D477-S527 VanDerWaalsContact OD1-N 3.08Å; D477-S527 PolarHBondContact OD1-OG 2.96Å; N478-S527 PolarHBondContact N-OG 2.8Å; N478-S527 WeakPolarHBondContact O-CB 3.38Å; N478-S527 PolarHBondContact O-N 3.06Å; N478-S527 PolarHBondContact O-OG 3.33Å; V525-S527 PolarHBondContact O-N 3.48Å
528	I	93.5	Very high	93.3	Very high	33 Å²	33	37 Å²	37	17%	0.169	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-33.6	-174.8	-59.3	178.1	0	0	0	114	R471 A474 D477 S526	R471-I528 WeakPolarHBondContact CD-O 3.23Å; R471-I528 HydrophobicContact CG-CG1 4.48Å; R471-I528 HydrophobicContact CG-CG2 4.49Å; R471-I528 VanDerWaalsContact CZ-C 3.48Å; R471-I528 PolarHBondContact NE-O 3.01Å; R471-I528 PolarHBondContact NH2-O 3.16Å; R471-I528 VanDerWaalsContact NH2-O 3.09Å; A474-I528 HydrophobicContact CB-CD1 3.92Å; A474-I528 HydrophobicContact CB-CG1 4.43Å; D477-I528 HydrophobicContact CB-CD1 3.87Å; D477-I528 HydrophobicContact CB-CG1 4.3Å; D477-I528 WeakPolarHBondContact OD1-CG1 3.46Å; D477-I528 PolarHBondContact OD1-N 2.8Å; D477-I528 VanDerWaalsContact OD1-N 3.09Å; S526-I528 PolarHBondContact O-N 3.25Å; S526-I528 PolarHBondContact OG-N 3.11Å
529	H	93.4	Very high	93.4	Very high	51 Å²	51	37.7 Å²	37.7	24%	0.236	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	6.6	-167.4	-63.8	-64.4	0	0	0	114.7	S526 S531 Q532 I747 A751	S526-H529 PolarHBondContact OG-N 2.88Å; H529-S531 PolarHBondContact O-N 3.07Å; H529-S531 VanDerWaalsContact O-N 3.14Å; H529-Q532 HydrophobicContact CB-CB 4.42Å; H529-Q532 VanDerWaalsContact O-CB 3.24Å; H529-Q532 WeakPolarHBondContact O-CB 3.4Å; H529-Q532 VanDerWaalsContact O-CG 3.29Å; H529-Q532 WeakPolarHBondContact O-CG 3.44Å; H529-Q532 PolarHBondContact O-N 2.95Å; H529-Q532 VanDerWaalsContact O-N 3.12Å; H529-I747 HydrophobicContact CB-CB 4.34Å; H529-I747 HydrophobicContact CB-CG2 3.67Å; H529-A751 PolarHBondContact CD2-O 3.37Å; H529-A751 VanDerWaalsContact CD2-O 3.24Å
530	W	92.9	Very high	93.5	Very high	39 Å²	39	39.3 Å²	39.3	15%	0.148	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.6	-178.4	74.9	-101.6	0	0	0	114.8	L6 L464 L480 L514 V525 S526	L6-W530 HydrophobicContact CD2-CH2 4.34Å; L464-W530 HydrophobicContact CD2-CZ2 3.89Å; L480-W530 HydrophobicContact CD2-CB 4.1Å; L480-W530 HydrophobicContact CD2-CD2 3.98Å; L480-W530 HydrophobicContact CD2-CG 3.61Å; L514-W530 HydrophobicContact CD1-CE3 3.95Å; L514-W530 HydrophobicContact CD1-CH2 4.04Å; L514-W530 HydrophobicContact CD1-CZ3 3.54Å; V525-W530 HydrophobicContact CG1-CB 3.47Å; V525-W530 VanDerWaalsContact CG1-CB 3.47Å; S526-W530 VanDerWaalsContact O-CB 3.3Å; S526-W530 WeakPolarHBondContact O-CB 3.4Å; S526-W530 PolarHBondContact O-N 2.92Å
531	S	92.2	Very high	93.4	Very high	13 Å²	13	40.8 Å²	40.8	9%	0.091	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	23.3	-178.8	58.7	0	0	0	0	112.8	R471 H529 N533 E534	R471-S531 PolarHBondContact NH1-OG 3.42Å; H529-S531 PolarHBondContact O-N 3.07Å; H529-S531 VanDerWaalsContact O-N 3.14Å; S531-N533 PolarHBondContact O-N 3.19Å; S531-E534 WeakPolarHBondContact O-CB 3.33Å; S531-E534 PolarHBondContact O-N 2.85Å
532	Q	92.4	Very high	93.4	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.028	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-52.1	-30	-173	63.4	74.2	18.4	0	0	114.5	H529 E534 Q535 I747 R770	H529-Q532 HydrophobicContact CB-CB 4.42Å; H529-Q532 VanDerWaalsContact O-CB 3.24Å; H529-Q532 WeakPolarHBondContact O-CB 3.4Å; H529-Q532 VanDerWaalsContact O-CG 3.29Å; H529-Q532 WeakPolarHBondContact O-CG 3.44Å; H529-Q532 PolarHBondContact O-N 2.95Å; H529-Q532 VanDerWaalsContact O-N 3.12Å; Q532-E534 VanDerWaalsContact C-N 3.26Å; Q532-E534 PolarHBondContact O-N 2.96Å; Q532-Q535 WeakPolarHBondContact O-CB 3.43Å; Q532-Q535 WeakPolarHBondContact O-CG 3.5Å; Q532-Q535 PolarHBondContact O-N 2.74Å; Q532-I747 HydrophobicContact CG-CD1 4.5Å; Q532-I747 HydrophobicContact CG-CG1 4.01Å; Q532-R770 PolarHBondContact NE2-O 3.35Å
533	N	91.6	Very high	93.3	Very high	27 Å²	27	46.1 Å²	46.1	14%	0.144	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-70.6	-24.6	-176.5	58.5	-60.5	0	0	0	111.9	S531 Q535 F536 Q538 P773	S531-N533 PolarHBondContact O-N 3.19Å; N533-Q535 PolarHBondContact O-N 3.42Å; N533-F536 WeakPolarHBondContact O-CB 3.49Å; N533-F536 PolarHBondContact O-N 2.78Å; N533-Q538 PolarHBondContact ND2-OE1 3.43Å; N533-Q538 PolarHBondContact O-NE2 3.23Å; N533-P773 HydrophobicContact CB-CG 4.04Å
534	E	90.2	Very high	93.4	Very high	85 Å²	85	42.6 Å²	42.6	40%	0.397	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-71.3	-8	178.9	-59.4	-168	161.4	0	0	113.4	L6 S531 Q532 F536	L6-E534 VanDerWaalsContact CD2-OE1 3.31Å; L6-E534 WeakPolarHBondContact CD2-OE1 3.14Å; L6-E534 WeakPolarHBondContact CD2-OE2 3.07Å; S531-E534 WeakPolarHBondContact O-CB 3.33Å; S531-E534 PolarHBondContact O-N 2.85Å; Q532-E534 VanDerWaalsContact C-N 3.26Å; Q532-E534 PolarHBondContact O-N 2.96Å; E534-F536 PolarHBondContact O-N 2.8Å
535	Q	89.1	Confident	93.3	Very high	139 Å²	139	37.7 Å²	37.7	65%	0.65	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-63.6	-20.6	164.3	-63.7	179.7	-5.6	0	0	112	Q532 N533	Q532-Q535 WeakPolarHBondContact O-CB 3.43Å; Q532-Q535 WeakPolarHBondContact O-CG 3.5Å; Q532-Q535 PolarHBondContact O-N 2.74Å; N533-Q535 PolarHBondContact O-N 3.42Å
536	F	91	Very high	93.3	Very high	70 Å²	70	37.6 Å²	37.6	31%	0.307	19%	0.194	S	C	.	.	S	Bend	trans	-106.8	149.4	174.5	-51.9	-83.6	0	0	0	110.6	N533 E534 Q538 R770 Q771	N533-F536 WeakPolarHBondContact O-CB 3.49Å; N533-F536 PolarHBondContact O-N 2.78Å; E534-F536 PolarHBondContact O-N 2.8Å; F536-Q538 PolarHBondContact O-N 2.88Å; F536-Q538 PolarHBondContact O-NE2 3.1Å; F536-Q538 VanDerWaalsContact O-NE2 3.13Å; F536-R770 HydrophobicContact CE2-CB 4.49Å; F536-R770 HydrophobicContact CE2-CG 3.94Å; F536-Q771 HydrophobicContact CB-CB 4.37Å; F536-Q771 HydrophobicContact CB-CG 4.05Å; F536-Q771 HydrophobicContact CD1-CG 3.99Å; F536-Q771 HydrophobicContact CD2-CG 4.13Å; F536-Q771 HydrophobicContact CE1-CG 4.49Å; F536-Q771 HydrophobicContact CG-CB 4.45Å; F536-Q771 HydrophobicContact CG-CG 3.78Å
537	A	92.3	Very high	93	Very high	32 Å²	32	40 Å²	40	26%	0.264	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-54.1	119.7	172.9	0	0	0	0	0	111.7	G255 F772	G255-A537 VanDerWaalsContact C-CB 3.43Å; A537-F772 WeakPolarHBondContact O-CE1 3.35Å
538	Q	93.9	Very high	92.9	Very high	58 Å²	58	41.7 Å²	41.7	27%	0.271	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-92.4	166.3	-179.8	-63.5	-59.1	-66	0	0	112	A257 N533 F536 A540 Q771	A257-Q538 VanDerWaalsContact CB-C 3.49Å; A257-Q538 PolarHBondContact N-O 3.04Å; N533-Q538 PolarHBondContact ND2-OE1 3.43Å; N533-Q538 PolarHBondContact O-NE2 3.23Å; F536-Q538 PolarHBondContact O-N 2.88Å; F536-Q538 PolarHBondContact O-NE2 3.1Å; F536-Q538 VanDerWaalsContact O-NE2 3.13Å; Q538-A540 PolarHBondContact O-N 3.04Å; Q538-Q771 PolarHBondContact NE2-O 2.65Å; Q538-Q771 PolarHBondContact OE1-O 2.96Å
539	F	94.9	Very high	92.9	Very high	23 Å²	23	40.1 Å²	40.1	10%	0.101	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-65.9	126.8	174.8	-70.3	-75	0	0	0	110.8	A257 L258 T413 N418 F772 T777 V781	A257-F539 HydrophobicContact CB-CB 4.42Å; A257-F539 HydrophobicContact CB-CD1 3.57Å; A257-F539 HydrophobicContact CB-CD2 4.15Å; A257-F539 HydrophobicContact CB-CE1 3.71Å; A257-F539 HydrophobicContact CB-CE2 4.27Å; A257-F539 HydrophobicContact CB-CG 3.8Å; A257-F539 HydrophobicContact CB-CZ 4.06Å; L258-F539 HydrophobicContact CD1-CE1 3.81Å; L258-F539 HydrophobicContact CD1-CZ 3.94Å; L258-F539 HydrophobicContact CG-CE1 4.04Å; L258-F539 HydrophobicContact CG-CZ 4.22Å; T413-F539 WeakPolarHBondContact O-CB 3.35Å; N418-F539 HydrophobicContact CB-CD1 4.1Å; N418-F539 HydrophobicContact CB-CE1 4.39Å; F539-F772 AromaticContact CD2-CD1 3.87Å; F539-F772 HydrophobicContact CD2-CD1 3.87Å; F539-F772 HydrophobicContact CD2-CE1 4.1Å; F539-F772 HydrophobicContact CD2-CG 4.34Å; F539-F772 HydrophobicContact CE2-CB 4.28Å; F539-F772 AromaticContact CE2-CD1 3.57Å; F539-F772 HydrophobicContact CE2-CD1 3.57Å; F539-F772 AromaticContact CE2-CD2 3.91Å; F539-F772 HydrophobicContact CE2-CD2 3.91Å; F539-F772 AromaticContact CE2-CE1 3.83Å; F539-F772 HydrophobicContact CE2-CE1 3.83Å; F539-F772 HydrophobicContact CE2-CE2 4.14Å; F539-F772 AromaticContact CE2-CG 3.63Å; F539-F772 HydrophobicContact CE2-CG 3.63Å; F539-F772 HydrophobicContact CE2-CZ 4.11Å; F539-F772 HydrophobicContact CZ-CD1 4.48Å; F539-F772 HydrophobicContact CZ-CD2 4.28Å; F539-F772 HydrophobicContact CZ-CE1 4.4Å; F539-F772 HydrophobicContact CZ-CE2 4.19Å; F539-F772 HydrophobicContact CZ-CG 4.44Å; F539-F772 HydrophobicContact CZ-CZ 4.26Å; F539-T777 HydrophobicContact CD2-CG2 4.18Å; F539-T777 HydrophobicContact CE1-CG2 4.29Å; F539-T777 HydrophobicContact CE2-CG2 3.48Å; F539-T777 VanDerWaalsContact CE2-CG2 3.48Å; F539-T777 HydrophobicContact CZ-CG2 3.56Å; F539-V781 HydrophobicContact CZ-CG2 4.46Å
540	A	93.6	Very high	93	Very high	36 Å²	36	37.7 Å²	37.7	30%	0.298	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-98	-175.8	-176.1	0	0	0	0	0	112.2	R256 G414 I415 V416 Q538	R256-A540 HydrophobicContact CB-CB 4.15Å; G414-A540 CarbonylContact C-O 3.56Å; G414-A540 WeakPolarHBondContact CA-O 3.45Å; I415-A540 PolarHBondContact N-O 3.09Å; I415-A540 VanDerWaalsContact N-O 3.13Å; V416-A540 HydrophobicContact CB-CB 4.2Å; V416-A540 WeakPolarHBondContact CB-O 3.41Å; V416-A540 PolarHBondContact N-O 3.11Å; Q538-A540 PolarHBondContact O-N 3.04Å
541	G	92.6	Very high	93.2	Very high	40 Å²	40	37 Å²	37	41%	0.412	20%	0.202	S	C	.	.	S	Bend	trans	81.1	-169.4	177.8	0	0	0	0	0	113.9	R3	R3-G541 PolarHBondContact NH2-O 2.66Å
542	R	93.1	Very high	93.4	Very high	101 Å²	101	38 Å²	38	38%	0.381	21%	0.209	S	C	.	.			trans	-67.9	150.2	-179	-63.8	-176.6	73.3	-177.4	1.7	111.5	G414 I415 P433 L434	G414-R542 WeakPolarHBondContact CA-O 3.44Å; I415-R542 HydrophobicContact CD1-CB 4.35Å; I415-R542 WeakPolarHBondContact CG2-O 3.47Å; I415-R542 PolarHBondContact N-O 2.67Å; P433-R542 HydrophobicContact CB-CB 4.23Å; L434-R542 PolarHBondContact O-NE 3.29Å; L434-R542 PolarHBondContact O-NH2 2.9Å
543	H	94.7	Very high	93.6	Very high	33 Å²	33	37.7 Å²	37.7	15%	0.153	21%	0.207	C	C	.	.			trans	-82.4	152.4	164.6	-58.3	-39.4	0	0	0	107.1	R3 I412 T413 G414 P433 L434	R3-H543 PolarHBondContact NE-CD2 3.2Å; R3-H543 PolarHBondContact NE-NE2 3.06Å; R3-H543 VanDerWaalsContact NE-NE2 3.19Å; R3-H543 PolarHBondContact NH2-CD2 2.86Å; R3-H543 PolarHBondContact NH2-ND1 3.26Å; I412-H543 CarbonylContact O-C 3.57Å; I412-H543 WeakPolarHBondContact O-CA 3.4Å; T413-H543 WeakPolarHBondContact CA-ND1 3.32Å; G414-H543 PolarHBondContact N-ND1 3.21Å; P433-H543 WeakPolarHBondContact CA-O 3.38Å; L434-H543 PolarHBondContact N-O 2.84Å
544	A	95.9	Very high	93.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.4	-178.9	0	0	0	0	0	112.2	L411 I412 I415 Y431 R432	L411-A544 CarbonylContact C-O 3.08Å; L411-A544 WeakPolarHBondContact CA-O 3.38Å; I412-A544 HydrophobicContact CB-CB 4.27Å; I412-A544 HydrophobicContact CD1-CB 4.32Å; I412-A544 PolarHBondContact N-O 3.24Å; I412-A544 PolarHBondContact O-N 3.44Å; I415-A544 HydrophobicContact CG2-CB 3.95Å; Y431-A544 HydrophobicContact CD2-CB 3.51Å; Y431-A544 HydrophobicContact CE2-CB 4.24Å; Y431-A544 HydrophobicContact CG-CB 4.24Å; R432-A544 CarbonylContact O-C 3.47Å; R432-A544 VanDerWaalsContact O-CA 3.22Å; R432-A544 WeakPolarHBondContact O-CA 3.48Å
545	L	95.4	Very high	94.2	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.9	169.3	176.5	67.4	0	0	0	110	Q410 L411 Y431 R432 L434 T547 F671	Q410-L545 HydrophobicContact CB-CD1 4.44Å; Q410-L545 HydrophobicContact CG-CD1 3.98Å; L411-L545 HydrophobicContact CD2-CB 4.34Å; L411-L545 HydrophobicContact CD2-CD1 3.96Å; Y431-L545 CarbonylContact C-O 3.36Å; Y431-L545 WeakPolarHBondContact CA-O 3.39Å; Y431-L545 WeakPolarHBondContact CB-O 3.33Å; R432-L545 PolarHBondContact N-O 2.89Å; R432-L545 PolarHBondContact O-N 3.41Å; L434-L545 HydrophobicContact CD2-CB 3.96Å; L545-T547 PolarHBondContact O-N 3.06Å; L545-F671 HydrophobicContact CD1-CD1 4.4Å; L545-F671 HydrophobicContact CD1-CD2 4.11Å; L545-F671 HydrophobicContact CD1-CE1 4.02Å; L545-F671 HydrophobicContact CD1-CE2 3.63Å; L545-F671 HydrophobicContact CD1-CG 4.47Å; L545-F671 HydrophobicContact CD1-CZ 3.58Å; L545-F671 HydrophobicContact CD2-CD2 3.84Å; L545-F671 HydrophobicContact CD2-CE2 4.16Å; L545-F671 HydrophobicContact CD2-CG 4.13Å
546	M	94.9	Very high	94.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.			trans	-76.1	90	173.2	-76.3	-57.6	-61.5	0	0	111.5	Q410 I412 F420 C424 Y431 S548 G549	Q410-M546 HydrophobicContact CG-CB 3.96Å; Q410-M546 PolarHBondContact NE2-O 2.93Å; Q410-M546 PolarHBondContact O-N 3.49Å; I412-M546 HydrophobicContact CD1-CG 3.95Å; I412-M546 HydrophobicContact CD1-SD 3.44Å; I412-M546 WeakPolarHBondContact CD1-SD 3.41Å; I412-M546 HydrophobicContact CG1-CG 3.95Å; I412-M546 HydrophobicContact CG1-SD 4.13Å; F420-M546 HydrophobicContact CD1-SD 4.36Å; F420-M546 HydrophobicContact CE1-CE 3.89Å; F420-M546 HydrophobicContact CE1-CG 3.76Å; F420-M546 HydrophobicContact CE1-SD 3.72Å; C424-M546 WeakPolarHBondContact SG-CE 3.45Å; Y431-M546 HydrophobicContact CG-SD 4.47Å; M546-S548 PolarHBondContact O-N 3.23Å; M546-G549 PolarHBondContact O-N 3.29Å
547	T	91.8	Very high	94.9	Very high	49 Å²	49	32 Å²	32	30%	0.301	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-30.3	-178.6	46.7	0	0	0	0	113.4	K430 R432 L545 G549	K430-T547 PolarHBondContact O-OG1 2.92Å; R432-T547 HydrophobicContact CB-CG2 3.87Å; L545-T547 PolarHBondContact O-N 3.06Å; T547-G549 VanDerWaalsContact C-N 3.26Å; T547-G549 PolarHBondContact O-N 2.94Å
548	S	91.1	Very high	95.2	Very high	36 Å²	36	31 Å²	31	25%	0.252	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	3.2	175.9	-59.6	0	0	0	0	114.1	K430 M546 S552	K430-S548 PolarHBondContact N-OG 3.29Å; K430-S548 PolarHBondContact O-N 3.19Å; K430-S548 PolarHBondContact O-OG 3.46Å; M546-S548 PolarHBondContact O-N 3.23Å; S548-S552 PolarHBondContact O-OG 3.34Å
549	G	93	Very high	95.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.			trans	77.8	146.6	-171.6	0	0	0	0	0	113.7	D397 M546 T547	D397-G549 WeakPolarHBondContact OD2-CA 3.29Å; M546-G549 PolarHBondContact O-N 3.29Å; T547-G549 VanDerWaalsContact C-N 3.26Å; T547-G549 PolarHBondContact O-N 2.94Å
550	C	96.4	Very high	95.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-76.9	-27.4	173.8	-71.9	0	0	0	0	112.1	I395 D397 G409 F420 S552 I553 I554	I395-C550 HydrophobicContact CB-CB 4.47Å; I395-C550 HydrophobicContact CD1-CB 4.34Å; I395-C550 HydrophobicContact CG1-CB 4.35Å; I395-C550 HydrophobicContact CG2-CB 3.37Å; D397-C550 PolarHBondContact OD2-N 3.44Å; G409-C550 PolarHBondContact O-SG 3.43Å; F420-C550 HydrophobicContact CZ-CB 4.16Å; C550-S552 PolarHBondContact O-N 3.01Å; C550-I553 WeakPolarHBondContact O-CB 3.35Å; C550-I553 PolarHBondContact O-N 3.14Å; C550-I554 PolarHBondContact O-N 2.91Å
551	S	96.8	Very high	95.6	Very high	25 Å²	25	34.9 Å²	34.9	18%	0.175	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-32	177	-73.3	0	0	0	0	112.1	D397 I553 I554 D555	D397-S551 PolarHBondContact N-OG 2.82Å; D397-S551 WeakPolarHBondContact OD2-CB 3.28Å; D397-S551 PolarHBondContact OD2-N 2.74Å; D397-S551 PolarHBondContact OD2-OG 3.34Å; S551-I553 PolarHBondContact O-N 2.79Å; S551-I554 WeakPolarHBondContact O-CA 3.29Å; S551-I554 WeakPolarHBondContact O-CB 3.24Å; S551-I554 PolarHBondContact O-N 3.5Å; S551-D555 PolarHBondContact O-N 2.89Å
552	S	95.9	Very high	95.8	Very high	33 Å²	33	35.9 Å²	35.9	23%	0.231	20%	0.199	C	C	.	.	H	α-helix	trans	-57.3	-32.5	174	-63.6	0	0	0	0	113.7	S548 C550 R556	S548-S552 PolarHBondContact O-OG 3.34Å; C550-S552 PolarHBondContact O-N 3.01Å; S552-R556 WeakPolarHBondContact O-CD 3.26Å; S552-R556 VanDerWaalsContact O-CG 3.26Å; S552-R556 WeakPolarHBondContact O-CG 3.44Å
553	I	97.4	Very high	96.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-77.1	-40.8	173.9	-69.5	-65.8	0	0	0	110.6	I342 F420 M423 A427 L429 C550 S551 D555 R556 L557	I342-I553 HydrophobicContact CD1-CD1 3.65Å; I342-I553 HydrophobicContact CD1-CG2 4.41Å; F420-I553 HydrophobicContact CE1-CG1 4.31Å; F420-I553 HydrophobicContact CE2-CB 4.21Å; F420-I553 HydrophobicContact CE2-CG1 4.31Å; F420-I553 HydrophobicContact CE2-CG2 3.89Å; F420-I553 HydrophobicContact CZ-CB 4.12Å; F420-I553 HydrophobicContact CZ-CG1 3.86Å; F420-I553 HydrophobicContact CZ-CG2 4.29Å; M423-I553 HydrophobicContact CB-CD1 3.98Å; M423-I553 HydrophobicContact CE-CG2 3.55Å; M423-I553 HydrophobicContact SD-CG2 4.25Å; A427-I553 HydrophobicContact CB-CD1 4.14Å; L429-I553 HydrophobicContact CD1-CD1 3.59Å; L429-I553 HydrophobicContact CD1-CG1 3.89Å; C550-I553 WeakPolarHBondContact O-CB 3.35Å; C550-I553 PolarHBondContact O-N 3.14Å; S551-I553 PolarHBondContact O-N 2.79Å; I553-D555 PolarHBondContact O-N 2.86Å; I553-R556 PolarHBondContact O-N 3.39Å; I553-L557 HydrophobicContact CG2-CD1 4.04Å; I553-L557 HydrophobicContact CG2-CG 4.41Å; I553-L557 WeakPolarHBondContact O-CG 2.79Å; I553-L557 PolarHBondContact O-N 3.35Å
554	I	98	Very high	96.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-47.4	178.6	-64.6	-64.1	0	0	0	110.8	I366 L369 I391 I395 C550 S551 R556 L557 A558	I366-I554 HydrophobicContact CB-CD1 3.85Å; I366-I554 HydrophobicContact CG1-CD1 4.12Å; L369-I554 HydrophobicContact CD1-CB 4.44Å; L369-I554 HydrophobicContact CD1-CD1 4.07Å; L369-I554 HydrophobicContact CD1-CG2 3.61Å; I391-I554 HydrophobicContact CB-CG2 4.36Å; I391-I554 HydrophobicContact CD1-CG2 3.7Å; I391-I554 HydrophobicContact CG1-CG2 3.78Å; I395-I554 HydrophobicContact CB-CD1 4.38Å; I395-I554 HydrophobicContact CB-CG1 4.09Å; I395-I554 HydrophobicContact CD1-CD1 3.81Å; I395-I554 HydrophobicContact CD1-CG1 4.15Å; I395-I554 HydrophobicContact CG2-CD1 4.44Å; I395-I554 HydrophobicContact CG2-CG1 3.67Å; C550-I554 PolarHBondContact O-N 2.91Å; S551-I554 WeakPolarHBondContact O-CA 3.29Å; S551-I554 WeakPolarHBondContact O-CB 3.24Å; S551-I554 PolarHBondContact O-N 3.5Å; I554-R556 VanDerWaalsContact C-N 3.31Å; I554-R556 PolarHBondContact O-N 3.42Å; I554-L557 PolarHBondContact O-N 3.14Å; I554-A558 WeakPolarHBondContact O-CB 3.5Å; I554-A558 PolarHBondContact O-N 2.89Å
555	D	97.3	Very high	96.4	Very high	92 Å²	92	37.5 Å²	37.5	49%	0.492	21%	0.213	S	C	.	.	H	α-helix	trans	-61.7	-40.2	179	-65.7	-28.4	0	0	0	111.8	S551 I553 A558 N559	S551-D555 PolarHBondContact O-N 2.89Å; I553-D555 PolarHBondContact O-N 2.86Å; D555-A558 PolarHBondContact O-N 3Å; D555-N559 PolarHBondContact O-N 3.38Å
556	R	97.3	Very high	96.5	Very high	107 Å²	107	45.2 Å²	45.2	40%	0.404	25%	0.247	S	C	.	.	H	α-helix	trans	-69.2	-39.9	177.3	-70.7	173.6	-173.7	-88.7	4.9	112.3	I342 R373 S552 I553 I554 A558 N559	I342-R556 HydrophobicContact CD1-CB 3.61Å; I342-R556 HydrophobicContact CD1-CG 4.43Å; I342-R556 HydrophobicContact CG1-CB 4.08Å; I342-R556 HydrophobicContact CG2-CB 3.97Å; R373-R556 PolarHBondContact NH2-O 3.21Å; S552-R556 WeakPolarHBondContact O-CD 3.26Å; S552-R556 VanDerWaalsContact O-CG 3.26Å; S552-R556 WeakPolarHBondContact O-CG 3.44Å; I553-R556 PolarHBondContact O-N 3.39Å; I554-R556 VanDerWaalsContact C-N 3.31Å; I554-R556 PolarHBondContact O-N 3.42Å; R556-A558 VanDerWaalsContact C-N 3.29Å; R556-A558 PolarHBondContact O-N 3.08Å; R556-N559 PolarHBondContact O-N 3.12Å
557	L	97.3	Very high	96.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-37.9	172.5	-75.7	173.8	0	0	0	111.3	I342 I366 L369 R373 M423 I553 I554 L561	I342-L557 HydrophobicContact CG1-CD2 4.19Å; I342-L557 HydrophobicContact CG1-CG 4.41Å; I366-L557 HydrophobicContact CG1-CD1 4.26Å; L369-L557 HydrophobicContact CB-CB 4.12Å; L369-L557 HydrophobicContact CB-CD1 4.49Å; R373-L557 HydrophobicContact CB-CD2 4.28Å; R373-L557 HydrophobicContact CG-CD2 4.26Å; R373-L557 VanDerWaalsContact CZ-O 3.3Å; R373-L557 PolarHBondContact NE-O 2.98Å; R373-L557 VanDerWaalsContact NE-O 3.15Å; R373-L557 PolarHBondContact NH2-O 3.43Å; M423-L557 HydrophobicContact CE-CD1 4.31Å; M423-L557 HydrophobicContact SD-CD1 4.13Å; M423-L557 HydrophobicContact SD-CD2 3.95Å; M423-L557 HydrophobicContact SD-CG 4.28Å; I553-L557 HydrophobicContact CG2-CD1 4.04Å; I553-L557 HydrophobicContact CG2-CG 4.41Å; I553-L557 WeakPolarHBondContact O-CG 2.79Å; I553-L557 PolarHBondContact O-N 3.35Å; I554-L557 PolarHBondContact O-N 3.14Å; L557-L561 VanDerWaalsContact O-CD1 3.22Å; L557-L561 WeakPolarHBondContact O-CD1 3.48Å
558	A	97.9	Very high	96.9	Very high	12 Å²	12	48.7 Å²	48.7	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-74.5	-24.7	-179.5	0	0	0	0	0	114.8	L369 I391 I554 D555 R556 G560 L561 I563	L369-A558 HydrophobicContact CD2-CB 3.96Å; I391-A558 HydrophobicContact CD1-CB 3.46Å; I391-A558 VanDerWaalsContact CD1-CB 3.46Å; I554-A558 WeakPolarHBondContact O-CB 3.5Å; I554-A558 PolarHBondContact O-N 2.89Å; D555-A558 PolarHBondContact O-N 3Å; R556-A558 VanDerWaalsContact C-N 3.29Å; R556-A558 PolarHBondContact O-N 3.08Å; A558-G560 PolarHBondContact O-N 2.82Å; A558-G560 VanDerWaalsContact O-N 3.15Å; A558-L561 WeakPolarHBondContact O-CB 3.19Å; A558-L561 PolarHBondContact O-N 3.14Å; A558-I563 HydrophobicContact CB-CD1 3.76Å
559	N	96.9	Very high	97.3	Very high	119 Å²	119	47.4 Å²	47.4	64%	0.636	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	116.5	-172.8	-174.7	-7.1	0	0	0	113.4	R373 D555 R556 L561	R373-N559 PolarHBondContact NH1-O 3.49Å; R373-N559 PolarHBondContact NH2-O 2.84Å; D555-N559 PolarHBondContact O-N 3.38Å; R556-N559 PolarHBondContact O-N 3.12Å; N559-L561 VanDerWaalsContact C-N 3.3Å; N559-L561 PolarHBondContact O-N 2.93Å
560	G	95.8	Very high	97.5	Very high	58 Å²	58	50 Å²	50	60%	0.598	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	8.6	179.8	0	0	0	0	0	114.8	Q376 A558	Q376-G560 PolarHBondContact NE2-O 2.88Å; A558-G560 PolarHBondContact O-N 2.82Å; A558-G560 VanDerWaalsContact O-N 3.15Å
561	L	97.5	Very high	97.6	Very high	20 Å²	20	53.4 Å²	53.4	11%	0.105	28%	0.277	C	S	.	.			trans	-84.5	150	167.1	-61	-177.1	0	0	0	111	L369 A372 Q376 I384 L557 A558 N559 I563	L369-L561 HydrophobicContact CD2-CD1 4.15Å; A372-L561 HydrophobicContact CB-CD1 3.66Å; A372-L561 HydrophobicContact CB-CD2 4.34Å; Q376-L561 HydrophobicContact CB-CD2 4.14Å; Q376-L561 HydrophobicContact CG-CD2 4.46Å; I384-L561 HydrophobicContact CD1-CD1 4.15Å; L557-L561 VanDerWaalsContact O-CD1 3.22Å; L557-L561 WeakPolarHBondContact O-CD1 3.48Å; A558-L561 WeakPolarHBondContact O-CB 3.19Å; A558-L561 PolarHBondContact O-N 3.14Å; N559-L561 VanDerWaalsContact C-N 3.3Å; N559-L561 PolarHBondContact O-N 2.93Å; L561-I563 HydrophobicContact CB-CD1 4.19Å; L561-I563 HydrophobicContact CB-CG1 3.96Å; L561-I563 PolarHBondContact O-N 3.25Å
562	N	98.3	Very high	97.7	Very high	61 Å²	61	52.3 Å²	52.3	33%	0.326	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	94.7	174.4	-177.4	9.4	0	0	0	110.3	M383 I384 K564	M383-N562 WeakPolarHBondContact CA-O 3.33Å; M383-N562 WeakPolarHBondContact CE-ND2 3.38Å; I384-N562 PolarHBondContact N-O 3.04Å; N562-K564 WeakPolarHBondContact OD1-CE 3.48Å; N562-K564 PolarHBondContact OD1-NZ 2.89Å; N562-K564 VanDerWaalsContact OD1-NZ 3.09Å
563	I	98.6	Very high	97.8	Very high	37 Å²	37	52.5 Å²	52.5	19%	0.19	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130	-176.5	-50.8	-179.2	0	0	0	109.9	A364 L369 I384 I391 A558 L561 L565	A364-I563 HydrophobicContact CB-CG2 4.35Å; L369-I563 HydrophobicContact CD2-CD1 3.82Å; I384-I563 HydrophobicContact CB-CG1 4.27Å; I384-I563 HydrophobicContact CB-CG2 4.29Å; I384-I563 HydrophobicContact CD1-CD1 4.29Å; I384-I563 HydrophobicContact CD1-CG1 4.06Å; I384-I563 HydrophobicContact CG1-CG1 4.35Å; I391-I563 HydrophobicContact CG2-CD1 4.16Å; I391-I563 HydrophobicContact CG2-CG2 4.11Å; A558-I563 HydrophobicContact CB-CD1 3.76Å; L561-I563 HydrophobicContact CB-CD1 4.19Å; L561-I563 HydrophobicContact CB-CG1 3.96Å; L561-I563 PolarHBondContact O-N 3.25Å; I563-L565 HydrophobicContact CG2-CD2 3.98Å
564	K	98.4	Very high	97.7	Very high	64 Å²	64	55 Å²	55	28%	0.278	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	103.9	173.6	-54.8	-56.8	178.7	-158	0	109.4	M383 I384 L385 E386 N562 H567	M383-K564 HydrophobicContact CG-CG 4.32Å; M383-K564 HydrophobicContact SD-CG 4.13Å; I384-K564 PolarHBondContact O-N 3.04Å; L385-K564 HydrophobicContact CD2-CB 3.79Å; L385-K564 HydrophobicContact CD2-CG 4.01Å; E386-K564 PolarHBondContact N-O 2.87Å; N562-K564 WeakPolarHBondContact OD1-CE 3.48Å; N562-K564 PolarHBondContact OD1-NZ 2.89Å; N562-K564 VanDerWaalsContact OD1-NZ 3.09Å; K564-H567 HydrophobicContact CB-CB 4.32Å
565	L	98.3	Very high	97.5	Very high	68 Å²	68	58.5 Å²	58.5	36%	0.356	30%	0.302	S	S	.	.	S	Bend	trans	-78.6	159	175.2	-57.2	175.7	0	0	0	110.9	E386 I391 I563 H567	E386-L565 HydrophobicContact CB-CD2 3.91Å; E386-L565 HydrophobicContact CG-CD2 3.87Å; E386-L565 CarbonylContact O-C 3.55Å; I391-L565 HydrophobicContact CG2-CD2 3.81Å; I563-L565 HydrophobicContact CG2-CD2 3.98Å; L565-H567 PolarHBondContact O-N 3.24Å; L565-H567 PolarHBondContact O-ND1 3.46Å
566	K	97.6	Very high	97	Very high	166 Å²	166	57.6 Å²	57.6	72%	0.722	31%	0.307	S	S	*	.	S	Bend	trans	56.2	35.7	-177.8	-53.8	-177.7	179.3	-179.1	0	113	E386 S387 K388	E386-K566 PolarHBondContact O-N 2.92Å; S387-K566 WeakPolarHBondContact O-CA 3.43Å; K388-K566 PolarHBondContact O-N 2.89Å
567	H	98.1	Very high	96.5	Very high	35 Å²	35	56.3 Å²	56.3	16%	0.162	33%	0.328	C	S	.	.			trans	-119.7	67.1	179	-78.1	67.6	0	0	0	109.1	L385 E386 K564 L565 V569 V583 R587 F589	L385-H567 HydrophobicContact CB-CB 4.36Å; L385-H567 HydrophobicContact CD2-CB 4.28Å; E386-H567 PolarHBondContact O-N 2.66Å; K564-H567 HydrophobicContact CB-CB 4.32Å; L565-H567 PolarHBondContact O-N 3.24Å; L565-H567 PolarHBondContact O-ND1 3.46Å; H567-V569 PolarHBondContact O-N 3.42Å; H567-V569 VanDerWaalsContact O-N 3.14Å; H567-V583 HydrophobicContact CB-CG1 4.13Å; H567-R587 PolarHBondContact NE2-NH1 2.91Å; H567-R587 VanDerWaalsContact NE2-NH1 3.19Å; H567-F589 AromaticContact CD2-CE2 3.72Å; H567-F589 AromaticContact CD2-CZ 3.53Å; H567-F589 AromaticContact NE2-CZ 3.88Å
568	R	98	Very high	96.3	Very high	87 Å²	87	62.2 Å²	62.2	33%	0.328	35%	0.35	S	S	.	.			trans	-61.8	113.3	177.6	-179.4	174.9	-77.4	-154.1	2.5	110	S387 V583 E584 D739	S387-R568 VanDerWaalsContact OG-CB 3.32Å; S387-R568 WeakPolarHBondContact OG-CB 3.4Å; S387-R568 WeakPolarHBondContact OG-CG 3.46Å; S387-R568 PolarHBondContact OG-NE 3.05Å; S387-R568 VanDerWaalsContact OG-NE 3.09Å; R568-V583 CarbonylContact O-C 3.58Å; R568-V583 WeakPolarHBondContact O-CA 3.5Å; R568-V583 WeakPolarHBondContact O-CB 3.46Å; R568-E584 HydrophobicContact CB-CB 4.27Å; R568-E584 PolarHBondContact O-N 3.07Å; R568-D739 IonicContact CZ-OD1 2.67Å; R568-D739 IonicContact NE-OD1 2.66Å; R568-D739 PolarHBondContact NE-OD1 2.88Å; R568-D739 IonicContact NH2-OD1 3.52Å; R568-D739 PolarHBondContact NH2-OD1 2.99Å; R568-D739 IonicContact NH2-OD2 3.27Å; R568-D739 PolarHBondContact NH2-OD2 3.01Å
569	V	98.5	Very high	96.3	Very high	9 Å²	9	62.3 Å²	62.3	6%	0.055	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.8	174.9	175.2	0	0	0	0	109.4	I362 L385 H567 I572 V581 S582 V583 I608	I362-V569 HydrophobicContact CD1-CB 4.32Å; I362-V569 HydrophobicContact CD1-CG1 3.98Å; I362-V569 HydrophobicContact CD1-CG2 4Å; I362-V569 HydrophobicContact CG1-CG2 4.07Å; I362-V569 HydrophobicContact CG2-CB 4.14Å; I362-V569 HydrophobicContact CG2-CG2 3.86Å; L385-V569 HydrophobicContact CB-CG2 4.15Å; L385-V569 HydrophobicContact CD1-CG2 3.8Å; H567-V569 PolarHBondContact O-N 3.42Å; H567-V569 VanDerWaalsContact O-N 3.14Å; V569-I572 HydrophobicContact CG1-CD1 4.47Å; V569-I572 HydrophobicContact CG1-CG1 3.95Å; V569-V581 HydrophobicContact CB-CG1 4.26Å; V569-V581 HydrophobicContact CG1-CG1 3.55Å; V569-V581 HydrophobicContact CG2-CG1 3.67Å; V569-S582 WeakPolarHBondContact CA-O 3.13Å; V569-V583 HydrophobicContact CG2-CG1 4.07Å; V569-I608 HydrophobicContact CG1-CD1 4.47Å; V569-I608 HydrophobicContact CG1-CG2 4.19Å
570	T	98.1	Very high	96.3	Very high	55 Å²	55	60 Å²	60	34%	0.337	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-21.7	178.4	55.1	0	0	0	0	112.5	S582 E584 E609	T570-S582 PolarHBondContact N-O 3.15Å; T570-S582 PolarHBondContact OG1-O 3.29Å; T570-E584 HydrophobicContact CG2-CB 4.25Å; T570-E609 PolarHBondContact O-N 3.41Å
571	K	98.4	Very high	96.5	Very high	71 Å²	71	57.2 Å²	57.2	31%	0.309	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	142.1	-178.7	172.7	171.6	49.9	-169.4	0	112.9	V581 S582 E609 I611	K571-V581 WeakPolarHBondContact O-CA 3.25Å; K571-S582 PolarHBondContact N-O 2.85Å; K571-S582 PolarHBondContact O-N 3.46Å; K571-E609 CarbonylContact C-O 3.46Å; K571-E609 VanDerWaalsContact CA-O 3.25Å; K571-E609 WeakPolarHBondContact CA-O 3.36Å; K571-E609 HydrophobicContact CB-CB 4.18Å; K571-E609 HydrophobicContact CG-CB 4.3Å; K571-I611 HydrophobicContact CD-CD1 3.64Å; K571-I611 HydrophobicContact CD-CG1 4.43Å; K571-I611 HydrophobicContact CG-CD1 4.27Å
572	I	98.3	Very high	96.5	Very high	1 Å²	1	57 Å²	57	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.3	175.1	-57.1	173.5	0	0	0	108.6	I362 V569 Y574 V579 V581 V594 V596 I608 E609 F610 I611	I362-I572 HydrophobicContact CD1-CD1 3.31Å; I362-I572 HydrophobicContact CD1-CG1 3.93Å; V569-I572 HydrophobicContact CG1-CD1 4.47Å; V569-I572 HydrophobicContact CG1-CG1 3.95Å; I572-Y574 HydrophobicContact CG2-CD1 4.15Å; I572-V579 HydrophobicContact CG2-CG1 3.81Å; I572-V581 HydrophobicContact CG1-CG1 4.44Å; I572-V581 HydrophobicContact CG1-CG2 4.25Å; I572-V581 HydrophobicContact CG2-CG2 4.24Å; I572-V594 HydrophobicContact CG2-CG1 4.05Å; I572-V596 HydrophobicContact CD1-CG2 3.75Å; I572-I608 HydrophobicContact CD1-CG2 3.78Å; I572-I608 HydrophobicContact CG1-CG2 3.79Å; I572-E609 PolarHBondContact N-O 3.39Å; I572-F610 HydrophobicContact CB-CD1 4.25Å; I572-F610 HydrophobicContact CB-CE1 4.49Å; I572-F610 HydrophobicContact CD1-CD1 4.3Å; I572-F610 HydrophobicContact CD1-CE1 3.71Å; I572-F610 HydrophobicContact CD1-CZ 4.24Å; I572-I611 PolarHBondContact O-N 3.06Å
573	D	97.9	Very high	96.5	Very high	38 Å²	38	54.4 Å²	54.4	20%	0.203	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.4	175.5	-178	-7.2	0	0	0	110.1	S575 V579 K580 I611	D573-S575 VanDerWaalsContact OD1-CB 3.31Å; D573-S575 WeakPolarHBondContact OD1-CB 3.28Å; D573-S575 PolarHBondContact OD1-N 3.08Å; D573-S575 PolarHBondContact OD1-OG 3.39Å; D573-V579 CarbonylContact O-C 3.5Å; D573-V579 WeakPolarHBondContact O-CA 3.46Å; D573-K580 HydrophobicContact CB-CB 4.26Å; D573-K580 PolarHBondContact N-O 3.29Å; D573-K580 PolarHBondContact O-N 3.13Å; D573-I611 CarbonylContact C-O 3.49Å; D573-I611 VanDerWaalsContact CA-O 3.29Å; D573-I611 WeakPolarHBondContact CA-O 3.38Å; D573-I611 HydrophobicContact CB-CB 4.17Å
574	Y	95.7	Very high	96.4	Very high	52 Å²	52	59 Å²	59	20%	0.204	31%	0.312	C	S	.	.			trans	-119.4	22.5	178.5	58.6	-90	0	0	0	111.6	I572 A576 F610 I611 P612 Q613 L763	I572-Y574 HydrophobicContact CG2-CD1 4.15Å; Y574-A576 VanDerWaalsContact C-N 3.28Å; Y574-A576 PolarHBondContact O-N 3.11Å; Y574-F610 HydrophobicContact CE1-CB 4.11Å; Y574-F610 HydrophobicContact CE1-CD1 4.03Å; Y574-I611 WeakPolarHBondContact CD1-O 3.07Å; Y574-I611 PolarHBondContact N-O 3Å; Y574-P612 WeakPolarHBondContact CE1-O 3.28Å; Y574-P612 PolarHBondContact OH-O 2.69Å; Y574-Q613 PolarHBondContact OH-O 3.05Å; Y574-L763 HydrophobicContact CD2-CD1 3.66Å; Y574-L763 HydrophobicContact CE1-CD1 4.49Å; Y574-L763 HydrophobicContact CE2-CD1 3.26Å; Y574-L763 HydrophobicContact CG-CD1 4.42Å
575	S	93.5	Very high	96.2	Very high	76 Å²	76	60 Å²	60	53%	0.531	34%	0.34	S	S	.	.	S	Bend	trans	-71.5	-22	178.5	63.9	0	0	0	0	113.9	D573 I611	D573-S575 VanDerWaalsContact OD1-CB 3.31Å; D573-S575 WeakPolarHBondContact OD1-CB 3.28Å; D573-S575 PolarHBondContact OD1-N 3.08Å; D573-S575 PolarHBondContact OD1-OG 3.39Å; S575-I611 PolarHBondContact N-O 3.38Å
576	A	86.6	Confident	95.9	Very high	73 Å²	73	59.5 Å²	59.5	60%	0.603	35%	0.352	S	S	*	.	S	Bend	trans	-115.2	-168.8	-174	0	0	0	0	0	112.3	Y574	Y574-A576 VanDerWaalsContact C-N 3.28Å; Y574-A576 PolarHBondContact O-N 3.11Å
577	G	86.8	Confident	95.8	Very high	80 Å²	80	58.1 Å²	58.1	83%	0.825	34%	0.342	S	S	*	.	S	Bend	trans	-65.4	-44.3	-175.2	0	0	0	0	0	115.2
578	R	93.5	Very high	95.8	Very high	124 Å²	124	60.6 Å²	60.6	47%	0.468	36%	0.355	S	S	.	.	S	Bend	trans	-108.6	140.7	173.9	-66.6	-171.3	82.4	-155.5	-0.7	109.8	S358 S591 D592	S358-R578 PolarHBondContact OG-NH2 3.42Å; R578-S591 CarbonylContact C-O 3.23Å; R578-D592 IonicContact CZ-OD1 3.81Å; R578-D592 IonicContact NE-OD1 3.04Å; R578-D592 PolarHBondContact NE-OD1 3.03Å; R578-D592 IonicContact NH2-OD1 2.94Å
579	V	97.3	Very high	95.8	Very high	14 Å²	14	57.2 Å²	57.2	9%	0.085	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.5	176.9	-173.8	0	0	0	0	109.3	I572 D573 V581 Y590 S591 V594	I572-V579 HydrophobicContact CG2-CG1 3.81Å; D573-V579 CarbonylContact O-C 3.5Å; D573-V579 WeakPolarHBondContact O-CA 3.46Å; V579-V581 HydrophobicContact CG1-CG2 4.03Å; V579-Y590 VanDerWaalsContact O-CA 3.31Å; V579-Y590 WeakPolarHBondContact O-CA 3.4Å; V579-S591 PolarHBondContact N-O 2.89Å; V579-S591 PolarHBondContact O-N 2.88Å; V579-S591 VanDerWaalsContact O-N 3.08Å; V579-V594 HydrophobicContact CB-CB 4.49Å; V579-V594 HydrophobicContact CG1-CB 3.95Å; V579-V594 HydrophobicContact CG1-CG1 3.78Å; V579-V594 HydrophobicContact CG2-CG1 4.27Å
580	K	98.1	Very high	95.7	Very high	71 Å²	71	62.4 Å²	62.4	31%	0.309	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121	176.6	177	-176.5	-177.2	-178.8	0	109.6	D573 M588 F589 Y590	D573-K580 HydrophobicContact CB-CB 4.26Å; D573-K580 PolarHBondContact N-O 3.29Å; D573-K580 PolarHBondContact O-N 3.13Å; K580-M588 WeakPolarHBondContact CE-SD 3.43Å; K580-F589 WeakPolarHBondContact CA-O 3.43Å; K580-Y590 HydrophobicContact CB-CD1 4.08Å; K580-Y590 HydrophobicContact CB-CE1 3.86Å; K580-Y590 HydrophobicContact CD-CE1 4Å; K580-Y590 HydrophobicContact CG-CD1 4.28Å; K580-Y590 HydrophobicContact CG-CE1 3.67Å
581	V	98.5	Very high	95.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.2	-179.1	179.2	0	0	0	0	110	L360 I362 L385 V569 K571 I572 V579 M588 F589 V594	L360-V581 HydrophobicContact CD2-CB 3.55Å; L360-V581 HydrophobicContact CD2-CG1 3.96Å; L360-V581 HydrophobicContact CD2-CG2 3.49Å; L360-V581 VanDerWaalsContact CD2-CG2 3.49Å; I362-V581 HydrophobicContact CD1-CG1 4.28Å; L385-V581 HydrophobicContact CD1-CG1 4.03Å; V569-V581 HydrophobicContact CB-CG1 4.26Å; V569-V581 HydrophobicContact CG1-CG1 3.55Å; V569-V581 HydrophobicContact CG2-CG1 3.67Å; K571-V581 WeakPolarHBondContact O-CA 3.25Å; I572-V581 HydrophobicContact CG1-CG1 4.44Å; I572-V581 HydrophobicContact CG1-CG2 4.25Å; I572-V581 HydrophobicContact CG2-CG2 4.24Å; V579-V581 HydrophobicContact CG1-CG2 4.03Å; V581-M588 CarbonylContact O-C 3.6Å; V581-M588 WeakPolarHBondContact O-CA 3.29Å; V581-F589 PolarHBondContact N-O 3.07Å; V581-F589 PolarHBondContact O-N 3.44Å; V581-V594 HydrophobicContact CG2-CG2 4.26Å
582	S	98.4	Very high	95.6	Very high	16 Å²	16	59.3 Å²	59.3	11%	0.112	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.8	177	-54.8	0	0	0	0	110.5	V569 T570 K571	V569-S582 WeakPolarHBondContact CA-O 3.13Å; T570-S582 PolarHBondContact N-O 3.15Å; T570-S582 PolarHBondContact OG1-O 3.29Å; K571-S582 PolarHBondContact N-O 2.85Å; K571-S582 PolarHBondContact O-N 3.46Å
583	V	98.1	Very high	95.5	Very high	5 Å²	5	64.4 Å²	64.4	3%	0.03	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	162.8	173.2	-59.6	0	0	0	0	110.9	L385 H567 R568 V569 G586 R587 F589	L385-V583 HydrophobicContact CD1-CG1 3.93Å; H567-V583 HydrophobicContact CB-CG1 4.13Å; R568-V583 CarbonylContact O-C 3.58Å; R568-V583 WeakPolarHBondContact O-CA 3.5Å; R568-V583 WeakPolarHBondContact O-CB 3.46Å; V569-V583 HydrophobicContact CG2-CG1 4.07Å; V583-G586 PolarHBondContact O-N 2.9Å; V583-R587 HydrophobicContact CG2-CB 3.65Å; V583-R587 HydrophobicContact CG2-CG 4.47Å; V583-R587 WeakPolarHBondContact CG2-O 3.4Å; V583-R587 PolarHBondContact N-O 2.85Å; V583-F589 HydrophobicContact CG1-CD2 4.22Å; V583-F589 HydrophobicContact CG1-CE2 3.99Å; V583-F589 HydrophobicContact CG2-CE2 4.06Å
584	E	96.3	Very high	95.4	Very high	133 Å²	133	64.5 Å²	64.5	62%	0.621	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	139.1	168.3	-168.9	170.6	-162.7	0	0	110.8	R568 T570 G586	R568-E584 HydrophobicContact CB-CB 4.27Å; R568-E584 PolarHBondContact O-N 3.07Å; T570-E584 HydrophobicContact CG2-CB 4.25Å; E584-G586 VanDerWaalsContact C-N 3.32Å
585	G	93.2	Very high	95.5	Very high	85 Å²	85	62.8 Å²	62.8	88%	0.876	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	1.9	-170.3	0	0	0	0	0	115.1	R587	G585-R587 PolarHBondContact O-N 3.47Å
586	G	92.6	Very high	95.7	Very high	59 Å²	59	61.5 Å²	61.5	61%	0.608	35%	0.354	S	S	*	.	S	Bend	trans	87.4	0.2	165.5	0	0	0	0	0	116	V583 E584	V583-G586 PolarHBondContact O-N 2.9Å; E584-G586 VanDerWaalsContact C-N 3.32Å
587	R	96.1	Very high	96.2	Very high	136 Å²	136	59.3 Å²	59.3	51%	0.513	33%	0.334	S	S	.	.			trans	-66.4	146.5	173.7	-176	178.7	-175	175	10.2	110.4	H567 V583 G585 F589	H567-R587 PolarHBondContact NE2-NH1 2.91Å; H567-R587 VanDerWaalsContact NE2-NH1 3.19Å; V583-R587 HydrophobicContact CG2-CB 3.65Å; V583-R587 HydrophobicContact CG2-CG 4.47Å; V583-R587 WeakPolarHBondContact CG2-O 3.4Å; V583-R587 PolarHBondContact N-O 2.85Å; G585-R587 PolarHBondContact O-N 3.47Å; R587-F589 HydrophobicContact CG-CE2 3.83Å; R587-F589 HydrophobicContact CG-CZ 4.06Å; R587-F589 VanDerWaalsContact NE-CZ 3.31Å
588	M	97	Very high	96.7	Very high	88 Å²	88	56.8 Å²	56.8	43%	0.433	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.2	-178.4	-59.5	-179.9	-68.2	0	0	111.3	K580 V581 Y590	K580-M588 WeakPolarHBondContact CE-SD 3.43Å; V581-M588 CarbonylContact O-C 3.6Å; V581-M588 WeakPolarHBondContact O-CA 3.29Å; M588-Y590 HydrophobicContact CB-CE2 4.28Å
589	F	98.1	Very high	96.9	Very high	15 Å²	15	51.9 Å²	51.9	7%	0.066	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	153	176.3	-62.9	-93.5	0	0	0	109.9	L360 M383 L385 H567 K580 V581 V583 R587	L360-F589 HydrophobicContact CD1-CB 4.44Å; L360-F589 HydrophobicContact CD2-CB 3.98Å; M383-F589 HydrophobicContact CE-CD1 4.45Å; M383-F589 HydrophobicContact SD-CD1 3.54Å; M383-F589 VanDerWaalsContact SD-CD1 3.54Å; M383-F589 HydrophobicContact SD-CE1 3.63Å; L385-F589 HydrophobicContact CD1-CD2 3.79Å; L385-F589 HydrophobicContact CD1-CE2 4.19Å; L385-F589 HydrophobicContact CD1-CG 4.16Å; L385-F589 HydrophobicContact CD2-CD1 4.31Å; L385-F589 HydrophobicContact CD2-CD2 4.26Å; L385-F589 HydrophobicContact CD2-CE1 4.1Å; L385-F589 HydrophobicContact CD2-CE2 4.05Å; L385-F589 HydrophobicContact CD2-CG 4.39Å; L385-F589 HydrophobicContact CD2-CZ 3.95Å; H567-F589 AromaticContact CD2-CE2 3.72Å; H567-F589 AromaticContact CD2-CZ 3.53Å; H567-F589 AromaticContact NE2-CZ 3.88Å; K580-F589 WeakPolarHBondContact CA-O 3.43Å; V581-F589 PolarHBondContact N-O 3.07Å; V581-F589 PolarHBondContact O-N 3.44Å; V583-F589 HydrophobicContact CG1-CD2 4.22Å; V583-F589 HydrophobicContact CG1-CE2 3.99Å; V583-F589 HydrophobicContact CG2-CE2 4.06Å; R587-F589 HydrophobicContact CG-CE2 3.83Å; R587-F589 HydrophobicContact CG-CZ 4.06Å; R587-F589 VanDerWaalsContact NE-CZ 3.31Å
590	Y	97.6	Very high	96.9	Very high	118 Å²	118	52.2 Å²	52.2	46%	0.463	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.3	-177.6	-60.8	-89.4	0	0	0	110.4	V579 K580 M588	V579-Y590 VanDerWaalsContact O-CA 3.31Å; V579-Y590 WeakPolarHBondContact O-CA 3.4Å; K580-Y590 HydrophobicContact CB-CD1 4.08Å; K580-Y590 HydrophobicContact CB-CE1 3.86Å; K580-Y590 HydrophobicContact CD-CE1 4Å; K580-Y590 HydrophobicContact CG-CD1 4.28Å; K580-Y590 HydrophobicContact CG-CE1 3.67Å; M588-Y590 HydrophobicContact CB-CE2 4.28Å
591	S	97.3	Very high	96.8	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	163.7	179	56.3	0	0	0	0	110.8	L360 R578 V579 K593	L360-S591 WeakPolarHBondContact CB-OG 3.4Å; R578-S591 CarbonylContact C-O 3.23Å; V579-S591 PolarHBondContact N-O 2.89Å; V579-S591 PolarHBondContact O-N 2.88Å; V579-S591 VanDerWaalsContact O-N 3.08Å; S591-K593 WeakPolarHBondContact CB-O 3.26Å; S591-K593 PolarHBondContact OG-O 2.82Å; S591-K593 VanDerWaalsContact OG-O 3.04Å
592	D	95.8	Very high	96.7	Very high	60 Å²	60	49.8 Å²	49.8	32%	0.321	28%	0.279	S	S	.	.	S	Bend	trans	-80	-30.7	176.1	-49.7	-42.6	0	0	0	111	L357 S358 R578	L357-D592 HydrophobicContact CD1-CB 3.88Å; S358-D592 WeakPolarHBondContact CB-OD2 3.32Å; S358-D592 PolarHBondContact N-OD2 2.75Å; S358-D592 PolarHBondContact O-N 2.95Å; S358-D592 PolarHBondContact OG-N 3.26Å; S358-D592 VanDerWaalsContact OG-N 3.1Å; S358-D592 PolarHBondContact OG-OD1 2.9Å; S358-D592 PolarHBondContact OG-OD2 3.27Å; R578-D592 IonicContact CZ-OD1 3.81Å; R578-D592 IonicContact NE-OD1 3.04Å; R578-D592 PolarHBondContact NE-OD1 3.03Å; R578-D592 IonicContact NH2-OD1 2.94Å
593	K	96.1	Very high	96.6	Very high	107 Å²	107	50.7 Å²	50.7	47%	0.465	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.1	176.3	-57.8	-68.7	-178.7	178.4	0	110.5	L357 S358 V359 L360 S591 I790	L357-K593 HydrophobicContact CD1-CG 4.17Å; S358-K593 PolarHBondContact O-N 3.1Å; V359-K593 WeakPolarHBondContact CA-O 3.24Å; V359-K593 HydrophobicContact CG1-CB 4.43Å; V359-K593 HydrophobicContact CG2-CB 4.41Å; L360-K593 PolarHBondContact N-O 2.93Å; S591-K593 WeakPolarHBondContact CB-O 3.26Å; S591-K593 PolarHBondContact OG-O 2.82Å; S591-K593 VanDerWaalsContact OG-O 3.04Å; K593-I790 HydrophobicContact CG-CG2 4.46Å
594	V	97.3	Very high	96.5	Very high	40 Å²	40	53.1 Å²	53.1	24%	0.242	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.8	170.6	67.1	0	0	0	0	110.1	L360 I362 I572 V579 V581	L360-V594 CarbonylContact O-C 3.59Å; L360-V594 VanDerWaalsContact O-CA 3.26Å; L360-V594 WeakPolarHBondContact O-CA 3.41Å; I362-V594 HydrophobicContact CD1-CG2 3.78Å; I362-V594 HydrophobicContact CG1-CG2 4.15Å; I572-V594 HydrophobicContact CG2-CG1 4.05Å; V579-V594 HydrophobicContact CB-CB 4.49Å; V579-V594 HydrophobicContact CG1-CB 3.95Å; V579-V594 HydrophobicContact CG1-CG1 3.78Å; V579-V594 HydrophobicContact CG2-CG1 4.27Å; V581-V594 HydrophobicContact CG2-CG2 4.26Å
595	L	97.6	Very high	96.5	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.089	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.8	170.9	174.3	60.8	0	0	0	109.6	L360 I361 I362 A371 T597 E786 I790	L360-L595 PolarHBondContact O-N 2.93Å; I361-L595 WeakPolarHBondContact CA-O 3.36Å; I361-L595 HydrophobicContact CD1-CD2 4.33Å; I361-L595 HydrophobicContact CG1-CB 4.24Å; I361-L595 HydrophobicContact CG2-CD2 4.43Å; I362-L595 PolarHBondContact N-O 3.39Å; A371-L595 HydrophobicContact CB-CD2 3.61Å; L595-T597 HydrophobicContact CD1-CG2 4.34Å; L595-T597 HydrophobicContact CD2-CG2 4.02Å; L595-T597 HydrophobicContact CG-CG2 3.78Å; L595-E786 HydrophobicContact CD1-CB 3.97Å; L595-E786 HydrophobicContact CD1-CG 3.76Å; L595-E786 HydrophobicContact CD2-CB 4.11Å; L595-I790 HydrophobicContact CB-CD1 4.28Å; L595-I790 HydrophobicContact CD2-CD1 4.29Å
596	V	97.6	Very high	96.5	Very high	48 Å²	48	54.9 Å²	54.9	29%	0.291	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.5	179.5	-172.9	0	0	0	0	109.5	I362 I572 V598 L603 F610	I362-V596 HydrophobicContact CD1-CG2 4.29Å; I572-V596 HydrophobicContact CD1-CG2 3.75Å; V596-V598 HydrophobicContact CG1-CG1 4.28Å; V596-V598 HydrophobicContact CG1-CG2 3.84Å; V596-L603 HydrophobicContact CG1-CD2 4.47Å; V596-F610 HydrophobicContact CG2-CE1 4.27Å
597	T	97.6	Very high	96.6	Very high	28 Å²	28	54.6 Å²	54.6	17%	0.172	28%	0.279	C	S	.	.			trans	-120.6	18.1	-179.3	72.4	0	0	0	0	113.3	I361 I362 G363 L595	I361-T597 HydrophobicContact CG2-CG2 4.22Å; I362-T597 WeakPolarHBondContact O-CA 3.16Å; I362-T597 PolarHBondContact O-N 3.42Å; I362-T597 PolarHBondContact O-OG1 3.3Å; G363-T597 PolarHBondContact O-OG1 2.98Å; L595-T597 HydrophobicContact CD1-CG2 4.34Å; L595-T597 HydrophobicContact CD2-CG2 4.02Å; L595-T597 HydrophobicContact CG-CG2 3.78Å
598	V	97.4	Very high	96.7	Very high	27 Å²	27	48.8 Å²	48.8	16%	0.164	26%	0.258	C	S	.	.			trans	-65.7	152.4	179.2	-54	0	0	0	0	111.3	I362 V596 V602 L603 I608	I362-V598 HydrophobicContact CG2-CG1 3.71Å; V596-V598 HydrophobicContact CG1-CG1 4.28Å; V596-V598 HydrophobicContact CG1-CG2 3.84Å; V598-V602 HydrophobicContact CB-CB 4.14Å; V598-V602 HydrophobicContact CB-CG1 4.05Å; V598-V602 HydrophobicContact CG2-CB 4.02Å; V598-V602 HydrophobicContact CG2-CG1 3.93Å; V598-L603 HydrophobicContact CG2-CD2 3.69Å; V598-L603 HydrophobicContact CG2-CG 3.81Å; V598-I608 HydrophobicContact CG1-CD1 4.05Å; V598-I608 HydrophobicContact CG2-CD1 4.28Å
599	P	96.9	Very high	96.7	Very high	20 Å²	20	49.1 Å²	49.1	13%	0.13	26%	0.258	C	S	.	.			trans	-59	153.5	177	-28.2	39.7	0	0	0	113.4	A601 V602 L603 I740 M742	P599-A601 PolarHBondContact O-N 3.38Å; P599-V602 HydrophobicContact CB-CG2 4.3Å; P599-V602 HydrophobicContact CG-CG2 4.43Å; P599-V602 WeakPolarHBondContact O-CB 3.3Å; P599-V602 PolarHBondContact O-N 3.45Å; P599-L603 PolarHBondContact O-N 2.92Å; P599-I740 HydrophobicContact CG-CG1 4.47Å; P599-I740 HydrophobicContact CG-CG2 4.5Å; P599-M742 HydrophobicContact CB-CG 4.25Å; P599-M742 HydrophobicContact CB-SD 3.97Å
600	L	96.4	Very high	96.7	Very high	21 Å²	21	49.6 Å²	49.6	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-55.1	-39.8	-179.8	178.5	67	0	0	0	112.1	V602 L603 Q604 I622 L625 M742	L600-V602 VanDerWaalsContact C-N 3.28Å; L600-V602 PolarHBondContact O-N 2.87Å; L600-L603 WeakPolarHBondContact O-CB 3.32Å; L600-L603 PolarHBondContact O-N 3.34Å; L600-L603 VanDerWaalsContact O-N 3.15Å; L600-Q604 HydrophobicContact CD1-CG 4.42Å; L600-Q604 HydrophobicContact CG-CG 4.33Å; L600-Q604 WeakPolarHBondContact O-CG 3.46Å; L600-Q604 PolarHBondContact O-N 3.35Å; L600-I622 HydrophobicContact CD1-CG2 4.01Å; L600-L625 HydrophobicContact CD1-CB 4.48Å; L600-L625 HydrophobicContact CD2-CB 3.56Å; L600-M742 HydrophobicContact CB-CE 4Å; L600-M742 HydrophobicContact CB-SD 3.67Å; L600-M742 PolarHBondContact N-SD 2.84Å
601	A	96.7	Very high	96.7	Very high	6 Å²	6	46.4 Å²	46.4	5%	0.05	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-35.1	178.3	0	0	0	0	0	112.7	P599 L603 Q604 N605 C627 I740 M742	P599-A601 PolarHBondContact O-N 3.38Å; A601-L603 VanDerWaalsContact C-N 3.33Å; A601-L603 PolarHBondContact O-N 3.5Å; A601-Q604 PolarHBondContact O-N 3.31Å; A601-N605 WeakPolarHBondContact O-CB 3.38Å; A601-N605 PolarHBondContact O-N 3.08Å; A601-N605 PolarHBondContact O-ND2 2.93Å; A601-C627 PolarHBondContact N-SG 2.74Å; A601-I740 WeakPolarHBondContact CB-O 3.43Å; A601-M742 HydrophobicContact CB-CB 4.27Å; A601-M742 HydrophobicContact CB-CG 4.31Å; A601-M742 HydrophobicContact CB-SD 4.16Å
602	V	96.5	Very high	96.6	Very high	15 Å²	15	49.6 Å²	49.6	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-38.7	176.7	178.9	0	0	0	0	110.8	V598 P599 L600 A607 D739	V598-V602 HydrophobicContact CB-CB 4.14Å; V598-V602 HydrophobicContact CB-CG1 4.05Å; V598-V602 HydrophobicContact CG2-CB 4.02Å; V598-V602 HydrophobicContact CG2-CG1 3.93Å; P599-V602 HydrophobicContact CB-CG2 4.3Å; P599-V602 HydrophobicContact CG-CG2 4.43Å; P599-V602 WeakPolarHBondContact O-CB 3.3Å; P599-V602 PolarHBondContact O-N 3.45Å; L600-V602 VanDerWaalsContact C-N 3.28Å; L600-V602 PolarHBondContact O-N 2.87Å; V602-A607 HydrophobicContact CG1-CB 3.79Å; V602-A607 PolarHBondContact O-N 2.58Å; V602-D739 VanDerWaalsContact CG2-O 3.3Å; V602-D739 WeakPolarHBondContact CG2-O 3.3Å
603	L	96	Very high	96.6	Very high	34 Å²	34	52.9 Å²	52.9	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-68.3	-45	173.9	-62.7	174.2	0	0	0	111.7	V596 V598 P599 L600 A601 N605 N606 F610 I622	V596-L603 HydrophobicContact CG1-CD2 4.47Å; V598-L603 HydrophobicContact CG2-CD2 3.69Å; V598-L603 HydrophobicContact CG2-CG 3.81Å; P599-L603 PolarHBondContact O-N 2.92Å; L600-L603 WeakPolarHBondContact O-CB 3.32Å; L600-L603 PolarHBondContact O-N 3.34Å; L600-L603 VanDerWaalsContact O-N 3.15Å; A601-L603 VanDerWaalsContact C-N 3.33Å; A601-L603 PolarHBondContact O-N 3.5Å; L603-N605 VanDerWaalsContact C-N 3.25Å; L603-N605 PolarHBondContact O-N 2.97Å; L603-N606 PolarHBondContact O-N 2.71Å; L603-N606 VanDerWaalsContact O-N 3.08Å; L603-F610 HydrophobicContact CD2-CE2 4.34Å; L603-F610 HydrophobicContact CD2-CZ 4.25Å; L603-I622 HydrophobicContact CB-CD1 4.46Å; L603-I622 HydrophobicContact CB-CG2 3.84Å; L603-I622 HydrophobicContact CD1-CD1 4.14Å
604	Q	96.4	Very high	96.4	Very high	57 Å²	57	49.5 Å²	49.5	27%	0.266	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-30.9	178.7	-72.6	-178.7	-9.2	0	0	112.9	L600 A601 N606 I622 L625 C627	L600-Q604 HydrophobicContact CD1-CG 4.42Å; L600-Q604 HydrophobicContact CG-CG 4.33Å; L600-Q604 WeakPolarHBondContact O-CG 3.46Å; L600-Q604 PolarHBondContact O-N 3.35Å; A601-Q604 PolarHBondContact O-N 3.31Å; Q604-N606 PolarHBondContact O-N 3.01Å; Q604-I622 HydrophobicContact CG-CG2 3.88Å; Q604-I622 PolarHBondContact NE2-O 2.82Å; Q604-L625 PolarHBondContact NE2-O 2.84Å; Q604-C627 PolarHBondContact OE1-SG 2.87Å
605	N	95.5	Very high	96.3	Very high	118 Å²	118	50.6 Å²	50.6	63%	0.631	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	1	176.6	-69.5	-19.5	0	0	0	113.7	A601 L603 A607	A601-N605 WeakPolarHBondContact O-CB 3.38Å; A601-N605 PolarHBondContact O-N 3.08Å; A601-N605 PolarHBondContact O-ND2 2.93Å; L603-N605 VanDerWaalsContact C-N 3.25Å; L603-N605 PolarHBondContact O-N 2.97Å; N605-A607 PolarHBondContact O-N 3.34Å
606	N	94.4	Very high	96.1	Very high	137 Å²	137	56 Å²	56	73%	0.733	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	36.6	-176.9	-57.6	-57.1	0	0	0	113.3	L603 Q604 I608	L603-N606 PolarHBondContact O-N 2.71Å; L603-N606 VanDerWaalsContact O-N 3.08Å; Q604-N606 PolarHBondContact O-N 3.01Å; N606-I608 PolarHBondContact O-N 3.17Å
607	A	95.5	Very high	96	Very high	53 Å²	53	59.4 Å²	59.4	44%	0.438	31%	0.312	S	S	.	.			trans	-69.1	-14.4	-178.5	0	0	0	0	0	113.5	V602 N605	V602-A607 HydrophobicContact CG1-CB 3.79Å; V602-A607 PolarHBondContact O-N 2.58Å; N605-A607 PolarHBondContact O-N 3.34Å
608	I	97.3	Very high	95.9	Very high	14 Å²	14	59.2 Å²	59.2	7%	0.072	31%	0.309	C	S	.	.	S	Bend	trans	-124.5	121.4	178.3	-58	174.6	0	0	0	108.4	V569 I572 V598 N606 F610	V569-I608 HydrophobicContact CG1-CD1 4.47Å; V569-I608 HydrophobicContact CG1-CG2 4.19Å; I572-I608 HydrophobicContact CD1-CG2 3.78Å; I572-I608 HydrophobicContact CG1-CG2 3.79Å; V598-I608 HydrophobicContact CG1-CD1 4.05Å; V598-I608 HydrophobicContact CG2-CD1 4.28Å; N606-I608 PolarHBondContact O-N 3.17Å; I608-F610 HydrophobicContact CB-CE2 4.09Å; I608-F610 HydrophobicContact CB-CZ 4.42Å; I608-F610 HydrophobicContact CG2-CD2 4.42Å; I608-F610 HydrophobicContact CG2-CE2 4Å; I608-F610 HydrophobicContact CG2-CZ 4.07Å; I608-F610 WeakPolarHBondContact O-CD2 3.5Å
609	E	97.8	Very high	95.7	Very high	95 Å²	95	59.9 Å²	59.9	44%	0.444	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.8	170.5	-173.9	-173.7	-179.3	0	0	110.4	T570 K571 I572 I611	T570-E609 PolarHBondContact O-N 3.41Å; K571-E609 CarbonylContact C-O 3.46Å; K571-E609 VanDerWaalsContact CA-O 3.25Å; K571-E609 WeakPolarHBondContact CA-O 3.36Å; K571-E609 HydrophobicContact CB-CB 4.18Å; K571-E609 HydrophobicContact CG-CB 4.3Å; I572-E609 PolarHBondContact N-O 3.39Å; E609-I611 HydrophobicContact CG-CG1 4.29Å
610	F	97.6	Very high	95.7	Very high	24 Å²	24	65.1 Å²	65.1	11%	0.105	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.8	175.1	-68.7	-91.3	0	0	0	110.3	I572 Y574 V596 L603 I608 P612 Q613 I614	I572-F610 HydrophobicContact CB-CD1 4.25Å; I572-F610 HydrophobicContact CB-CE1 4.49Å; I572-F610 HydrophobicContact CD1-CD1 4.3Å; I572-F610 HydrophobicContact CD1-CE1 3.71Å; I572-F610 HydrophobicContact CD1-CZ 4.24Å; Y574-F610 HydrophobicContact CE1-CB 4.11Å; Y574-F610 HydrophobicContact CE1-CD1 4.03Å; V596-F610 HydrophobicContact CG2-CE1 4.27Å; L603-F610 HydrophobicContact CD2-CE2 4.34Å; L603-F610 HydrophobicContact CD2-CZ 4.25Å; I608-F610 HydrophobicContact CB-CE2 4.09Å; I608-F610 HydrophobicContact CB-CZ 4.42Å; I608-F610 HydrophobicContact CG2-CD2 4.42Å; I608-F610 HydrophobicContact CG2-CE2 4Å; I608-F610 HydrophobicContact CG2-CZ 4.07Å; I608-F610 WeakPolarHBondContact O-CD2 3.5Å; F610-P612 CarbonylContact C-O 3.5Å; F610-P612 CarbonylContact O-C 3.45Å; F610-P612 VanDerWaalsContact O-C 3.23Å; F610-P612 VanDerWaalsContact O-O 3.11Å; F610-Q613 WeakPolarHBondContact O-CA 3.39Å; F610-Q613 PolarHBondContact O-N 2.96Å; F610-Q613 PolarHBondContact O-NE2 3.06Å; F610-I614 HydrophobicContact CB-CG2 4.04Å; F610-I614 HydrophobicContact CD1-CG2 3.86Å; F610-I614 HydrophobicContact CD2-CG2 4.03Å; F610-I614 HydrophobicContact CE1-CG2 4.29Å; F610-I614 HydrophobicContact CE2-CG2 4.46Å; F610-I614 HydrophobicContact CG-CG2 3.71Å
611	I	97	Very high	95.7	Very high	52 Å²	52	64.3 Å²	64.3	27%	0.267	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	115.6	177	-55.3	-177.7	0	0	0	109.9	K571 I572 D573 Y574 S575 E609	K571-I611 HydrophobicContact CD-CD1 3.64Å; K571-I611 HydrophobicContact CD-CG1 4.43Å; K571-I611 HydrophobicContact CG-CD1 4.27Å; I572-I611 PolarHBondContact O-N 3.06Å; D573-I611 CarbonylContact C-O 3.49Å; D573-I611 VanDerWaalsContact CA-O 3.29Å; D573-I611 WeakPolarHBondContact CA-O 3.38Å; D573-I611 HydrophobicContact CB-CB 4.17Å; Y574-I611 WeakPolarHBondContact CD1-O 3.07Å; Y574-I611 PolarHBondContact N-O 3Å; S575-I611 PolarHBondContact N-O 3.38Å; E609-I611 HydrophobicContact CG-CG1 4.29Å
612	P	95.8	Very high	95.6	Very high	69 Å²	69	64.6 Å²	64.6	45%	0.448	34%	0.335	S	S	.	.	S	Bend	cis	-57	168.8	-13.1	-21.5	34.9	0	0	0	112.2	Y574 F610	Y574-P612 WeakPolarHBondContact CE1-O 3.28Å; Y574-P612 PolarHBondContact OH-O 2.69Å; F610-P612 CarbonylContact C-O 3.5Å; F610-P612 CarbonylContact O-C 3.45Å; F610-P612 VanDerWaalsContact O-C 3.23Å; F610-P612 VanDerWaalsContact O-O 3.11Å
613	Q	95.1	Very high	95.6	Very high	129 Å²	129	66.7 Å²	66.7	60%	0.603	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-61.9	151.3	175.8	-72.1	-67.4	-27.2	0	0	111.4	Y574 F610	Y574-Q613 PolarHBondContact OH-O 3.05Å; F610-Q613 WeakPolarHBondContact O-CA 3.39Å; F610-Q613 PolarHBondContact O-N 2.96Å; F610-Q613 PolarHBondContact O-NE2 3.06Å
614	I	93	Very high	95.6	Very high	35 Å²	35	66.4 Å²	66.4	18%	0.179	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-62.2	148.3	173.1	56.9	170.2	0	0	0	110.3	F610 E616 A619 I622	F610-I614 HydrophobicContact CB-CG2 4.04Å; F610-I614 HydrophobicContact CD1-CG2 3.86Å; F610-I614 HydrophobicContact CD2-CG2 4.03Å; F610-I614 HydrophobicContact CE1-CG2 4.29Å; F610-I614 HydrophobicContact CE2-CG2 4.46Å; F610-I614 HydrophobicContact CG-CG2 3.71Å; I614-E616 PolarHBondContact O-N 3.18Å; I614-A619 HydrophobicContact CD1-CB 4.13Å; I614-A619 HydrophobicContact CG1-CB 4.31Å; I614-I622 HydrophobicContact CD1-CD1 3.67Å
615	P	93.6	Very high	95.6	Very high	64 Å²	64	63.9 Å²	63.9	42%	0.416	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-55.2	139.4	-179.8	-26.9	34.8	0	0	0	112.6	R617 K618 A619 L763	P615-R617 PolarHBondContact O-N 3.42Å; P615-R617 VanDerWaalsContact O-N 3.15Å; P615-K618 WeakPolarHBondContact O-CA 3.42Å; P615-K618 WeakPolarHBondContact O-CB 3.35Å; P615-K618 PolarHBondContact O-N 2.82Å; P615-A619 PolarHBondContact O-N 2.76Å; P615-L763 HydrophobicContact CG-CD2 4.08Å
616	E	95.1	Very high	95.7	Very high	131 Å²	131	58.3 Å²	58.3	61%	0.612	32%	0.315	S	S	*	.	H	α-helix	trans	-54	-39.2	-177.6	-171.5	-170.3	163.1	0	0	112.4	I614 K618 A619 K620	I614-E616 PolarHBondContact O-N 3.18Å; E616-K618 VanDerWaalsContact C-N 3.31Å; E616-K618 PolarHBondContact O-N 2.68Å; E616-A619 PolarHBondContact O-N 3.31Å; E616-K620 HydrophobicContact CG-CD 4.43Å; E616-K620 WeakPolarHBondContact O-CG 3.41Å; E616-K620 PolarHBondContact O-N 2.87Å; E616-K620 WeakPolarHBondContact OE1-CE 3.11Å; E616-K620 IonicContact OE1-NZ 2.62Å; E616-K620 PolarHBondContact OE1-NZ 3Å
617	R	94.9	Very high	95.7	Very high	119 Å²	119	53 Å²	53	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-55.4	-45.5	174.4	-175.7	-177.7	179.3	-134.6	1.3	111.7	P615 S621 I758 E761	P615-R617 PolarHBondContact O-N 3.42Å; P615-R617 VanDerWaalsContact O-N 3.15Å; R617-S621 PolarHBondContact O-N 3.44Å; R617-S621 VanDerWaalsContact O-N 3.17Å; R617-S621 PolarHBondContact O-OG 3.03Å; R617-I758 HydrophobicContact CG-CD1 4.43Å; R617-I758 HydrophobicContact CG-CG2 4.05Å; R617-E761 IonicContact CZ-OE1 3.81Å; R617-E761 IonicContact NH1-OE1 3.67Å; R617-E761 PolarHBondContact NH1-OE1 3.44Å; R617-E761 IonicContact NH1-OE2 3.47Å; R617-E761 PolarHBondContact NH1-OE2 2.75Å; R617-E761 IonicContact NH2-OE1 2.76Å
618	K	94.4	Very high	95.7	Very high	23 Å²	23	50.5 Å²	50.5	10%	0.1	27%	0.268	C	S	.	.	H	α-helix	trans	-69	-42.1	177.9	-173.6	-177.6	-72.1	-70.4	0	111.3	P615 E616 K620 S621 I622 I758 V759 E761	P615-K618 WeakPolarHBondContact O-CA 3.42Å; P615-K618 WeakPolarHBondContact O-CB 3.35Å; P615-K618 PolarHBondContact O-N 2.82Å; E616-K618 VanDerWaalsContact C-N 3.31Å; E616-K618 PolarHBondContact O-N 2.68Å; K618-K620 VanDerWaalsContact C-N 3.33Å; K618-K620 PolarHBondContact O-N 3.23Å; K618-S621 PolarHBondContact O-N 3.23Å; K618-I622 HydrophobicContact CG-CD1 4.11Å; K618-I622 VanDerWaalsContact O-CG1 3.31Å; K618-I622 WeakPolarHBondContact O-CG1 3.33Å; K618-I622 PolarHBondContact O-N 3.27Å; K618-I758 HydrophobicContact CB-CG2 4.48Å; K618-I758 PolarHBondContact NZ-O 2.86Å; K618-V759 PolarHBondContact NZ-O 3.22Å; K618-E761 PolarHBondContact NZ-O 3.03Å
619	A	94.9	Very high	95.5	Very high	41 Å²	41	53.8 Å²	53.8	34%	0.339	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-41.8	176.4	0	0	0	0	0	112.2	I614 P615 E616 I622 A623	I614-A619 HydrophobicContact CD1-CB 4.13Å; I614-A619 HydrophobicContact CG1-CB 4.31Å; P615-A619 PolarHBondContact O-N 2.76Å; E616-A619 PolarHBondContact O-N 3.31Å; A619-I622 PolarHBondContact O-N 2.89Å; A619-A623 WeakPolarHBondContact O-CB 3.19Å; A619-A623 PolarHBondContact O-N 2.67Å
620	K	96.4	Very high	95.3	Very high	130 Å²	130	49.6 Å²	49.6	57%	0.565	26%	0.262	S	S	*	.	H	α-helix	trans	-61.1	-47.5	174.5	-76	179.2	-179.5	168.1	0	111.9	E616 K618 I622 A623 A624	E616-K620 HydrophobicContact CG-CD 4.43Å; E616-K620 WeakPolarHBondContact O-CG 3.41Å; E616-K620 PolarHBondContact O-N 2.87Å; E616-K620 WeakPolarHBondContact OE1-CE 3.11Å; E616-K620 IonicContact OE1-NZ 2.62Å; E616-K620 PolarHBondContact OE1-NZ 3Å; K618-K620 VanDerWaalsContact C-N 3.33Å; K618-K620 PolarHBondContact O-N 3.23Å; K620-I622 PolarHBondContact O-N 2.95Å; K620-A623 CarbonylContact O-C 3.5Å; K620-A623 PolarHBondContact O-N 2.88Å; K620-A623 VanDerWaalsContact O-N 3.16Å; K620-A624 VanDerWaalsContact O-CB 3.3Å; K620-A624 WeakPolarHBondContact O-CB 3.43Å; K620-A624 PolarHBondContact O-N 2.97Å
621	S	95.7	Very high	95.1	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.028	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-38.5	177.3	-65.5	0	0	0	0	113.2	R617 K618 A623 A624 L625 D755 I758	R617-S621 PolarHBondContact O-N 3.44Å; R617-S621 VanDerWaalsContact O-N 3.17Å; R617-S621 PolarHBondContact O-OG 3.03Å; K618-S621 PolarHBondContact O-N 3.23Å; S621-A623 VanDerWaalsContact C-N 3.31Å; S621-A623 PolarHBondContact O-N 2.67Å; S621-A624 PolarHBondContact O-N 2.86Å; S621-L625 PolarHBondContact O-N 2.97Å; S621-D755 VanDerWaalsContact CA-OD1 3.3Å; S621-D755 WeakPolarHBondContact CA-OD1 3.41Å; S621-D755 WeakPolarHBondContact CB-OD1 3.41Å; S621-D755 PolarHBondContact OG-OD1 3.16Å; S621-I758 WeakPolarHBondContact OG-CD1 3.1Å; S621-I758 WeakPolarHBondContact OG-CG2 3.42Å
622	I	95.6	Very high	95.1	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-45.6	171.7	-71.5	169.6	0	0	0	110.1	L600 L603 Q604 I614 K618 A619 K620 V759	L600-I622 HydrophobicContact CD1-CG2 4.01Å; L603-I622 HydrophobicContact CB-CD1 4.46Å; L603-I622 HydrophobicContact CB-CG2 3.84Å; L603-I622 HydrophobicContact CD1-CD1 4.14Å; Q604-I622 HydrophobicContact CG-CG2 3.88Å; Q604-I622 PolarHBondContact NE2-O 2.82Å; I614-I622 HydrophobicContact CD1-CD1 3.67Å; K618-I622 HydrophobicContact CG-CD1 4.11Å; K618-I622 VanDerWaalsContact O-CG1 3.31Å; K618-I622 WeakPolarHBondContact O-CG1 3.33Å; K618-I622 PolarHBondContact O-N 3.27Å; A619-I622 PolarHBondContact O-N 2.89Å; K620-I622 PolarHBondContact O-N 2.95Å; I622-V759 HydrophobicContact CG1-CG2 3.84Å
623	A	96.8	Very high	95.1	Very high	58 Å²	58	43.1 Å²	43.1	48%	0.479	23%	0.225	S	C	.	.	H	α-helix	trans	-71.3	-30	178.9	0	0	0	0	0	113.4	A619 K620 S621 K748	A619-A623 WeakPolarHBondContact O-CB 3.19Å; A619-A623 PolarHBondContact O-N 2.67Å; K620-A623 CarbonylContact O-C 3.5Å; K620-A623 PolarHBondContact O-N 2.88Å; K620-A623 VanDerWaalsContact O-N 3.16Å; S621-A623 VanDerWaalsContact C-N 3.31Å; S621-A623 PolarHBondContact O-N 2.67Å; A623-K748 PolarHBondContact O-NZ 2.55Å
624	A	95.8	Very high	95.2	Very high	29 Å²	29	37 Å²	37	24%	0.24	20%	0.196	C	C	.	.	H	α-helix	trans	-73.3	-32.8	-177.9	0	0	0	0	0	113.1	K620 S621 K748 A751	K620-A624 VanDerWaalsContact O-CB 3.3Å; K620-A624 WeakPolarHBondContact O-CB 3.43Å; K620-A624 PolarHBondContact O-N 2.97Å; S621-A624 PolarHBondContact O-N 2.86Å; A624-K748 VanDerWaalsContact C-CE 3.49Å; A624-K748 WeakPolarHBondContact O-CE 3.47Å; A624-A751 HydrophobicContact CB-CB 3.97Å; A624-A751 WeakPolarHBondContact O-CB 3.38Å
625	L	96.3	Very high	95.4	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	146.8	176.2	-68	175.3	0	0	0	112.5	L600 Q604 S621 I747 K748 D755 Y756 V759	L600-L625 HydrophobicContact CD1-CB 4.48Å; L600-L625 HydrophobicContact CD2-CB 3.56Å; Q604-L625 PolarHBondContact NE2-O 2.84Å; S621-L625 PolarHBondContact O-N 2.97Å; L625-I747 HydrophobicContact CD2-CD1 3.53Å; L625-K748 VanDerWaalsContact O-CE 3.24Å; L625-K748 WeakPolarHBondContact O-CE 3.42Å; L625-K748 PolarHBondContact O-NZ 3.08Å; L625-D755 HydrophobicContact CD1-CB 4.35Å; L625-D755 HydrophobicContact CD2-CB 3.81Å; L625-D755 HydrophobicContact CG-CB 3.9Å; L625-Y756 HydrophobicContact CD1-CD1 4.21Å; L625-Y756 HydrophobicContact CD1-CE1 4.28Å; L625-Y756 HydrophobicContact CD1-CG 4.49Å; L625-Y756 HydrophobicContact CD2-CD2 4.22Å; L625-Y756 HydrophobicContact CD2-CE2 4.02Å; L625-V759 HydrophobicContact CD1-CG2 4.11Å
626	G	96.3	Very high	95.6	Very high	1 Å²	1	33 Å²	33	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	137.5	178.6	0	0	0	0	0	112.6	G628 S745 Y746	G626-G628 PolarHBondContact O-N 2.74Å; G626-S745 CarbonylContact O-C 3.57Å; G626-S745 WeakPolarHBondContact O-CA 3.48Å; G626-Y746 VanDerWaalsContact CA-CE1 3.47Å; G626-Y746 PolarHBondContact N-O 3.44Å; G626-Y746 PolarHBondContact O-N 3.42Å
627	C	95.8	Very high	95.6	Very high	25 Å²	25	26.8 Å²	26.8	17%	0.169	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	93.5	167.7	-73.1	0	0	0	0	109.7	A601 Q604 M742	A601-C627 PolarHBondContact N-SG 2.74Å; Q604-C627 PolarHBondContact OE1-SG 2.87Å; C627-M742 HydrophobicContact CB-CB 4.07Å; C627-M742 HydrophobicContact CB-CE 4.34Å
628	G	94.3	Very high	95.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	142.2	176.9	0	0	0	0	0	111.4	G519 G626 A743 Y744	G519-G628 CarbonylContact O-C 3.53Å; G519-G628 VanDerWaalsContact O-C 3.29Å; G519-G628 WeakPolarHBondContact O-CA 3.28Å; G626-G628 PolarHBondContact O-N 2.74Å; G628-A743 PolarHBondContact O-N 2.86Å; G628-Y744 WeakPolarHBondContact CA-O 3.49Å; G628-Y744 PolarHBondContact N-O 2.67Å
629	K	93.6	Very high	95.4	Very high	83 Å²	83	27.4 Å²	27.4	36%	0.361	15%	0.154	S	C	.	.			trans	-118.9	132.2	-178.3	-59.6	178.9	-177.2	175.4	0	108.8	G519 V695	G519-K629 PolarHBondContact O-N 3.34Å; K629-V695 HydrophobicContact CB-CG1 4.08Å
630	L	92.5	Very high	95.2	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.042	15%	0.15	C	C	.	.			trans	-148.7	137.2	177	-176.3	148	0	0	0	107.4	Y516 K632 Y689 L690 A743 Y744	Y516-L630 HydrophobicContact CD2-CD1 3.48Å; Y516-L630 VanDerWaalsContact CD2-CD1 3.48Å; Y516-L630 HydrophobicContact CE2-CD1 3.59Å; L630-K632 HydrophobicContact CD2-CG 4.04Å; L630-Y689 HydrophobicContact CD1-CD1 4.21Å; L630-Y689 HydrophobicContact CD2-CD1 3.72Å; L630-Y689 HydrophobicContact CD2-CG 4.5Å; L630-L690 WeakPolarHBondContact CA-O 3.42Å; L630-L690 WeakPolarHBondContact CG-O 3.45Å; L630-A743 HydrophobicContact CB-CB 3.68Å; L630-Y744 HydrophobicContact CB-CE1 4.44Å; L630-Y744 HydrophobicContact CD1-CE1 4.19Å; L630-Y744 WeakPolarHBondContact CD1-OH 3.35Å
631	E	95.3	Very high	95.1	Very high	3 Å²	3	22 Å²	22	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	167.6	170.8	-55.7	-59.9	174.5	0	0	110.4	L690 V695 S732 H733 W734 S735	E631-L690 HydrophobicContact CB-CB 4.4Å; E631-L690 HydrophobicContact CB-CD1 4.44Å; E631-L690 PolarHBondContact N-O 2.82Å; E631-L690 PolarHBondContact O-N 3.47Å; E631-V695 HydrophobicContact CG-CG1 4.15Å; E631-S732 VanDerWaalsContact CA-OG 3.22Å; E631-S732 WeakPolarHBondContact CA-OG 3.48Å; E631-S732 VanDerWaalsContact CD-O 3.29Å; E631-S732 WeakPolarHBondContact OE2-CB 3.22Å; E631-S732 PolarHBondContact OE2-OG 3.38Å; E631-H733 WeakPolarHBondContact OE2-CA 3.44Å; E631-H733 PolarHBondContact OE2-N 3.1Å; E631-H733 VanDerWaalsContact OE2-N 3.15Å; E631-W734 VanDerWaalsContact CD-N 3.3Å; E631-W734 PolarHBondContact OE1-N 2.86Å; E631-W734 PolarHBondContact OE2-N 2.84Å; E631-S735 WeakPolarHBondContact OE1-CB 3.28Å; E631-S735 PolarHBondContact OE1-N 3.18Å; E631-S735 PolarHBondContact OE1-OG 3.04Å
632	K	95.6	Very high	95.1	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.022	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.2	-179.7	-66.8	-161.3	-167.4	-167.8	0	110.7	G406 K407 G408 L630 M687 C688 Y689 M730 V731 S732	G406-K632 PolarHBondContact O-NZ 2.84Å; K407-K632 WeakPolarHBondContact O-CE 3.42Å; G408-K632 WeakPolarHBondContact O-CE 3.17Å; G408-K632 PolarHBondContact O-NZ 3.08Å; L630-K632 HydrophobicContact CD2-CG 4.04Å; K632-M687 HydrophobicContact CB-SD 3.72Å; K632-M687 HydrophobicContact CD-CE 4.03Å; K632-M687 HydrophobicContact CD-CG 4.48Å; K632-M687 HydrophobicContact CD-SD 3.72Å; K632-M687 HydrophobicContact CG-SD 4.2Å; K632-C688 WeakPolarHBondContact CA-O 3.49Å; K632-Y689 HydrophobicContact CD-CD1 4.23Å; K632-Y689 HydrophobicContact CD-CE1 3.98Å; K632-Y689 HydrophobicContact CG-CD1 4.13Å; K632-Y689 HydrophobicContact CG-CE1 4.38Å; K632-Y689 PolarHBondContact NZ-OH 2.85Å; K632-M730 HydrophobicContact CB-CE 4.43Å; K632-V731 CarbonylContact O-C 3.54Å; K632-V731 VanDerWaalsContact O-CA 3.26Å; K632-V731 WeakPolarHBondContact O-CA 3.22Å; K632-S732 PolarHBondContact N-OG 3.45Å; K632-S732 PolarHBondContact O-N 2.89Å
633	V	96.4	Very high	95	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.8	165.8	62.2	0	0	0	0	109.5	L635 F665 M687 C688 L690 C710 M730 V731	V633-L635 HydrophobicContact CG2-CD2 4.31Å; V633-F665 HydrophobicContact CG1-CD1 3.83Å; V633-F665 HydrophobicContact CG1-CE1 3.67Å; V633-M687 CarbonylContact O-C 3.52Å; V633-M687 WeakPolarHBondContact O-CA 3.19Å; V633-C688 HydrophobicContact CG1-CB 3.83Å; V633-C688 PolarHBondContact N-O 2.79Å; V633-C688 PolarHBondContact O-N 3.03Å; V633-L690 HydrophobicContact CG1-CD2 4.29Å; V633-C710 HydrophobicContact CG1-CB 4.27Å; V633-C710 HydrophobicContact CG2-CB 4.2Å; V633-M730 CarbonylContact C-O 3.59Å; V633-M730 VanDerWaalsContact CA-O 3.28Å; V633-M730 WeakPolarHBondContact CA-O 3.26Å; V633-V731 HydrophobicContact CG2-CG2 4.17Å
634	A	97.2	Very high	94.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.6	171.9	0	0	0	0	0	110.2	M401 V405 V685 L686 M687 Y729 M730	M401-A634 HydrophobicContact CE-CB 4.11Å; M401-A634 HydrophobicContact SD-CB 3.98Å; V405-A634 HydrophobicContact CG1-CB 3.81Å; A634-V685 HydrophobicContact CB-CG1 4.21Å; A634-L686 CarbonylContact C-O 3.58Å; A634-L686 VanDerWaalsContact CA-O 3.28Å; A634-L686 WeakPolarHBondContact CA-O 3.44Å; A634-M687 HydrophobicContact CB-CE 3.63Å; A634-M687 HydrophobicContact CB-SD 4Å; A634-Y729 CarbonylContact O-C 3.57Å; A634-Y729 WeakPolarHBondContact O-CA 3.42Å; A634-M730 HydrophobicContact CB-CB 4.36Å; A634-M730 HydrophobicContact CB-CE 3.96Å; A634-M730 PolarHBondContact N-O 3.04Å; A634-M730 PolarHBondContact O-N 3.4Å
635	L	97.4	Very high	94.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.8	176	-58.6	-178.7	0	0	0	109.3	V633 F637 V685 L686 A707 C710 L711 L714 P726	V633-L635 HydrophobicContact CG2-CD2 4.31Å; L635-F637 HydrophobicContact CB-CD2 4.39Å; L635-F637 HydrophobicContact CB-CE2 3.51Å; L635-F637 HydrophobicContact CB-CZ 3.65Å; L635-F637 HydrophobicContact CD1-CE2 4.44Å; L635-F637 HydrophobicContact CD1-CZ 3.89Å; L635-F637 HydrophobicContact CG-CZ 4.44Å; L635-V685 WeakPolarHBondContact O-CA 3.39Å; L635-L686 PolarHBondContact N-O 2.98Å; L635-L686 PolarHBondContact O-N 3.22Å; L635-A707 HydrophobicContact CD2-CB 3.86Å; L635-C710 HydrophobicContact CD1-CB 4.07Å; L635-L711 HydrophobicContact CD1-CB 4.4Å; L635-L714 HydrophobicContact CD1-CD1 3.85Å; L635-P726 HydrophobicContact CB-CB 4.25Å; L635-P726 HydrophobicContact CD2-CB 4.39Å; L635-P726 HydrophobicContact CD2-CG 4.43Å
636	Q	96.5	Very high	94.6	Very high	14 Å²	14	29.4 Å²	29.4	7%	0.065	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.9	175.2	-176.1	-169.2	11.5	0	0	109.9	M401 G682 N684 V685 P726 L727 N728	M401-Q636 HydrophobicContact CB-CB 4.17Å; M401-Q636 HydrophobicContact CB-CG 4.27Å; M401-Q636 HydrophobicContact CG-CB 4.2Å; M401-Q636 PolarHBondContact O-NE2 2.74Å; M401-Q636 HydrophobicContact SD-CB 4.42Å; Q636-G682 VanDerWaalsContact CD-O 3.31Å; Q636-G682 WeakPolarHBondContact CG-O 3.12Å; Q636-G682 PolarHBondContact NE2-O 3.15Å; Q636-N684 CarbonylContact C-O 3.56Å; Q636-N684 WeakPolarHBondContact CA-O 3.41Å; Q636-V685 HydrophobicContact CB-CG2 4.13Å; Q636-V685 HydrophobicContact CG-CG2 4.14Å; Q636-P726 CarbonylContact O-C 3.59Å; Q636-P726 WeakPolarHBondContact O-CA 3.39Å; Q636-P726 WeakPolarHBondContact O-CB 3.49Å; Q636-L727 HydrophobicContact CG-CB 4.36Å; Q636-L727 PolarHBondContact O-N 3.18Å; Q636-N728 HydrophobicContact CB-CB 4.29Å; Q636-N728 PolarHBondContact N-O 2.92Å; Q636-N728 PolarHBondContact OE1-ND2 3.02Å
637	F	95.6	Very high	94.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150	-177	-64.1	-81	0	0	0	112.3	L635 E639 F641 W642 N684 L686 L711 L714 V723 P724 P726	L635-F637 HydrophobicContact CB-CD2 4.39Å; L635-F637 HydrophobicContact CB-CE2 3.51Å; L635-F637 HydrophobicContact CB-CZ 3.65Å; L635-F637 HydrophobicContact CD1-CE2 4.44Å; L635-F637 HydrophobicContact CD1-CZ 3.89Å; L635-F637 HydrophobicContact CG-CZ 4.44Å; F637-E639 WeakPolarHBondContact CB-O 3.26Å; F637-E639 PolarHBondContact O-N 2.85Å; F637-F641 HydrophobicContact CB-CD1 4.46Å; F637-F641 HydrophobicContact CB-CE1 4.48Å; F637-F641 HydrophobicContact CD1-CD1 4.26Å; F637-F641 AromaticContact CD1-CE1 3.75Å; F637-F641 HydrophobicContact CD1-CE1 3.75Å; F637-F641 AromaticContact CD2-CE1 3.81Å; F637-F641 HydrophobicContact CD2-CE1 3.81Å; F637-F641 AromaticContact CE1-CE1 3.78Å; F637-F641 HydrophobicContact CE1-CE1 3.78Å; F637-F641 AromaticContact CE2-CE1 3.84Å; F637-F641 HydrophobicContact CE2-CE1 3.84Å; F637-F641 HydrophobicContact CE2-CZ 4.41Å; F637-F641 HydrophobicContact CG-CD1 4.17Å; F637-F641 AromaticContact CG-CE1 3.75Å; F637-F641 HydrophobicContact CG-CE1 3.75Å; F637-F641 AromaticContact CZ-CE1 3.82Å; F637-F641 HydrophobicContact CZ-CE1 3.82Å; F637-F641 HydrophobicContact CZ-CZ 4.29Å; F637-W642 HydrophobicContact CB-CZ3 4.24Å; F637-W642 HydrophobicContact CD2-CH2 4.03Å; F637-W642 AromaticContact CD2-CZ3 3.6Å; F637-W642 HydrophobicContact CD2-CZ3 3.6Å; F637-W642 HydrophobicContact CE2-CZ3 4.26Å; F637-W642 HydrophobicContact CG-CZ3 4.15Å; F637-N684 HydrophobicContact CB-CB 4.44Å; F637-N684 PolarHBondContact N-O 3.33Å; F637-N684 PolarHBondContact O-ND2 3.03Å; F637-L686 HydrophobicContact CE2-CB 4.38Å; F637-L686 HydrophobicContact CE2-CD1 4.3Å; F637-L686 HydrophobicContact CE2-CG 4.5Å; F637-L711 HydrophobicContact CE1-CD1 3.97Å; F637-L711 HydrophobicContact CZ-CD1 4.32Å; F637-L714 HydrophobicContact CE2-CD1 4.17Å; F637-L714 HydrophobicContact CZ-CD1 3.74Å; F637-V723 HydrophobicContact CE1-CG1 4.26Å; F637-P724 HydrophobicContact CB-CG 4.49Å; F637-P724 HydrophobicContact CD1-CG 4.03Å; F637-P724 WeakPolarHBondContact CE1-O 3.48Å; F637-P726 HydrophobicContact CD1-CB 4.48Å; F637-P726 HydrophobicContact CE1-CB 4.18Å
638	P	93.3	Very high	94.1	Very high	45 Å²	45	39.8 Å²	39.8	29%	0.292	20%	0.198	S	C	.	.	S	Bend	trans	-63.7	-31.6	176.4	25.8	-33.5	0	0	0	112.6	N684 P724 L727	P638-N684 PolarHBondContact O-ND2 3.46Å; P638-P724 HydrophobicContact CG-CB 3.7Å; P638-P724 HydrophobicContact CG-CG 3.96Å; P638-L727 HydrophobicContact CB-CD1 4.32Å; P638-L727 HydrophobicContact CB-CD2 4.47Å
639	E	91.2	Very high	94.1	Very high	110 Å²	110	40.1 Å²	40.1	51%	0.514	20%	0.202	S	C	.	.	S	Bend	trans	-134.2	154	-179.3	62.1	-177	170.7	0	0	111.9	F637 F641 N684 P724	F637-E639 WeakPolarHBondContact CB-O 3.26Å; F637-E639 PolarHBondContact O-N 2.85Å; E639-F641 VanDerWaalsContact C-N 3.26Å; E639-F641 HydrophobicContact CG-CB 4.36Å; E639-F641 PolarHBondContact O-N 3.09Å; E639-N684 VanDerWaalsContact C-ND2 3.35Å; E639-N684 VanDerWaalsContact CA-ND2 3.35Å; E639-N684 WeakPolarHBondContact CA-ND2 3.11Å; E639-N684 PolarHBondContact N-ND2 2.82Å; E639-P724 HydrophobicContact CG-CG 4.08Å
640	N	92.3	Very high	94.1	Very high	47 Å²	47	36.9 Å²	36.9	25%	0.251	19%	0.188	S	C	.	.			trans	-81.3	74.5	173.3	-168.7	-31	0	0	0	110	W642 A643 N684	N640-W642 PolarHBondContact O-N 3.19Å; N640-W642 VanDerWaalsContact OD1-CD1 3.24Å; N640-W642 PolarHBondContact OD1-NE1 3.34Å; N640-A643 HydrophobicContact CB-CB 4.44Å; N640-A643 VanDerWaalsContact OD1-CB 3.32Å; N640-A643 WeakPolarHBondContact OD1-CB 3.47Å; N640-A643 PolarHBondContact OD1-N 3.28Å; N640-N684 HydrophobicContact CB-CB 4.41Å; N640-N684 PolarHBondContact N-ND2 2.98Å
641	F	94.7	Very high	94.3	Very high	12 Å²	12	37.3 Å²	37.3	5%	0.053	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.7	-175.2	71.9	-99.9	0	0	0	112.5	F637 E639 L686 L714 F718 Q721 V723 P724	F637-F641 HydrophobicContact CB-CD1 4.46Å; F637-F641 HydrophobicContact CB-CE1 4.48Å; F637-F641 HydrophobicContact CD1-CD1 4.26Å; F637-F641 AromaticContact CD1-CE1 3.75Å; F637-F641 HydrophobicContact CD1-CE1 3.75Å; F637-F641 AromaticContact CD2-CE1 3.81Å; F637-F641 HydrophobicContact CD2-CE1 3.81Å; F637-F641 AromaticContact CE1-CE1 3.78Å; F637-F641 HydrophobicContact CE1-CE1 3.78Å; F637-F641 AromaticContact CE2-CE1 3.84Å; F637-F641 HydrophobicContact CE2-CE1 3.84Å; F637-F641 HydrophobicContact CE2-CZ 4.41Å; F637-F641 HydrophobicContact CG-CD1 4.17Å; F637-F641 AromaticContact CG-CE1 3.75Å; F637-F641 HydrophobicContact CG-CE1 3.75Å; F637-F641 AromaticContact CZ-CE1 3.82Å; F637-F641 HydrophobicContact CZ-CE1 3.82Å; F637-F641 HydrophobicContact CZ-CZ 4.29Å; E639-F641 VanDerWaalsContact C-N 3.26Å; E639-F641 HydrophobicContact CG-CB 4.36Å; E639-F641 PolarHBondContact O-N 3.09Å; F641-L686 HydrophobicContact CZ-CD1 4.17Å; F641-L714 HydrophobicContact CZ-CB 4.45Å; F641-L714 HydrophobicContact CZ-CD1 4.42Å; F641-L714 HydrophobicContact CZ-CD2 4.35Å; F641-F718 HydrophobicContact CD2-CD1 4.25Å; F641-F718 HydrophobicContact CD2-CD2 4.38Å; F641-F718 HydrophobicContact CD2-CG 4.18Å; F641-F718 HydrophobicContact CE2-CD1 4.32Å; F641-F718 AromaticContact CE2-CD2 3.68Å; F641-F718 HydrophobicContact CE2-CD2 3.68Å; F641-F718 HydrophobicContact CE2-CE1 4.47Å; F641-F718 AromaticContact CE2-CE2 3.88Å; F641-F718 HydrophobicContact CE2-CE2 3.88Å; F641-F718 AromaticContact CE2-CG 3.93Å; F641-F718 HydrophobicContact CE2-CG 3.93Å; F641-F718 HydrophobicContact CE2-CZ 4.28Å; F641-Q721 PolarHBondContact O-NE2 3.44Å; F641-V723 HydrophobicContact CD1-CG1 4.25Å; F641-V723 HydrophobicContact CD2-CG1 4.46Å; F641-V723 HydrophobicContact CD2-CG2 4.07Å; F641-V723 HydrophobicContact CE1-CG1 3.72Å; F641-V723 HydrophobicContact CE2-CB 4.49Å; F641-V723 HydrophobicContact CE2-CG1 3.97Å; F641-V723 HydrophobicContact CE2-CG2 3.83Å; F641-V723 HydrophobicContact CZ-CG1 3.57Å; F641-V723 HydrophobicContact CZ-CG2 4.3Å; F641-P724 HydrophobicContact CD1-CG 4.11Å
642	W	95.2	Very high	94.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-24.2	-175.5	55.9	91.8	0	0	0	114.2	F637 N640 K644 K645 T646 F652 D670 N684 L686 F718	F637-W642 HydrophobicContact CB-CZ3 4.24Å; F637-W642 HydrophobicContact CD2-CH2 4.03Å; F637-W642 AromaticContact CD2-CZ3 3.6Å; F637-W642 HydrophobicContact CD2-CZ3 3.6Å; F637-W642 HydrophobicContact CE2-CZ3 4.26Å; F637-W642 HydrophobicContact CG-CZ3 4.15Å; N640-W642 PolarHBondContact O-N 3.19Å; N640-W642 VanDerWaalsContact OD1-CD1 3.24Å; N640-W642 PolarHBondContact OD1-NE1 3.34Å; W642-K644 VanDerWaalsContact C-N 3.26Å; W642-K644 PolarHBondContact O-N 3.04Å; W642-K645 PolarHBondContact O-N 3.35Å; W642-K645 VanDerWaalsContact O-N 3.11Å; W642-T646 HydrophobicContact CB-CG2 4.12Å; W642-T646 PolarHBondContact O-N 2.89Å; W642-T646 PolarHBondContact O-OG1 2.97Å; W642-F652 HydrophobicContact CB-CE1 4.32Å; W642-F652 HydrophobicContact CG-CE1 4.34Å; W642-D670 PolarHBondContact NE1-OD2 2.83Å; W642-N684 HydrophobicContact CH2-CB 3.65Å; W642-N684 HydrophobicContact CZ2-CB 4.25Å; W642-N684 HydrophobicContact CZ3-CB 4.46Å; W642-L686 HydrophobicContact CD2-CD1 3.86Å; W642-L686 HydrophobicContact CD2-CD2 3.86Å; W642-L686 HydrophobicContact CD2-CG 3.93Å; W642-L686 HydrophobicContact CE3-CD1 3.61Å; W642-L686 HydrophobicContact CE3-CD2 4.33Å; W642-L686 HydrophobicContact CE3-CG 3.87Å; W642-L686 HydrophobicContact CG-CD1 4.46Å; W642-L686 HydrophobicContact CG-CD2 4.31Å; W642-L686 HydrophobicContact CH2-CD1 4.32Å; W642-L686 HydrophobicContact CH2-CD2 4.23Å; W642-L686 HydrophobicContact CH2-CG 3.7Å; W642-L686 HydrophobicContact CZ2-CD2 3.75Å; W642-L686 HydrophobicContact CZ2-CG 3.76Å; W642-L686 HydrophobicContact CZ3-CD1 3.87Å; W642-L686 HydrophobicContact CZ3-CG 3.78Å; W642-F718 HydrophobicContact CB-CE1 3.7Å; W642-F718 HydrophobicContact CB-CE2 4.42Å; W642-F718 HydrophobicContact CB-CZ 3.51Å
643	A	92.4	Very high	94.4	Very high	23 Å²	23	37 Å²	37	19%	0.19	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-38.7	-168.8	0	0	0	0	0	114.9	N640 Q647 S648	N640-A643 HydrophobicContact CB-CB 4.44Å; N640-A643 VanDerWaalsContact OD1-CB 3.32Å; N640-A643 WeakPolarHBondContact OD1-CB 3.47Å; N640-A643 PolarHBondContact OD1-N 3.28Å; A643-Q647 CarbonylContact O-C 3.52Å; A643-Q647 WeakPolarHBondContact O-CA 3.45Å; A643-Q647 PolarHBondContact O-N 3.41Å; A643-Q647 VanDerWaalsContact O-N 3.12Å; A643-S648 PolarHBondContact O-N 3.18Å
644	K	92.4	Very high	94.4	Very high	187 Å²	187	37 Å²	37	81%	0.813	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-50.7	-179.4	-174.8	-177.7	177.5	-174.5	0	111.6	W642 Q647	W642-K644 VanDerWaalsContact C-N 3.26Å; W642-K644 PolarHBondContact O-N 3.04Å; K644-Q647 PolarHBondContact O-N 3.06Å
645	K	94.6	Very high	94.3	Very high	48 Å²	48	37 Å²	37	21%	0.209	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-38.7	-176.7	-163.4	-173.8	-163.3	152.2	0	111.7	F441 G445 W642 Q647 L717 F718 E720	F441-K645 HydrophobicContact CD1-CD 4.3Å; F441-K645 HydrophobicContact CE1-CD 3.65Å; F441-K645 VanDerWaalsContact CE1-CE 3.49Å; F441-K645 HydrophobicContact CE1-CG 3.78Å; F441-K645 HydrophobicContact CZ-CD 3.91Å; F441-K645 HydrophobicContact CZ-CG 3.87Å; G445-K645 VanDerWaalsContact O-CE 3.25Å; G445-K645 WeakPolarHBondContact O-CE 3.42Å; G445-K645 PolarHBondContact O-NZ 3.1Å; W642-K645 PolarHBondContact O-N 3.35Å; W642-K645 VanDerWaalsContact O-N 3.11Å; K645-Q647 VanDerWaalsContact C-N 3.28Å; K645-Q647 PolarHBondContact O-N 3.14Å; K645-L717 PolarHBondContact NZ-O 3.48Å; K645-F718 HydrophobicContact CB-CD1 4.24Å; K645-F718 HydrophobicContact CB-CE1 3.83Å; K645-F718 HydrophobicContact CD-CD1 3.66Å; K645-F718 HydrophobicContact CD-CE1 3.67Å; K645-F718 HydrophobicContact CG-CE1 4.35Å; K645-E720 WeakPolarHBondContact CD-OE1 3.4Å; K645-E720 VanDerWaalsContact CE-OE1 3.23Å; K645-E720 WeakPolarHBondContact CE-OE1 3.35Å; K645-E720 VanDerWaalsContact NZ-CD 3.31Å; K645-E720 IonicContact NZ-OE1 3.73Å; K645-E720 PolarHBondContact NZ-OE1 3.19Å; K645-E720 IonicContact NZ-OE2 2.66Å; K645-E720 PolarHBondContact NZ-OE2 3.04Å
646	T	93.9	Very high	94.1	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.025	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.1	-179.8	68.6	0	0	0	0	113.3	F441 W642 S648 A649 F652 F718	F441-T646 HydrophobicContact CE2-CG2 4.16Å; F441-T646 HydrophobicContact CZ-CG2 4.37Å; W642-T646 HydrophobicContact CB-CG2 4.12Å; W642-T646 PolarHBondContact O-N 2.89Å; W642-T646 PolarHBondContact O-OG1 2.97Å; T646-S648 PolarHBondContact O-N 3.36Å; T646-A649 VanDerWaalsContact O-CB 3.24Å; T646-A649 WeakPolarHBondContact O-CB 3.31Å; T646-A649 PolarHBondContact O-N 3.27Å; T646-F652 HydrophobicContact CG2-CB 4.14Å; T646-F652 HydrophobicContact CG2-CD1 3.58Å; T646-F652 HydrophobicContact CG2-CE1 4.08Å; T646-F652 HydrophobicContact CG2-CG 3.9Å; T646-F718 HydrophobicContact CG2-CZ 4.33Å
647	Q	92.1	Very high	93.8	Very high	174 Å²	174	38 Å²	38	81%	0.813	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	38.6	-173.1	-54.4	179.9	24.3	0	0	112.3	A643 K644 K645 A649	A643-Q647 CarbonylContact O-C 3.52Å; A643-Q647 WeakPolarHBondContact O-CA 3.45Å; A643-Q647 PolarHBondContact O-N 3.41Å; A643-Q647 VanDerWaalsContact O-N 3.12Å; K644-Q647 PolarHBondContact O-N 3.06Å; K645-Q647 VanDerWaalsContact C-N 3.28Å; K645-Q647 PolarHBondContact O-N 3.14Å; Q647-A649 PolarHBondContact O-N 2.94Å
648	S	90.5	Very high	93.4	Very high	69 Å²	69	42.5 Å²	42.5	48%	0.483	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	19.7	-177.8	-57.3	0	0	0	0	115.9	A643 T646 K674	A643-S648 PolarHBondContact O-N 3.18Å; T646-S648 PolarHBondContact O-N 3.36Å; S648-K674 PolarHBondContact O-NZ 3.21Å; S648-K674 VanDerWaalsContact O-NZ 3.07Å
649	A	93.5	Very high	93.1	Very high	9 Å²	9	46.1 Å²	46.1	7%	0.074	25%	0.246	C	C	.	.			trans	-51.2	147.8	173.3	0	0	0	0	0	112	P439 T646 Q647 Y651	P439-A649 HydrophobicContact CG-CB 4.37Å; T646-A649 VanDerWaalsContact O-CB 3.24Å; T646-A649 WeakPolarHBondContact O-CB 3.31Å; T646-A649 PolarHBondContact O-N 3.27Å; Q647-A649 PolarHBondContact O-N 2.94Å; A649-Y651 WeakPolarHBondContact CB-O 3.42Å; A649-Y651 PolarHBondContact O-N 2.94Å
650	D	94.2	Very high	93.1	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.08	24%	0.235	C	C	.	.	S	Bend	trans	-68.4	-21.5	179.2	-74.2	-67.2	0	0	0	112.8	R432 L434 S435 D670	R432-D650 IonicContact CZ-OD1 2.67Å; R432-D650 VanDerWaalsContact CZ-OD1 3.26Å; R432-D650 IonicContact NE-OD1 3.64Å; R432-D650 PolarHBondContact NE-OD1 3.07Å; R432-D650 IonicContact NH2-OD1 3.65Å; R432-D650 PolarHBondContact NH2-OD1 2.86Å; L434-D650 HydrophobicContact CD2-CB 3.88Å; S435-D650 WeakPolarHBondContact CB-OD2 3.45Å; S435-D650 PolarHBondContact N-OD2 3.23Å; S435-D650 PolarHBondContact OG-OD2 3.49Å; D650-D670 PolarHBondContact O-N 3.24Å
651	Y	96.1	Very high	92.9	Very high	16 Å²	16	43 Å²	43	6%	0.063	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	161.4	178.3	43	-86.2	0	0	0	110.5	L434 S435 C438 A649 V667 F668 Y669	L434-Y651 HydrophobicContact CB-CE1 4.24Å; L434-Y651 HydrophobicContact CD1-CE1 4.35Å; S435-Y651 WeakPolarHBondContact O-CE1 3.39Å; S435-Y651 PolarHBondContact O-OH 3.15Å; C438-Y651 HydrophobicContact CB-CD2 3.8Å; C438-Y651 HydrophobicContact CB-CE2 3.67Å; A649-Y651 WeakPolarHBondContact CB-O 3.42Å; A649-Y651 PolarHBondContact O-N 2.94Å; Y651-V667 HydrophobicContact CD2-CG1 4.45Å; Y651-F668 CarbonylContact C-O 3.37Å; Y651-F668 WeakPolarHBondContact CA-O 3.3Å; Y651-F668 WeakPolarHBondContact CB-O 3.25Å; Y651-Y669 HydrophobicContact CD1-CD1 4.07Å; Y651-Y669 HydrophobicContact CD1-CE1 4.18Å; Y651-Y669 HydrophobicContact CG-CD1 4.16Å; Y651-Y669 HydrophobicContact CG-CE1 4.19Å
652	F	97	Very high	92.6	Very high	1 Å²	1	45 Å²	45	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	151.8	176.2	60.3	-89.2	0	0	0	111	P439 F441 W642 T646 F668 L686 L714 L717 F718	P439-F652 HydrophobicContact CG-CB 3.87Å; P439-F652 WeakPolarHBondContact O-CA 3.4Å; P439-F652 WeakPolarHBondContact O-CB 3.29Å; F441-F652 HydrophobicContact CD2-CB 4.31Å; F441-F652 AromaticContact CD2-CD2 3.93Å; F441-F652 HydrophobicContact CD2-CD2 3.93Å; F441-F652 HydrophobicContact CD2-CG 4.47Å; F441-F652 HydrophobicContact CE2-CB 3.88Å; F441-F652 AromaticContact CE2-CD2 3.98Å; F441-F652 HydrophobicContact CE2-CD2 3.98Å; F441-F652 HydrophobicContact CE2-CG 4.13Å; W642-F652 HydrophobicContact CB-CE1 4.32Å; W642-F652 HydrophobicContact CG-CE1 4.34Å; T646-F652 HydrophobicContact CG2-CB 4.14Å; T646-F652 HydrophobicContact CG2-CD1 3.58Å; T646-F652 HydrophobicContact CG2-CE1 4.08Å; T646-F652 HydrophobicContact CG2-CG 3.9Å; F652-F668 HydrophobicContact CD1-CB 4.11Å; F652-F668 HydrophobicContact CD2-CB 4.11Å; F652-F668 HydrophobicContact CD2-CD2 4.19Å; F652-F668 HydrophobicContact CE1-CB 3.65Å; F652-F668 HydrophobicContact CE1-CG 4.5Å; F652-F668 HydrophobicContact CE2-CB 3.64Å; F652-F668 AromaticContact CE2-CD2 3.57Å; F652-F668 HydrophobicContact CE2-CD2 3.57Å; F652-F668 HydrophobicContact CE2-CE2 4.45Å; F652-F668 AromaticContact CE2-CG 3.78Å; F652-F668 HydrophobicContact CE2-CG 3.78Å; F652-F668 HydrophobicContact CG-CB 4.34Å; F652-F668 HydrophobicContact CZ-CB 3.4Å; F652-F668 HydrophobicContact CZ-CD2 4.05Å; F652-F668 AromaticContact CZ-CG 3.77Å; F652-F668 HydrophobicContact CZ-CG 3.77Å; F652-F668 PolarHBondContact N-O 2.92Å; F652-F668 PolarHBondContact O-N 2.95Å; F652-L686 HydrophobicContact CE1-CD1 4.24Å; F652-L686 HydrophobicContact CE1-CD2 3.85Å; F652-L686 HydrophobicContact CZ-CD1 3.98Å; F652-L686 HydrophobicContact CZ-CD2 4.36Å; F652-L714 HydrophobicContact CE2-CD2 4.4Å; F652-L714 HydrophobicContact CZ-CD2 4.09Å; F652-L717 HydrophobicContact CE2-CD1 4.1Å; F652-F718 AromaticContact CE2-CE2 3.96Å; F652-F718 HydrophobicContact CE2-CE2 3.96Å; F652-F718 HydrophobicContact CE2-CZ 4.11Å; F652-F718 AromaticContact CZ-CE2 3.94Å; F652-F718 HydrophobicContact CZ-CE2 3.94Å; F652-F718 AromaticContact CZ-CZ 3.95Å; F652-F718 HydrophobicContact CZ-CZ 3.95Å
653	G	96.2	Very high	92.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	147.9	-177.4	0	0	0	0	0	113.5	P439 F441 N666	P439-G653 PolarHBondContact O-N 2.83Å; F441-G653 PolarHBondContact N-O 2.78Å; G653-N666 CarbonylContact C-O 3.53Å; G653-N666 WeakPolarHBondContact CA-O 3.34Å
654	N	95.8	Very high	92.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.011	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.9	171	170.9	35.6	0	0	0	109	F509 A656 L664 F665 N666 F668 T713 L717	F509-N654 WeakPolarHBondContact CD2-O 3.43Å; N654-A656 PolarHBondContact O-N 3.5Å; N654-L664 PolarHBondContact ND2-O 2.97Å; N654-F665 VanDerWaalsContact CB-O 3.26Å; N654-F665 WeakPolarHBondContact CB-O 3.26Å; N654-F665 PolarHBondContact ND2-O 3.12Å; N654-N666 PolarHBondContact N-O 3.07Å; N654-F668 HydrophobicContact CB-CE2 4.24Å; N654-T713 WeakPolarHBondContact ND2-CG2 3.29Å; N654-L717 HydrophobicContact CB-CD1 3.93Å; N654-L717 HydrophobicContact CB-CD2 4.45Å
655	V	95.3	Very high	92.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	99.1	174.7	-175.8	0	0	0	0	107.8	L440 F441 S443 V448 E505 L506 F509	L440-V655 HydrophobicContact CB-CG2 4.17Å; F441-V655 WeakPolarHBondContact O-CB 3.46Å; F441-V655 PolarHBondContact O-N 3.04Å; S443-V655 PolarHBondContact N-O 3.38Å; S443-V655 PolarHBondContact OG-O 3.21Å; V448-V655 HydrophobicContact CG2-CG2 3.95Å; E505-V655 HydrophobicContact CB-CG1 3.63Å; L506-V655 HydrophobicContact CD2-CG1 4.23Å; L506-V655 HydrophobicContact CD2-CG2 3.68Å; L506-V655 HydrophobicContact CG-CG1 4.4Å; F509-V655 HydrophobicContact CB-CG2 4.49Å; F509-V655 HydrophobicContact CD2-CG2 4.28Å; F509-V655 HydrophobicContact CG-CG2 4.43Å
656	A	92.8	Very high	92.1	Very high	7 Å²	7	33.7 Å²	33.7	6%	0.058	19%	0.189	C	C	.	.			trans	-65.9	137.2	-179.2	0	0	0	0	0	110.2	S443 N654 L660	S443-A656 WeakPolarHBondContact OG-CA 3.43Å; N654-A656 PolarHBondContact O-N 3.5Å; A656-L660 HydrophobicContact CB-CB 4.36Å
657	S	91.6	Very high	92.2	Very high	30 Å²	30	34.3 Å²	34.3	21%	0.21	19%	0.193	C	C	.	.			trans	-66.5	154.6	175.9	-174.4	0	0	0	0	111.3	S443 E505 T659 L660	S443-S657 PolarHBondContact OG-N 3.09Å; E505-S657 WeakPolarHBondContact OE1-CA 3.21Å; E505-S657 WeakPolarHBondContact OE1-CB 3.46Å; E505-S657 PolarHBondContact OE1-OG 3.37Å; S657-T659 PolarHBondContact O-N 2.71Å; S657-L660 PolarHBondContact O-N 3.17Å
658	V	87.2	Confident	92.4	Very high	94 Å²	94	26 Å²	26	57%	0.57	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-18.7	177.9	-63	0	0	0	0	114.7	E505 L660	E505-V658 HydrophobicContact CG-CG1 3.57Å; E505-V658 PolarHBondContact OE1-N 3.47Å; V658-L660 VanDerWaalsContact C-N 3.34Å
659	T	87	Confident	92.7	Very high	120 Å²	120	23.1 Å²	23.1	74%	0.736	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-5.4	176.3	64.1	0	0	0	0	113.9	S657	S657-T659 PolarHBondContact O-N 2.71Å
660	L	89.3	Confident	92.8	Very high	56 Å²	56	22.8 Å²	22.8	29%	0.293	13%	0.129	S	C	.	.	S	Bend	trans	-117.3	154.2	-178.3	-64.9	174.1	0	0	0	110.5	A656 S657 V658 R662 L664	A656-L660 HydrophobicContact CB-CB 4.36Å; S657-L660 PolarHBondContact O-N 3.17Å; V658-L660 VanDerWaalsContact C-N 3.34Å; L660-R662 PolarHBondContact O-N 3.01Å; L660-L664 HydrophobicContact CB-CD2 4.35Å; L660-L664 HydrophobicContact CD1-CD2 4.32Å; L660-L664 HydrophobicContact CD2-CD2 4.23Å
661	P	89.9	Confident	92.7	Very high	35 Å²	35	22.4 Å²	22.4	23%	0.227	13%	0.127	C	C	.	.			trans	-53.5	131.8	171.1	-27.6	36.5	0	0	0	111.7	G663 L664 E693 V694 L697	P661-G663 PolarHBondContact O-N 2.88Å; P661-G663 VanDerWaalsContact O-N 3.09Å; P661-L664 HydrophobicContact CB-CB 4.31Å; P661-L664 WeakPolarHBondContact O-CB 3.31Å; P661-L664 PolarHBondContact O-N 2.98Å; P661-E693 WeakPolarHBondContact CA-OE1 3.37Å; P661-E693 HydrophobicContact CB-CG 4.03Å; P661-E693 WeakPolarHBondContact CB-OE1 3.5Å; P661-V694 HydrophobicContact CB-CG2 4Å; P661-L697 HydrophobicContact CG-CD1 4.39Å
662	R	88.3	Confident	92.4	Very high	54 Å²	54	21.8 Å²	21.8	20%	0.204	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27	-171.8	59.3	171.4	169.4	-126.3	-5.4	114	E515 L660 E693	E515-R662 VanDerWaalsContact CD-NE 3.34Å; E515-R662 IonicContact OE1-CZ 2.75Å; E515-R662 IonicContact OE1-NE 3.41Å; E515-R662 PolarHBondContact OE1-NE 2.97Å; E515-R662 IonicContact OE1-NH2 3.82Å; E515-R662 PolarHBondContact OE1-NH2 3.2Å; E515-R662 IonicContact OE2-CZ 3.2Å; E515-R662 IonicContact OE2-NE 2.72Å; E515-R662 PolarHBondContact OE2-NE 2.89Å; E515-R662 IonicContact OE2-NH2 2.95Å; L660-R662 PolarHBondContact O-N 3.01Å; R662-E693 PolarHBondContact N-OE1 3.09Å
663	G	85.1	Confident	91.8	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.021	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4.6	178.7	0	0	0	0	0	115.4	S512 P661 F665 V694	S512-G663 WeakPolarHBondContact OG-CA 3.38Å; P661-G663 PolarHBondContact O-N 2.88Å; P661-G663 VanDerWaalsContact O-N 3.09Å; G663-F665 PolarHBondContact O-N 2.87Å; G663-V694 VanDerWaalsContact C-CG2 3.43Å
664	L	91	Very high	90.8	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.052	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	100.3	-172.6	-171.9	68.2	0	0	0	110.3	N654 L660 P661 N666 V694	N654-L664 PolarHBondContact ND2-O 2.97Å; L660-L664 HydrophobicContact CB-CD2 4.35Å; L660-L664 HydrophobicContact CD1-CD2 4.32Å; L660-L664 HydrophobicContact CD2-CD2 4.23Å; P661-L664 HydrophobicContact CB-CB 4.31Å; P661-L664 WeakPolarHBondContact O-CB 3.31Å; P661-L664 PolarHBondContact O-N 2.98Å; L664-N666 PolarHBondContact O-N 3.25Å; L664-V694 HydrophobicContact CB-CG2 4.47Å; L664-V694 HydrophobicContact CD1-CG1 4.15Å
665	F	93.2	Very high	89	Confident	1 Å²	1	36.8 Å²	36.8	0%	0.004	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	50.4	-175.7	-46.5	-70.2	0	0	0	114.1	V633 N654 G663 V667 F668 C688 L690 I709 C710 T713	V633-F665 HydrophobicContact CG1-CD1 3.83Å; V633-F665 HydrophobicContact CG1-CE1 3.67Å; N654-F665 VanDerWaalsContact CB-O 3.26Å; N654-F665 WeakPolarHBondContact CB-O 3.26Å; N654-F665 PolarHBondContact ND2-O 3.12Å; G663-F665 PolarHBondContact O-N 2.87Å; F665-V667 PolarHBondContact O-N 3.45Å; F665-F668 HydrophobicContact CB-CE1 4.41Å; F665-F668 HydrophobicContact CB-CE2 3.91Å; F665-F668 HydrophobicContact CB-CZ 3.59Å; F665-F668 HydrophobicContact CG-CZ 4.33Å; F665-F668 WeakPolarHBondContact O-CE2 3.38Å; F665-C688 VanDerWaalsContact C-SG 3.55Å; F665-C688 WeakPolarHBondContact CA-SG 3.35Å; F665-C688 HydrophobicContact CD1-CB 4.25Å; F665-L690 HydrophobicContact CD1-CD2 3.46Å; F665-L690 VanDerWaalsContact CD1-CD2 3.46Å; F665-L690 HydrophobicContact CE1-CD1 4.43Å; F665-L690 HydrophobicContact CE1-CD2 3.52Å; F665-L690 HydrophobicContact CG-CD2 4.47Å; F665-I709 HydrophobicContact CE2-CB 4.18Å; F665-I709 HydrophobicContact CE2-CG2 3.71Å; F665-I709 HydrophobicContact CZ-CB 4.32Å; F665-I709 HydrophobicContact CZ-CG2 4.26Å; F665-C710 HydrophobicContact CD1-CB 4.04Å; F665-C710 HydrophobicContact CE1-CB 3.6Å; F665-C710 HydrophobicContact CE2-CB 4.15Å; F665-C710 HydrophobicContact CZ-CB 3.66Å; F665-T713 HydrophobicContact CB-CG2 4.27Å; F665-T713 HydrophobicContact CD2-CG2 4.2Å; F665-T713 WeakPolarHBondContact CD2-OG1 3.41Å
666	N	93.4	Very high	86.9	Confident	9 Å²	9	41.9 Å²	41.9	5%	0.048	23%	0.226	C	C	.	.			trans	-57.2	-46.1	-171.9	179.7	-40.1	0	0	0	114	F509 S512 G653 N654 L664	F509-N666 WeakPolarHBondContact CD2-OD1 3.28Å; F509-N666 WeakPolarHBondContact CE2-OD1 3.43Å; F509-N666 WeakPolarHBondContact CZ-OD1 3.48Å; F509-N666 PolarHBondContact O-ND2 3.2Å; F509-N666 VanDerWaalsContact O-ND2 3.13Å; S512-N666 WeakPolarHBondContact CB-ND2 3.45Å; S512-N666 PolarHBondContact OG-ND2 3.2Å; G653-N666 CarbonylContact C-O 3.53Å; G653-N666 WeakPolarHBondContact CA-O 3.34Å; N654-N666 PolarHBondContact N-O 3.07Å; L664-N666 PolarHBondContact O-N 3.25Å
667	V	96.1	Very high	84.4	Confident	16 Å²	16	47.1 Å²	47.1	10%	0.097	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126	-179.4	-174.5	0	0	0	0	111.3	F509 Y651 F665 Y669 C688	F509-V667 HydrophobicContact CE2-CG2 4.42Å; F509-V667 HydrophobicContact CZ-CG2 4.33Å; Y651-V667 HydrophobicContact CD2-CG1 4.45Å; F665-V667 PolarHBondContact O-N 3.45Å; V667-Y669 HydrophobicContact CB-CE2 3.88Å; V667-Y669 HydrophobicContact CG1-CD2 4Å; V667-Y669 HydrophobicContact CG1-CE2 3.52Å; V667-C688 PolarHBondContact O-SG 3.24Å
668	F	97.3	Very high	82	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.7	172.5	-69	-88.9	0	0	0	110.5	Y651 F652 N654 F665 L686 M687 C688 T713 L714 L717	Y651-F668 CarbonylContact C-O 3.37Å; Y651-F668 WeakPolarHBondContact CA-O 3.3Å; Y651-F668 WeakPolarHBondContact CB-O 3.25Å; F652-F668 HydrophobicContact CD1-CB 4.11Å; F652-F668 HydrophobicContact CD2-CB 4.11Å; F652-F668 HydrophobicContact CD2-CD2 4.19Å; F652-F668 HydrophobicContact CE1-CB 3.65Å; F652-F668 HydrophobicContact CE1-CG 4.5Å; F652-F668 HydrophobicContact CE2-CB 3.64Å; F652-F668 AromaticContact CE2-CD2 3.57Å; F652-F668 HydrophobicContact CE2-CD2 3.57Å; F652-F668 HydrophobicContact CE2-CE2 4.45Å; F652-F668 AromaticContact CE2-CG 3.78Å; F652-F668 HydrophobicContact CE2-CG 3.78Å; F652-F668 HydrophobicContact CG-CB 4.34Å; F652-F668 HydrophobicContact CZ-CB 3.4Å; F652-F668 HydrophobicContact CZ-CD2 4.05Å; F652-F668 AromaticContact CZ-CG 3.77Å; F652-F668 HydrophobicContact CZ-CG 3.77Å; F652-F668 PolarHBondContact N-O 2.92Å; F652-F668 PolarHBondContact O-N 2.95Å; N654-F668 HydrophobicContact CB-CE2 4.24Å; F665-F668 HydrophobicContact CB-CE1 4.41Å; F665-F668 HydrophobicContact CB-CE2 3.91Å; F665-F668 HydrophobicContact CB-CZ 3.59Å; F665-F668 HydrophobicContact CG-CZ 4.33Å; F665-F668 WeakPolarHBondContact O-CE2 3.38Å; F668-L686 HydrophobicContact CB-CD2 4.47Å; F668-L686 HydrophobicContact CD1-CB 4.37Å; F668-L686 HydrophobicContact CD1-CD1 4.46Å; F668-M687 CarbonylContact C-O 3.57Å; F668-M687 WeakPolarHBondContact CA-O 3.43Å; F668-C688 HydrophobicContact CD1-CB 4.12Å; F668-C688 HydrophobicContact CE1-CB 4.18Å; F668-T713 HydrophobicContact CE2-CG2 4.44Å; F668-T713 HydrophobicContact CZ-CG2 4.34Å; F668-L714 HydrophobicContact CD1-CD2 3.88Å; F668-L714 HydrophobicContact CD1-CG 4.42Å; F668-L714 HydrophobicContact CD2-CD2 4.38Å; F668-L714 HydrophobicContact CE1-CD1 3.99Å; F668-L714 HydrophobicContact CE1-CD2 3.63Å; F668-L714 HydrophobicContact CE1-CG 3.73Å; F668-L714 HydrophobicContact CE2-CD2 4.17Å; F668-L714 HydrophobicContact CG-CD2 4.24Å; F668-L714 HydrophobicContact CZ-CD2 3.78Å; F668-L714 HydrophobicContact CZ-CG 3.86Å; F668-L717 HydrophobicContact CD2-CD1 4.26Å; F668-L717 HydrophobicContact CE2-CD1 3.82Å
669	Y	96.3	Very high	80.3	Confident	8 Å²	8	48.3 Å²	48.3	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.9	178.5	-65.2	-104.1	0	0	0	110.6	M1 L411 Y651 V667 F671 L686 M687 Y689	M1-Y669 HydrophobicContact CE-CE1 4.32Å; L411-Y669 HydrophobicContact CD1-CE1 4.13Å; Y651-Y669 HydrophobicContact CD1-CD1 4.07Å; Y651-Y669 HydrophobicContact CD1-CE1 4.18Å; Y651-Y669 HydrophobicContact CG-CD1 4.16Å; Y651-Y669 HydrophobicContact CG-CE1 4.19Å; V667-Y669 HydrophobicContact CB-CE2 3.88Å; V667-Y669 HydrophobicContact CG1-CD2 4Å; V667-Y669 HydrophobicContact CG1-CE2 3.52Å; Y669-F671 HydrophobicContact CG-CE2 4.31Å; Y669-F671 PolarHBondContact O-N 2.89Å; Y669-L686 WeakPolarHBondContact O-CA 3.45Å; Y669-M687 PolarHBondContact N-O 2.92Å; Y669-M687 PolarHBondContact O-N 2.61Å; Y669-Y689 AromaticContact CD2-CD2 3.66Å; Y669-Y689 HydrophobicContact CD2-CD2 3.66Å; Y669-Y689 AromaticContact CD2-CE2 3.46Å; Y669-Y689 HydrophobicContact CD2-CE2 3.46Å; Y669-Y689 VanDerWaalsContact CD2-CE2 3.46Å; Y669-Y689 AromaticContact CE2-CD2 3.38Å; Y669-Y689 HydrophobicContact CE2-CD2 3.38Å; Y669-Y689 AromaticContact CE2-CE2 3.41Å; Y669-Y689 HydrophobicContact CE2-CE2 3.41Å; Y669-Y689 VanDerWaalsContact CE2-CE2 3.41Å; Y669-Y689 HydrophobicContact CG-CE2 4.11Å
670	D	95	Very high	78.5	Confident	1 Å²	1	46 Å²	46	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	104.1	176.6	-174.8	-4.6	0	0	0	110.6	R432 W642 D650 S672 K674	R432-D670 PolarHBondContact NH2-O 3.4Å; W642-D670 PolarHBondContact NE1-OD2 2.83Å; D650-D670 PolarHBondContact O-N 3.24Å; D670-S672 VanDerWaalsContact C-N 3.32Å; D670-S672 WeakPolarHBondContact OD1-CA 3.32Å; D670-S672 WeakPolarHBondContact OD1-CB 3.49Å; D670-S672 PolarHBondContact OD1-N 2.74Å; D670-S672 PolarHBondContact OD1-OG 3.15Å; D670-K674 WeakPolarHBondContact OD2-CE 3.3Å; D670-K674 IonicContact OD2-NZ 3.46Å; D670-K674 PolarHBondContact OD2-NZ 3.21Å
671	F	93.6	Very high	77	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.035	30%	0.299	C	S	.	.			trans	-94.3	8	178.8	-80.8	-150.5	0	0	0	112.4	T403 L545 Y669 V685 M687	T403-F671 PolarHBondContact OG1-O 3.06Å; L545-F671 HydrophobicContact CD1-CD1 4.4Å; L545-F671 HydrophobicContact CD1-CD2 4.11Å; L545-F671 HydrophobicContact CD1-CE1 4.02Å; L545-F671 HydrophobicContact CD1-CE2 3.63Å; L545-F671 HydrophobicContact CD1-CG 4.47Å; L545-F671 HydrophobicContact CD1-CZ 3.58Å; L545-F671 HydrophobicContact CD2-CD2 3.84Å; L545-F671 HydrophobicContact CD2-CE2 4.16Å; L545-F671 HydrophobicContact CD2-CG 4.13Å; Y669-F671 HydrophobicContact CG-CE2 4.31Å; Y669-F671 PolarHBondContact O-N 2.89Å; F671-V685 HydrophobicContact CB-CB 4.21Å; F671-V685 HydrophobicContact CB-CG1 4.24Å; F671-V685 PolarHBondContact N-O 2.78Å; F671-M687 HydrophobicContact CD1-CB 4.28Å; F671-M687 HydrophobicContact CD2-CB 4.06Å; F671-M687 HydrophobicContact CE1-CB 4.08Å; F671-M687 HydrophobicContact CE1-CE 4.06Å; F671-M687 HydrophobicContact CE1-CG 4.11Å; F671-M687 HydrophobicContact CE2-CB 3.94Å; F671-M687 HydrophobicContact CE2-CG 4.31Å; F671-M687 HydrophobicContact CG-CB 4.25Å; F671-M687 HydrophobicContact CZ-CB 3.95Å; F671-M687 HydrophobicContact CZ-CG 3.91Å
672	S	90	Very high	75.8	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.014	29%	0.291	C	S	.	.	S	Bend	trans	-69.8	144.8	-179.9	-39.4	0	0	0	0	110.6	R432 D670 K674 N684 V685	R432-S672 PolarHBondContact NH1-O 2.94Å; D670-S672 VanDerWaalsContact C-N 3.32Å; D670-S672 WeakPolarHBondContact OD1-CA 3.32Å; D670-S672 WeakPolarHBondContact OD1-CB 3.49Å; D670-S672 PolarHBondContact OD1-N 2.74Å; D670-S672 PolarHBondContact OD1-OG 3.15Å; S672-K674 PolarHBondContact O-N 2.93Å; S672-N684 WeakPolarHBondContact OG-CA 3.41Å; S672-V685 PolarHBondContact OG-N 2.94Å; S672-V685 VanDerWaalsContact OG-N 3.09Å
673	P	83	Confident	75.6	Confident	54 Å²	54	45.5 Å²	45.5	35%	0.351	29%	0.286	S	S	.	.			trans	-58.9	132.9	169.4	-22.4	33.9	0	0	0	111.2	C679 S683	P673-C679 HydrophobicContact CB-CB 4.49Å; P673-C679 VanDerWaalsContact CB-SG 3.55Å; P673-S683 WeakPolarHBondContact CD-O 3.21Å
674	K	76.4	Confident	76	Confident	76 Å²	76	46.9 Å²	46.9	33%	0.33	29%	0.293	S	S	.	.	S	Bend	trans	-99.8	-8	-177.7	-68	-72.7	-166.7	-177.1	0	114.6	S648 D670 S672	S648-K674 PolarHBondContact O-NZ 3.21Å; S648-K674 VanDerWaalsContact O-NZ 3.07Å; D670-K674 WeakPolarHBondContact OD2-CE 3.3Å; D670-K674 IonicContact OD2-NZ 3.46Å; D670-K674 PolarHBondContact OD2-NZ 3.21Å; S672-K674 PolarHBondContact O-N 2.93Å
675	Q	58	Low	76.2	Confident	188 Å²	188	46.4 Å²	46.4	88%	0.879	29%	0.29	S	S	*	.	S	Bend	trans	-138.4	8.2	-164.6	-72.7	-173	-0.5	0	0	116.7
676	D	49.8	Very low	76.4	Confident	107 Å²	107	46.5 Å²	46.5	57%	0.572	29%	0.291	S	S	*	.			trans	-115.4	104.9	172.6	-95.6	-40.9	0	0	0	109.7	S678 C679	D676-S678 PolarHBondContact O-N 3.44Å; D676-S678 VanDerWaalsContact O-N 3.1Å; D676-S678 PolarHBondContact OD1-OG 2.98Å; D676-C679 HydrophobicContact CB-CB 4.4Å; D676-C679 WeakPolarHBondContact CB-SG 3.19Å; D676-C679 WeakPolarHBondContact O-CB 3.45Å; D676-C679 PolarHBondContact O-N 3.04Å
677	A	40.4	Very low	76.6	Confident	118 Å²	118	46.1 Å²	46.1	98%	0.975	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.1	168.6	0	0	0	0	0	112.4
678	S	42.9	Very low	76.5	Confident	96 Å²	96	45.4 Å²	45.4	67%	0.671	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.1	171.8	60.6	0	0	0	0	113.6	D676 A680	D676-S678 PolarHBondContact O-N 3.44Å; D676-S678 VanDerWaalsContact O-N 3.1Å; D676-S678 PolarHBondContact OD1-OG 2.98Å; S678-A680 PolarHBondContact O-N 2.9Å; S678-A680 VanDerWaalsContact O-N 3.14Å
679	C	49.6	Very low	76.3	Confident	52 Å²	52	46.3 Å²	46.3	35%	0.351	29%	0.288	S	S	.	.	S	Bend	trans	-64.9	118.4	176.5	-80	0	0	0	0	109.8	P673 D676 S681	P673-C679 HydrophobicContact CB-CB 4.49Å; P673-C679 VanDerWaalsContact CB-SG 3.55Å; D676-C679 HydrophobicContact CB-CB 4.4Å; D676-C679 WeakPolarHBondContact CB-SG 3.19Å; D676-C679 WeakPolarHBondContact O-CB 3.45Å; D676-C679 PolarHBondContact O-N 3.04Å; C679-S681 PolarHBondContact O-N 3.09Å
680	A	50.7	Low	76.2	Confident	71 Å²	71	45.9 Å²	45.9	59%	0.587	29%	0.286	S	S	*	.			trans	-48.9	135.4	-179.8	0	0	0	0	0	111.3	S678 G682 S683	S678-A680 PolarHBondContact O-N 2.9Å; S678-A680 VanDerWaalsContact O-N 3.14Å; A680-G682 PolarHBondContact O-N 3.34Å; A680-S683 PolarHBondContact O-N 2.75Å
681	S	57.7	Low	75.9	Confident	118 Å²	118	46 Å²	46	83%	0.825	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.3	117.2	162.9	174.5	0	0	0	0	109.3	C679	C679-S681 PolarHBondContact O-N 3.09Å
682	G	64.7	Low	75.5	Confident	6 Å²	6	46.2 Å²	46.2	6%	0.062	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	118.2	-6.7	-179	0	0	0	0	0	116.8	Q636 A680 N684	Q636-G682 VanDerWaalsContact CD-O 3.31Å; Q636-G682 WeakPolarHBondContact CG-O 3.12Å; Q636-G682 PolarHBondContact NE2-O 3.15Å; A680-G682 PolarHBondContact O-N 3.34Å; G682-N684 PolarHBondContact O-N 2.78Å; G682-N684 VanDerWaalsContact O-N 3.17Å
683	S	83.9	Confident	75.3	Confident	12 Å²	12	50.5 Å²	50.5	8%	0.084	31%	0.311	C	S	.	.			trans	-82.7	23.3	177.5	-63.7	0	0	0	0	114.7	G402 P673 A680	G402-S683 WeakPolarHBondContact O-CB 3.34Å; G402-S683 PolarHBondContact O-OG 3.48Å; P673-S683 WeakPolarHBondContact CD-O 3.21Å; A680-S683 PolarHBondContact O-N 2.75Å
684	N	93.4	Very high	75.6	Confident	31 Å²	31	48 Å²	48	17%	0.166	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	109.9	-176.6	-51	-68.1	0	0	0	109.9	Q636 F637 P638 E639 N640 W642 S672 G682	Q636-N684 CarbonylContact C-O 3.56Å; Q636-N684 WeakPolarHBondContact CA-O 3.41Å; F637-N684 HydrophobicContact CB-CB 4.44Å; F637-N684 PolarHBondContact N-O 3.33Å; F637-N684 PolarHBondContact O-ND2 3.03Å; P638-N684 PolarHBondContact O-ND2 3.46Å; E639-N684 VanDerWaalsContact C-ND2 3.35Å; E639-N684 VanDerWaalsContact CA-ND2 3.35Å; E639-N684 WeakPolarHBondContact CA-ND2 3.11Å; E639-N684 PolarHBondContact N-ND2 2.82Å; N640-N684 HydrophobicContact CB-CB 4.41Å; N640-N684 PolarHBondContact N-ND2 2.98Å; W642-N684 HydrophobicContact CH2-CB 3.65Å; W642-N684 HydrophobicContact CZ2-CB 4.25Å; W642-N684 HydrophobicContact CZ3-CB 4.46Å; S672-N684 WeakPolarHBondContact OG-CA 3.41Å; G682-N684 PolarHBondContact O-N 2.78Å; G682-N684 VanDerWaalsContact O-N 3.17Å
685	V	95.7	Very high	76.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.3	-173.7	178.4	0	0	0	0	111.2	M401 T403 V405 A634 L635 Q636 F671 S672	M401-V685 HydrophobicContact CB-CG2 3.96Å; M401-V685 HydrophobicContact SD-CG1 4.29Å; M401-V685 HydrophobicContact SD-CG2 4.44Å; T403-V685 HydrophobicContact CG2-CB 3.99Å; T403-V685 HydrophobicContact CG2-CG2 3.49Å; T403-V685 VanDerWaalsContact CG2-CG2 3.49Å; V405-V685 HydrophobicContact CG2-CG1 3.99Å; A634-V685 HydrophobicContact CB-CG1 4.21Å; L635-V685 WeakPolarHBondContact O-CA 3.39Å; Q636-V685 HydrophobicContact CB-CG2 4.13Å; Q636-V685 HydrophobicContact CG-CG2 4.14Å; F671-V685 HydrophobicContact CB-CB 4.21Å; F671-V685 HydrophobicContact CB-CG1 4.24Å; F671-V685 PolarHBondContact N-O 2.78Å; S672-V685 PolarHBondContact OG-N 2.94Å; S672-V685 VanDerWaalsContact OG-N 3.09Å
686	L	97.1	Very high	77.7	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.5	165.4	-71.7	178.8	0	0	0	110.4	A634 L635 F637 F641 W642 F652 F668 Y669 L714	A634-L686 CarbonylContact C-O 3.58Å; A634-L686 VanDerWaalsContact CA-O 3.28Å; A634-L686 WeakPolarHBondContact CA-O 3.44Å; L635-L686 PolarHBondContact N-O 2.98Å; L635-L686 PolarHBondContact O-N 3.22Å; F637-L686 HydrophobicContact CE2-CB 4.38Å; F637-L686 HydrophobicContact CE2-CD1 4.3Å; F637-L686 HydrophobicContact CE2-CG 4.5Å; F641-L686 HydrophobicContact CZ-CD1 4.17Å; W642-L686 HydrophobicContact CD2-CD1 3.86Å; W642-L686 HydrophobicContact CD2-CD2 3.86Å; W642-L686 HydrophobicContact CD2-CG 3.93Å; W642-L686 HydrophobicContact CE3-CD1 3.61Å; W642-L686 HydrophobicContact CE3-CD2 4.33Å; W642-L686 HydrophobicContact CE3-CG 3.87Å; W642-L686 HydrophobicContact CG-CD1 4.46Å; W642-L686 HydrophobicContact CG-CD2 4.31Å; W642-L686 HydrophobicContact CH2-CD1 4.32Å; W642-L686 HydrophobicContact CH2-CD2 4.23Å; W642-L686 HydrophobicContact CH2-CG 3.7Å; W642-L686 HydrophobicContact CZ2-CD2 3.75Å; W642-L686 HydrophobicContact CZ2-CG 3.76Å; W642-L686 HydrophobicContact CZ3-CD1 3.87Å; W642-L686 HydrophobicContact CZ3-CG 3.78Å; F652-L686 HydrophobicContact CE1-CD1 4.24Å; F652-L686 HydrophobicContact CE1-CD2 3.85Å; F652-L686 HydrophobicContact CZ-CD1 3.98Å; F652-L686 HydrophobicContact CZ-CD2 4.36Å; F668-L686 HydrophobicContact CB-CD2 4.47Å; F668-L686 HydrophobicContact CD1-CB 4.37Å; F668-L686 HydrophobicContact CD1-CD1 4.46Å; Y669-L686 WeakPolarHBondContact O-CA 3.45Å; L686-L714 HydrophobicContact CD1-CD1 4.16Å; L686-L714 HydrophobicContact CD1-CD2 3.74Å
687	M	96.4	Very high	79.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.3	176.8	174.5	65.4	77.9	0	0	110.3	V405 K632 V633 A634 F668 Y669 F671 Y689 M730	V405-M687 HydrophobicContact CG1-CE 3.26Å; K632-M687 HydrophobicContact CB-SD 3.72Å; K632-M687 HydrophobicContact CD-CE 4.03Å; K632-M687 HydrophobicContact CD-CG 4.48Å; K632-M687 HydrophobicContact CD-SD 3.72Å; K632-M687 HydrophobicContact CG-SD 4.2Å; V633-M687 CarbonylContact O-C 3.52Å; V633-M687 WeakPolarHBondContact O-CA 3.19Å; A634-M687 HydrophobicContact CB-CE 3.63Å; A634-M687 HydrophobicContact CB-SD 4Å; F668-M687 CarbonylContact C-O 3.57Å; F668-M687 WeakPolarHBondContact CA-O 3.43Å; Y669-M687 PolarHBondContact N-O 2.92Å; Y669-M687 PolarHBondContact O-N 2.61Å; F671-M687 HydrophobicContact CD1-CB 4.28Å; F671-M687 HydrophobicContact CD2-CB 4.06Å; F671-M687 HydrophobicContact CE1-CB 4.08Å; F671-M687 HydrophobicContact CE1-CE 4.06Å; F671-M687 HydrophobicContact CE1-CG 4.11Å; F671-M687 HydrophobicContact CE2-CB 3.94Å; F671-M687 HydrophobicContact CE2-CG 4.31Å; F671-M687 HydrophobicContact CG-CB 4.25Å; F671-M687 HydrophobicContact CZ-CB 3.95Å; F671-M687 HydrophobicContact CZ-CG 3.91Å; M687-Y689 HydrophobicContact CG-CE2 4.14Å; M687-M730 HydrophobicContact CE-CE 3.67Å; M687-M730 HydrophobicContact SD-CE 4.43Å
688	C	95.8	Very high	81.6	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.3	170.2	-170.2	0	0	0	0	111.5	K632 V633 F665 V667 F668	K632-C688 WeakPolarHBondContact CA-O 3.49Å; V633-C688 HydrophobicContact CG1-CB 3.83Å; V633-C688 PolarHBondContact N-O 2.79Å; V633-C688 PolarHBondContact O-N 3.03Å; F665-C688 VanDerWaalsContact C-SG 3.55Å; F665-C688 WeakPolarHBondContact CA-SG 3.35Å; F665-C688 HydrophobicContact CD1-CB 4.25Å; V667-C688 PolarHBondContact O-SG 3.24Å; F668-C688 HydrophobicContact CD1-CB 4.12Å; F668-C688 HydrophobicContact CE1-CB 4.18Å
689	Y	92.7	Very high	83.7	Confident	20 Å²	20	31.7 Å²	31.7	8%	0.078	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.7	175	-62.4	-105.4	0	0	0	109.3	L411 Y516 L630 K632 Y669 M687	L411-Y689 HydrophobicContact CD1-CE2 4.42Å; L411-Y689 WeakPolarHBondContact CD1-OH 3.5Å; Y516-Y689 HydrophobicContact CD2-CG 4.31Å; Y516-Y689 AromaticContact CE2-CD1 3.56Å; Y516-Y689 HydrophobicContact CE2-CD1 3.56Å; Y516-Y689 HydrophobicContact CE2-CD2 4.32Å; Y516-Y689 HydrophobicContact CE2-CE1 4.32Å; Y516-Y689 AromaticContact CE2-CG 3.57Å; Y516-Y689 HydrophobicContact CE2-CG 3.57Å; L630-Y689 HydrophobicContact CD1-CD1 4.21Å; L630-Y689 HydrophobicContact CD2-CD1 3.72Å; L630-Y689 HydrophobicContact CD2-CG 4.5Å; K632-Y689 HydrophobicContact CD-CD1 4.23Å; K632-Y689 HydrophobicContact CD-CE1 3.98Å; K632-Y689 HydrophobicContact CG-CD1 4.13Å; K632-Y689 HydrophobicContact CG-CE1 4.38Å; K632-Y689 PolarHBondContact NZ-OH 2.85Å; Y669-Y689 AromaticContact CD2-CD2 3.66Å; Y669-Y689 HydrophobicContact CD2-CD2 3.66Å; Y669-Y689 AromaticContact CD2-CE2 3.46Å; Y669-Y689 HydrophobicContact CD2-CE2 3.46Å; Y669-Y689 VanDerWaalsContact CD2-CE2 3.46Å; Y669-Y689 AromaticContact CE2-CD2 3.38Å; Y669-Y689 HydrophobicContact CE2-CD2 3.38Å; Y669-Y689 AromaticContact CE2-CE2 3.41Å; Y669-Y689 HydrophobicContact CE2-CE2 3.41Å; Y669-Y689 VanDerWaalsContact CE2-CE2 3.41Å; Y669-Y689 HydrophobicContact CG-CE2 4.11Å; M687-Y689 HydrophobicContact CG-CE2 4.14Å
690	L	93.6	Very high	85.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.5	-176.5	-49.6	-178.8	0	0	0	108.7	L630 E631 V633 F665 V694 V695 V698 T706	L630-L690 WeakPolarHBondContact CA-O 3.42Å; L630-L690 WeakPolarHBondContact CG-O 3.45Å; E631-L690 HydrophobicContact CB-CB 4.4Å; E631-L690 HydrophobicContact CB-CD1 4.44Å; E631-L690 PolarHBondContact N-O 2.82Å; E631-L690 PolarHBondContact O-N 3.47Å; V633-L690 HydrophobicContact CG1-CD2 4.29Å; F665-L690 HydrophobicContact CD1-CD2 3.46Å; F665-L690 VanDerWaalsContact CD1-CD2 3.46Å; F665-L690 HydrophobicContact CE1-CD1 4.43Å; F665-L690 HydrophobicContact CE1-CD2 3.52Å; F665-L690 HydrophobicContact CG-CD2 4.47Å; L690-V694 HydrophobicContact CB-CG1 4.24Å; L690-V694 HydrophobicContact CD2-CG1 4.21Å; L690-V695 VanDerWaalsContact O-CG2 3.24Å; L690-V695 WeakPolarHBondContact O-CG2 3.31Å; L690-V698 HydrophobicContact CD1-CB 4.39Å; L690-V698 HydrophobicContact CD1-CG1 3.85Å; L690-V698 HydrophobicContact CD1-CG2 3.95Å; L690-T706 HydrophobicContact CD1-CG2 4.42Å
691	S	89.4	Confident	87.7	Confident	4 Å²	4	35 Å²	35	3%	0.028	19%	0.194	C	C	.	.			trans	-137.5	172.7	-175.6	67.2	0	0	0	0	111.4	Y516 V694	Y516-S691 WeakPolarHBondContact CA-OG 3.4Å; Y516-S691 PolarHBondContact N-OG 3.28Å; S691-V694 PolarHBondContact O-N 3.45Å
692	G	84.9	Confident	89.5	Confident	11 Å²	11	32 Å²	32	11%	0.113	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-140.8	-179.2	0	0	0	0	0	112.2	V694 V695	G692-V694 PolarHBondContact O-N 3.43Å; G692-V695 PolarHBondContact O-N 3.36Å
693	E	85.8	Confident	91	Very high	93 Å²	93	34.5 Å²	34.5	44%	0.435	19%	0.185	S	C	.	.	H	α-helix	trans	-59.8	-23.6	179.7	64.3	-173.1	169.3	0	0	114.2	P661 R662 V695 D696 L697	P661-E693 WeakPolarHBondContact CA-OE1 3.37Å; P661-E693 HydrophobicContact CB-CG 4.03Å; P661-E693 WeakPolarHBondContact CB-OE1 3.5Å; R662-E693 PolarHBondContact N-OE1 3.09Å; E693-V695 VanDerWaalsContact C-N 3.26Å; E693-V695 PolarHBondContact O-N 2.88Å; E693-D696 PolarHBondContact O-N 3.03Å; E693-L697 PolarHBondContact O-N 3.48Å
694	V	88.9	Confident	91.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.4	-28.6	-177.1	-177.4	0	0	0	0	111.8	P661 G663 L664 L690 S691 G692 D696 L697 V698	P661-V694 HydrophobicContact CB-CG2 4Å; G663-V694 VanDerWaalsContact C-CG2 3.43Å; L664-V694 HydrophobicContact CB-CG2 4.47Å; L664-V694 HydrophobicContact CD1-CG1 4.15Å; L690-V694 HydrophobicContact CB-CG1 4.24Å; L690-V694 HydrophobicContact CD2-CG1 4.21Å; S691-V694 PolarHBondContact O-N 3.45Å; G692-V694 PolarHBondContact O-N 3.43Å; V694-D696 VanDerWaalsContact C-N 3.29Å; V694-D696 PolarHBondContact O-N 3.47Å; V694-L697 WeakPolarHBondContact O-CB 3.35Å; V694-L697 PolarHBondContact O-N 3.15Å; V694-V698 HydrophobicContact CG1-CG1 4.39Å; V694-V698 WeakPolarHBondContact O-CG2 3.39Å; V694-V698 PolarHBondContact O-N 3.08Å
695	V	90.4	Very high	91.8	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-42.6	175.1	176.3	0	0	0	0	110.6	K629 E631 L690 G692 E693 L697 V698 K699	K629-V695 HydrophobicContact CB-CG1 4.08Å; E631-V695 HydrophobicContact CG-CG1 4.15Å; L690-V695 VanDerWaalsContact O-CG2 3.24Å; L690-V695 WeakPolarHBondContact O-CG2 3.31Å; G692-V695 PolarHBondContact O-N 3.36Å; E693-V695 VanDerWaalsContact C-N 3.26Å; E693-V695 PolarHBondContact O-N 2.88Å; V695-L697 VanDerWaalsContact C-N 3.33Å; V695-V698 WeakPolarHBondContact O-CG2 3.44Å; V695-V698 PolarHBondContact O-N 2.85Å; V695-K699 VanDerWaalsContact O-CB 3.28Å; V695-K699 WeakPolarHBondContact O-CB 3.4Å; V695-K699 PolarHBondContact O-N 3.32Å
696	D	87.4	Confident	91.8	Very high	87 Å²	87	39.5 Å²	39.5	47%	0.465	21%	0.214	S	C	.	.	H	α-helix	trans	-69.5	-33.8	179.3	-66.3	-40	0	0	0	111.4	E693 V694	E693-D696 PolarHBondContact O-N 3.03Å; V694-D696 VanDerWaalsContact C-N 3.29Å; V694-D696 PolarHBondContact O-N 3.47Å
697	L	85.3	Confident	91.8	Very high	58 Å²	58	39.5 Å²	39.5	30%	0.304	22%	0.215	S	C	.	.	H	α-helix	trans	-64.8	-44.3	175	-178.6	148	0	0	0	112.7	P661 E693 V694 V695 V700 K701	P661-L697 HydrophobicContact CG-CD1 4.39Å; E693-L697 PolarHBondContact O-N 3.48Å; V694-L697 WeakPolarHBondContact O-CB 3.35Å; V694-L697 PolarHBondContact O-N 3.15Å; V695-L697 VanDerWaalsContact C-N 3.33Å; L697-V700 WeakPolarHBondContact O-CG2 3.45Å; L697-K701 HydrophobicContact CD2-CD 4.06Å
698	V	86.7	Confident	91.8	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-79.3	-24.4	-179.4	-60.1	0	0	0	0	112.7	L690 V694 V695 V700 K701 T706	L690-V698 HydrophobicContact CD1-CB 4.39Å; L690-V698 HydrophobicContact CD1-CG1 3.85Å; L690-V698 HydrophobicContact CD1-CG2 3.95Å; V694-V698 HydrophobicContact CG1-CG1 4.39Å; V694-V698 WeakPolarHBondContact O-CG2 3.39Å; V694-V698 PolarHBondContact O-N 3.08Å; V695-V698 WeakPolarHBondContact O-CG2 3.44Å; V695-V698 PolarHBondContact O-N 2.85Å; V698-V700 PolarHBondContact O-N 2.79Å; V698-K701 PolarHBondContact O-N 2.91Å; V698-T706 HydrophobicContact CB-CG2 4.13Å; V698-T706 HydrophobicContact CG1-CG2 3.75Å
699	K	88.3	Confident	91.7	Very high	92 Å²	92	44 Å²	44	40%	0.4	25%	0.246	S	C	.	.	H	α-helix	trans	-57.8	-31.2	178.2	-176.4	179.6	177.2	-171	0	113.4	V695	V695-K699 VanDerWaalsContact O-CB 3.28Å; V695-K699 WeakPolarHBondContact O-CB 3.4Å; V695-K699 PolarHBondContact O-N 3.32Å
700	V	91.1	Very high	91.9	Very high	124 Å²	124	43.1 Å²	43.1	75%	0.752	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	6	179.4	-60.6	0	0	0	0	113.5	L697 V698	L697-V700 WeakPolarHBondContact O-CG2 3.45Å; V698-V700 PolarHBondContact O-N 2.79Å
701	K	92.6	Very high	92.1	Very high	68 Å²	68	43.8 Å²	43.8	30%	0.296	25%	0.246	S	C	.	.	S	Bend	trans	-111.1	153.4	-179.7	-67.4	-176.6	-179	-63.4	0	110.7	L697 V698 E705 I709	L697-K701 HydrophobicContact CD2-CD 4.06Å; V698-K701 PolarHBondContact O-N 2.91Å; K701-E705 HydrophobicContact CB-CB 4.14Å; K701-I709 HydrophobicContact CD-CD1 3.48Å; K701-I709 VanDerWaalsContact CD-CD1 3.48Å; K701-I709 VanDerWaalsContact CE-CD1 3.47Å
702	S	95.7	Very high	92.4	Very high	55 Å²	55	49.2 Å²	49.2	39%	0.385	27%	0.271	S	S	.	.			trans	-70.1	161.5	166.4	65	0	0	0	0	111.4	A704 E705 T706	S702-A704 PolarHBondContact O-N 2.99Å; S702-E705 WeakPolarHBondContact CB-OE2 3.44Å; S702-E705 PolarHBondContact N-OE2 3.39Å; S702-E705 PolarHBondContact O-N 3.04Å; S702-E705 VanDerWaalsContact OG-CG 3.25Å; S702-E705 WeakPolarHBondContact OG-CG 3.4Å; S702-E705 PolarHBondContact OG-N 3.23Å; S702-E705 PolarHBondContact OG-OE2 3.01Å; S702-T706 PolarHBondContact O-N 3.47Å; S702-T706 PolarHBondContact O-OG1 3.49Å
703	D	95.9	Very high	92.9	Very high	59 Å²	59	48.8 Å²	48.8	32%	0.316	27%	0.266	S	S	.	.	H	α-helix	trans	-58.9	-39	176	-66.2	4.1	0	0	0	111.7	T706 A707 Y729 V731 H733	D703-T706 PolarHBondContact O-N 3.22Å; D703-A707 VanDerWaalsContact O-CB 3.3Å; D703-A707 WeakPolarHBondContact O-CB 3.21Å; D703-A707 PolarHBondContact O-N 3.48Å; D703-Y729 HydrophobicContact CB-CD2 4.26Å; D703-Y729 HydrophobicContact CB-CE2 3.66Å; D703-V731 HydrophobicContact CB-CB 4.18Å; D703-V731 HydrophobicContact CB-CG2 3.97Å; D703-H733 IonicContact OD1-CD2 3.6Å; D703-H733 IonicContact OD1-CE1 3.26Å; D703-H733 IonicContact OD1-NE2 3.63Å; D703-H733 PolarHBondContact OD1-NE2 2.97Å
704	A	97	Very high	93.4	Very high	49 Å²	49	44.3 Å²	44.3	41%	0.405	25%	0.246	S	C	.	.	H	α-helix	trans	-64.5	-43.3	178.7	0	0	0	0	0	111.9	S702 A707 A708	S702-A704 PolarHBondContact O-N 2.99Å; A704-A707 PolarHBondContact O-N 2.87Å; A704-A708 WeakPolarHBondContact O-CB 3.08Å; A704-A708 PolarHBondContact O-N 2.97Å
705	E	96.8	Very high	93.8	Very high	99 Å²	99	49.7 Å²	49.7	46%	0.463	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-43.1	175.1	-71.8	166.5	122	0	0	111.4	K701 S702 A707 A708 I709	K701-E705 HydrophobicContact CB-CB 4.14Å; S702-E705 WeakPolarHBondContact CB-OE2 3.44Å; S702-E705 PolarHBondContact N-OE2 3.39Å; S702-E705 PolarHBondContact O-N 3.04Å; S702-E705 VanDerWaalsContact OG-CG 3.25Å; S702-E705 WeakPolarHBondContact OG-CG 3.4Å; S702-E705 PolarHBondContact OG-N 3.23Å; S702-E705 PolarHBondContact OG-OE2 3.01Å; E705-A707 PolarHBondContact O-N 3.36Å; E705-A708 PolarHBondContact O-N 3.15Å; E705-I709 VanDerWaalsContact O-CG1 3.27Å; E705-I709 WeakPolarHBondContact O-CG1 3.35Å; E705-I709 PolarHBondContact O-N 3.25Å
706	T	95.5	Very high	94	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-44.2	177.6	-61.2	0	0	0	0	111.4	L690 V698 S702 D703 A708 I709 C710 V731	L690-T706 HydrophobicContact CD1-CG2 4.42Å; V698-T706 HydrophobicContact CB-CG2 4.13Å; V698-T706 HydrophobicContact CG1-CG2 3.75Å; S702-T706 PolarHBondContact O-N 3.47Å; S702-T706 PolarHBondContact O-OG1 3.49Å; D703-T706 PolarHBondContact O-N 3.22Å; T706-A708 VanDerWaalsContact C-N 3.33Å; T706-A708 PolarHBondContact O-N 2.92Å; T706-I709 PolarHBondContact O-N 3.35Å; T706-C710 WeakPolarHBondContact O-CB 3.02Å; T706-C710 PolarHBondContact O-N 3.39Å; T706-C710 VanDerWaalsContact O-N 3.08Å; T706-V731 HydrophobicContact CG2-CG1 4.17Å; T706-V731 HydrophobicContact CG2-CG2 4.05Å
707	A	96.8	Very high	94.4	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-38.9	174.8	0	0	0	0	0	112	L635 D703 A704 E705 C710 L711 Y729	L635-A707 HydrophobicContact CD2-CB 3.86Å; D703-A707 VanDerWaalsContact O-CB 3.3Å; D703-A707 WeakPolarHBondContact O-CB 3.21Å; D703-A707 PolarHBondContact O-N 3.48Å; A704-A707 PolarHBondContact O-N 2.87Å; E705-A707 PolarHBondContact O-N 3.36Å; A707-C710 WeakPolarHBondContact O-CB 3.37Å; A707-C710 PolarHBondContact O-N 3.09Å; A707-L711 WeakPolarHBondContact O-CB 3.18Å; A707-L711 PolarHBondContact O-N 3.35Å; A707-Y729 HydrophobicContact CB-CD1 4.14Å; A707-Y729 HydrophobicContact CB-CD2 4.06Å; A707-Y729 HydrophobicContact CB-CG 3.75Å
708	A	96.7	Very high	94.9	Very high	55 Å²	55	46 Å²	46	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-43.6	177.3	0	0	0	0	0	112.6	A704 E705 T706 C710 L711 E712	A704-A708 WeakPolarHBondContact O-CB 3.08Å; A704-A708 PolarHBondContact O-N 2.97Å; E705-A708 PolarHBondContact O-N 3.15Å; T706-A708 VanDerWaalsContact C-N 3.33Å; T706-A708 PolarHBondContact O-N 2.92Å; A708-C710 VanDerWaalsContact C-N 3.31Å; A708-C710 PolarHBondContact O-N 2.71Å; A708-L711 PolarHBondContact O-N 2.73Å; A708-E712 PolarHBondContact O-N 3.09Å
709	I	95	Very high	95.3	Very high	40 Å²	40	49.8 Å²	49.8	21%	0.205	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-37.5	177	-56	163.8	0	0	0	110.4	F665 K701 E705 T706 E712 T713	F665-I709 HydrophobicContact CE2-CB 4.18Å; F665-I709 HydrophobicContact CE2-CG2 3.71Å; F665-I709 HydrophobicContact CZ-CB 4.32Å; F665-I709 HydrophobicContact CZ-CG2 4.26Å; K701-I709 HydrophobicContact CD-CD1 3.48Å; K701-I709 VanDerWaalsContact CD-CD1 3.48Å; K701-I709 VanDerWaalsContact CE-CD1 3.47Å; E705-I709 VanDerWaalsContact O-CG1 3.27Å; E705-I709 WeakPolarHBondContact O-CG1 3.35Å; E705-I709 PolarHBondContact O-N 3.25Å; T706-I709 PolarHBondContact O-N 3.35Å; I709-E712 PolarHBondContact O-N 2.82Å; I709-T713 PolarHBondContact O-N 2.81Å; I709-T713 PolarHBondContact O-OG1 2.72Å
710	C	96.5	Very high	95.6	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-45.9	173.9	-173	0	0	0	0	111.4	V633 L635 F665 T706 A707 A708 T713 L714	V633-C710 HydrophobicContact CG1-CB 4.27Å; V633-C710 HydrophobicContact CG2-CB 4.2Å; L635-C710 HydrophobicContact CD1-CB 4.07Å; F665-C710 HydrophobicContact CD1-CB 4.04Å; F665-C710 HydrophobicContact CE1-CB 3.6Å; F665-C710 HydrophobicContact CE2-CB 4.15Å; F665-C710 HydrophobicContact CZ-CB 3.66Å; T706-C710 WeakPolarHBondContact O-CB 3.02Å; T706-C710 PolarHBondContact O-N 3.39Å; T706-C710 VanDerWaalsContact O-N 3.08Å; A707-C710 WeakPolarHBondContact O-CB 3.37Å; A707-C710 PolarHBondContact O-N 3.09Å; A708-C710 VanDerWaalsContact C-N 3.31Å; A708-C710 PolarHBondContact O-N 2.71Å; C710-T713 WeakPolarHBondContact O-CB 3.14Å; C710-T713 PolarHBondContact O-N 2.76Å; C710-L714 PolarHBondContact O-N 3.24Å
711	L	97.3	Very high	95.7	Very high	13 Å²	13	47.6 Å²	47.6	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-41.4	176.6	-179.3	62.6	0	0	0	112.5	L635 F637 A707 A708 T713 L714 R715 V723 P726	L635-L711 HydrophobicContact CD1-CB 4.4Å; F637-L711 HydrophobicContact CE1-CD1 3.97Å; F637-L711 HydrophobicContact CZ-CD1 4.32Å; A707-L711 WeakPolarHBondContact O-CB 3.18Å; A707-L711 PolarHBondContact O-N 3.35Å; A708-L711 PolarHBondContact O-N 2.73Å; L711-T713 VanDerWaalsContact C-N 3.28Å; L711-T713 PolarHBondContact O-N 2.95Å; L711-L714 PolarHBondContact O-N 3.09Å; L711-R715 WeakPolarHBondContact O-CG 3.48Å; L711-R715 PolarHBondContact O-N 2.86Å; L711-V723 HydrophobicContact CD1-CG1 3.96Å; L711-P726 HydrophobicContact CD2-CG 4.38Å
712	E	95.6	Very high	95.7	Very high	119 Å²	119	53.4 Å²	53.4	56%	0.556	27%	0.274	S	S	*	.	H	α-helix	trans	-61.2	-39.3	174.8	-175	179.3	-177.8	0	0	111.4	A708 I709 R715 R716	A708-E712 PolarHBondContact O-N 3.09Å; I709-E712 PolarHBondContact O-N 2.82Å; E712-R715 PolarHBondContact O-N 2.93Å; E712-R716 WeakPolarHBondContact O-CG 3.46Å; E712-R716 PolarHBondContact O-N 3.38Å
713	T	95.5	Very high	95.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-46	173.8	-59.1	0	0	0	0	111.2	N654 F665 F668 I709 C710 L711 R715 R716 L717	N654-T713 WeakPolarHBondContact ND2-CG2 3.29Å; F665-T713 HydrophobicContact CB-CG2 4.27Å; F665-T713 HydrophobicContact CD2-CG2 4.2Å; F665-T713 WeakPolarHBondContact CD2-OG1 3.41Å; F668-T713 HydrophobicContact CE2-CG2 4.44Å; F668-T713 HydrophobicContact CZ-CG2 4.34Å; I709-T713 PolarHBondContact O-N 2.81Å; I709-T713 PolarHBondContact O-OG1 2.72Å; C710-T713 WeakPolarHBondContact O-CB 3.14Å; C710-T713 PolarHBondContact O-N 2.76Å; L711-T713 VanDerWaalsContact C-N 3.28Å; L711-T713 PolarHBondContact O-N 2.95Å; T713-R715 VanDerWaalsContact C-N 3.34Å; T713-R715 PolarHBondContact O-N 2.53Å; T713-R716 PolarHBondContact O-N 2.71Å; T713-R716 PolarHBondContact OG1-NH2 3.04Å; T713-L717 HydrophobicContact CG2-CD1 4.45Å; T713-L717 WeakPolarHBondContact O-CG 3.24Å; T713-L717 PolarHBondContact O-N 2.81Å
714	L	97.1	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-40.4	174.3	-72.7	166.1	0	0	0	112.4	L635 F637 F641 F652 F668 L686 C710 L711 R716 L717 F718	L635-L714 HydrophobicContact CD1-CD1 3.85Å; F637-L714 HydrophobicContact CE2-CD1 4.17Å; F637-L714 HydrophobicContact CZ-CD1 3.74Å; F641-L714 HydrophobicContact CZ-CB 4.45Å; F641-L714 HydrophobicContact CZ-CD1 4.42Å; F641-L714 HydrophobicContact CZ-CD2 4.35Å; F652-L714 HydrophobicContact CE2-CD2 4.4Å; F652-L714 HydrophobicContact CZ-CD2 4.09Å; F668-L714 HydrophobicContact CD1-CD2 3.88Å; F668-L714 HydrophobicContact CD1-CG 4.42Å; F668-L714 HydrophobicContact CD2-CD2 4.38Å; F668-L714 HydrophobicContact CE1-CD1 3.99Å; F668-L714 HydrophobicContact CE1-CD2 3.63Å; F668-L714 HydrophobicContact CE1-CG 3.73Å; F668-L714 HydrophobicContact CE2-CD2 4.17Å; F668-L714 HydrophobicContact CG-CD2 4.24Å; F668-L714 HydrophobicContact CZ-CD2 3.78Å; F668-L714 HydrophobicContact CZ-CG 3.86Å; L686-L714 HydrophobicContact CD1-CD1 4.16Å; L686-L714 HydrophobicContact CD1-CD2 3.74Å; C710-L714 PolarHBondContact O-N 3.24Å; L711-L714 PolarHBondContact O-N 3.09Å; L714-R716 VanDerWaalsContact C-N 3.29Å; L714-R716 PolarHBondContact O-N 3.14Å; L714-L717 PolarHBondContact O-N 2.84Å; L714-L717 VanDerWaalsContact O-N 3.12Å; L714-F718 HydrophobicContact CD2-CE2 4.2Å; L714-F718 WeakPolarHBondContact O-CD2 3.34Å; L714-F718 PolarHBondContact O-N 3.4Å; L714-F718 VanDerWaalsContact O-N 3.11Å
715	R	96.7	Very high	95.7	Very high	112 Å²	112	51.8 Å²	51.8	42%	0.423	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-38	175.2	-75.9	171.3	175.9	160.8	2.1	112.5	L711 E712 T713 F718 V723 D725	L711-R715 WeakPolarHBondContact O-CG 3.48Å; L711-R715 PolarHBondContact O-N 2.86Å; E712-R715 PolarHBondContact O-N 2.93Å; T713-R715 VanDerWaalsContact C-N 3.34Å; T713-R715 PolarHBondContact O-N 2.53Å; R715-F718 CarbonylContact O-C 3.54Å; R715-V723 HydrophobicContact CG-CB 3.92Å; R715-V723 HydrophobicContact CG-CG1 4.46Å; R715-V723 HydrophobicContact CG-CG2 4.33Å; R715-D725 IonicContact CZ-OD1 2.7Å; R715-D725 IonicContact NH2-OD1 3.49Å; R715-D725 PolarHBondContact NH2-OD1 2.95Å
716	R	94.5	Very high	95.7	Very high	70 Å²	70	48.8 Å²	48.8	26%	0.264	24%	0.244	S	C	.	.	H	α-helix	trans	-69	-32.9	174.3	-70.6	-174	-65.2	133.2	-2.6	113.1	D444 G445 E712 T713 L714 P719	D444-R716 CarbonylContact C-O 3.55Å; G445-R716 WeakPolarHBondContact CA-O 3.45Å; G445-R716 PolarHBondContact N-O 3.39Å; E712-R716 WeakPolarHBondContact O-CG 3.46Å; E712-R716 PolarHBondContact O-N 3.38Å; T713-R716 PolarHBondContact O-N 2.71Å; T713-R716 PolarHBondContact OG1-NH2 3.04Å; L714-R716 VanDerWaalsContact C-N 3.29Å; L714-R716 PolarHBondContact O-N 3.14Å; R716-P719 WeakPolarHBondContact O-CD 3.09Å
717	L	96	Very high	95.7	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-75.9	-22.2	178.8	-68	-179.9	0	0	0	113.8	F441 C442 G445 K645 F652 N654 F668 T713 L714 P719	F441-L717 HydrophobicContact CB-CD2 3.78Å; C442-L717 WeakPolarHBondContact O-CD2 3.23Å; G445-L717 WeakPolarHBondContact CA-O 3.43Å; K645-L717 PolarHBondContact NZ-O 3.48Å; F652-L717 HydrophobicContact CE2-CD1 4.1Å; N654-L717 HydrophobicContact CB-CD1 3.93Å; N654-L717 HydrophobicContact CB-CD2 4.45Å; F668-L717 HydrophobicContact CD2-CD1 4.26Å; F668-L717 HydrophobicContact CE2-CD1 3.82Å; T713-L717 HydrophobicContact CG2-CD1 4.45Å; T713-L717 WeakPolarHBondContact O-CG 3.24Å; T713-L717 PolarHBondContact O-N 2.81Å; L714-L717 PolarHBondContact O-N 2.84Å; L714-L717 VanDerWaalsContact O-N 3.12Å; L717-P719 WeakPolarHBondContact O-CD 3.5Å
718	F	96.5	Very high	95.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.282	C	S	.	.			trans	-126	55.9	-178	-62.7	-95.2	0	0	0	111.7	F641 W642 K645 T646 F652 L714 R715 E720 Q721 V723	F641-F718 HydrophobicContact CD2-CD1 4.25Å; F641-F718 HydrophobicContact CD2-CD2 4.38Å; F641-F718 HydrophobicContact CD2-CG 4.18Å; F641-F718 HydrophobicContact CE2-CD1 4.32Å; F641-F718 AromaticContact CE2-CD2 3.68Å; F641-F718 HydrophobicContact CE2-CD2 3.68Å; F641-F718 HydrophobicContact CE2-CE1 4.47Å; F641-F718 AromaticContact CE2-CE2 3.88Å; F641-F718 HydrophobicContact CE2-CE2 3.88Å; F641-F718 AromaticContact CE2-CG 3.93Å; F641-F718 HydrophobicContact CE2-CG 3.93Å; F641-F718 HydrophobicContact CE2-CZ 4.28Å; W642-F718 HydrophobicContact CB-CE1 3.7Å; W642-F718 HydrophobicContact CB-CE2 4.42Å; W642-F718 HydrophobicContact CB-CZ 3.51Å; K645-F718 HydrophobicContact CB-CD1 4.24Å; K645-F718 HydrophobicContact CB-CE1 3.83Å; K645-F718 HydrophobicContact CD-CD1 3.66Å; K645-F718 HydrophobicContact CD-CE1 3.67Å; K645-F718 HydrophobicContact CG-CE1 4.35Å; T646-F718 HydrophobicContact CG2-CZ 4.33Å; F652-F718 AromaticContact CE2-CE2 3.96Å; F652-F718 HydrophobicContact CE2-CE2 3.96Å; F652-F718 HydrophobicContact CE2-CZ 4.11Å; F652-F718 AromaticContact CZ-CE2 3.94Å; F652-F718 HydrophobicContact CZ-CE2 3.94Å; F652-F718 AromaticContact CZ-CZ 3.95Å; F652-F718 HydrophobicContact CZ-CZ 3.95Å; L714-F718 HydrophobicContact CD2-CE2 4.2Å; L714-F718 WeakPolarHBondContact O-CD2 3.34Å; L714-F718 PolarHBondContact O-N 3.4Å; L714-F718 VanDerWaalsContact O-N 3.11Å; R715-F718 CarbonylContact O-C 3.54Å; F718-E720 PolarHBondContact O-N 3.07Å; F718-Q721 HydrophobicContact CB-CG 4.04Å; F718-Q721 PolarHBondContact O-N 3.47Å; F718-V723 HydrophobicContact CB-CG2 3.83Å
719	P	95.1	Very high	95.7	Very high	82 Å²	82	58.2 Å²	58.2	53%	0.532	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.1	-174.8	30.7	-38.9	0	0	0	113.5	R716 L717 Q721	R716-P719 WeakPolarHBondContact O-CD 3.09Å; L717-P719 WeakPolarHBondContact O-CD 3.5Å; P719-Q721 PolarHBondContact O-N 2.82Å
720	E	93.4	Very high	95.7	Very high	107 Å²	107	56.8 Å²	56.8	50%	0.5	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.2	-179	70	-85.2	-160.9	0	0	114.1	K645 F718	K645-E720 WeakPolarHBondContact CD-OE1 3.4Å; K645-E720 VanDerWaalsContact CE-OE1 3.23Å; K645-E720 WeakPolarHBondContact CE-OE1 3.35Å; K645-E720 VanDerWaalsContact NZ-CD 3.31Å; K645-E720 IonicContact NZ-OE1 3.73Å; K645-E720 PolarHBondContact NZ-OE1 3.19Å; K645-E720 IonicContact NZ-OE2 2.66Å; K645-E720 PolarHBondContact NZ-OE2 3.04Å; F718-E720 PolarHBondContact O-N 3.07Å
721	Q	92.8	Very high	95.6	Very high	64 Å²	64	57 Å²	57	30%	0.299	27%	0.274	S	S	.	.	S	Bend	trans	-148.1	158.5	-175.7	57.4	-179.6	61	0	0	111.9	F641 F718 P719 V723	F641-Q721 PolarHBondContact O-NE2 3.44Å; F718-Q721 HydrophobicContact CB-CG 4.04Å; F718-Q721 PolarHBondContact O-N 3.47Å; P719-Q721 PolarHBondContact O-N 2.82Å; Q721-V723 PolarHBondContact O-N 2.92Å
722	K	93.9	Very high	95.6	Very high	189 Å²	189	56.6 Å²	56.6	82%	0.822	27%	0.271	S	S	*	.			trans	-78.8	109.3	175.5	-174.4	179.2	178.6	-177.4	0	109.7	P724	K722-P724 WeakPolarHBondContact O-CD 3.34Å
723	V	96.6	Very high	95.5	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.042	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-71.1	120	169.5	179.1	0	0	0	0	109.2	F637 F641 L711 R715 F718 Q721	F637-V723 HydrophobicContact CE1-CG1 4.26Å; F641-V723 HydrophobicContact CD1-CG1 4.25Å; F641-V723 HydrophobicContact CD2-CG1 4.46Å; F641-V723 HydrophobicContact CD2-CG2 4.07Å; F641-V723 HydrophobicContact CE1-CG1 3.72Å; F641-V723 HydrophobicContact CE2-CB 4.49Å; F641-V723 HydrophobicContact CE2-CG1 3.97Å; F641-V723 HydrophobicContact CE2-CG2 3.83Å; F641-V723 HydrophobicContact CZ-CG1 3.57Å; F641-V723 HydrophobicContact CZ-CG2 4.3Å; L711-V723 HydrophobicContact CD1-CG1 3.96Å; R715-V723 HydrophobicContact CG-CB 3.92Å; R715-V723 HydrophobicContact CG-CG1 4.46Å; R715-V723 HydrophobicContact CG-CG2 4.33Å; F718-V723 HydrophobicContact CB-CG2 3.83Å; Q721-V723 PolarHBondContact O-N 2.92Å
724	P	95.9	Very high	95.5	Very high	17 Å²	17	55 Å²	55	11%	0.11	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-66.2	157.1	180	26.8	-33.5	0	0	0	111.7	F637 P638 E639 F641 K722	F637-P724 HydrophobicContact CB-CG 4.49Å; F637-P724 HydrophobicContact CD1-CG 4.03Å; F637-P724 WeakPolarHBondContact CE1-O 3.48Å; P638-P724 HydrophobicContact CG-CB 3.7Å; P638-P724 HydrophobicContact CG-CG 3.96Å; E639-P724 HydrophobicContact CG-CG 4.08Å; F641-P724 HydrophobicContact CD1-CG 4.11Å; K722-P724 WeakPolarHBondContact O-CD 3.34Å
725	D	96.6	Very high	95.2	Very high	105 Å²	105	56 Å²	56	56%	0.561	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-66.8	143.6	169.5	-67	-47.8	0	0	0	110.2	R715	R715-D725 IonicContact CZ-OD1 2.7Å; R715-D725 IonicContact NH2-OD1 3.49Å; R715-D725 PolarHBondContact NH2-OD1 2.95Å
726	P	96.3	Very high	95	Very high	36 Å²	36	55.3 Å²	55.3	23%	0.234	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-69.4	139.8	179.3	28.5	-34	0	0	0	111.1	L635 Q636 F637 L711	L635-P726 HydrophobicContact CB-CB 4.25Å; L635-P726 HydrophobicContact CD2-CB 4.39Å; L635-P726 HydrophobicContact CD2-CG 4.43Å; Q636-P726 CarbonylContact O-C 3.59Å; Q636-P726 WeakPolarHBondContact O-CA 3.39Å; Q636-P726 WeakPolarHBondContact O-CB 3.49Å; F637-P726 HydrophobicContact CD1-CB 4.48Å; F637-P726 HydrophobicContact CE1-CB 4.18Å; L711-P726 HydrophobicContact CD2-CG 4.38Å
727	L	95.5	Very high	95	Very high	90 Å²	90	53.2 Å²	53.2	47%	0.471	27%	0.265	S	S	.	.	S	Bend	trans	-71.1	-37.4	174.5	-59.9	177.7	0	0	0	111.7	Q636 P638	Q636-L727 HydrophobicContact CG-CB 4.36Å; Q636-L727 PolarHBondContact O-N 3.18Å; P638-L727 HydrophobicContact CB-CD1 4.32Å; P638-L727 HydrophobicContact CB-CD2 4.47Å
728	N	95.9	Very high	94.9	Very high	68 Å²	68	57.6 Å²	57.6	36%	0.364	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	162.3	177.2	-69.6	-77.7	0	0	0	110	M401 Q636	M401-N728 HydrophobicContact CE-CB 4.31Å; M401-N728 HydrophobicContact CG-CB 4.24Å; Q636-N728 HydrophobicContact CB-CB 4.29Å; Q636-N728 PolarHBondContact N-O 2.92Å; Q636-N728 PolarHBondContact OE1-ND2 3.02Å
729	Y	96.4	Very high	94.9	Very high	99 Å²	99	59.1 Å²	59.1	39%	0.388	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	160.6	173.2	60.4	-96.3	0	0	0	111.9	A634 D703 A707	A634-Y729 CarbonylContact O-C 3.57Å; A634-Y729 WeakPolarHBondContact O-CA 3.42Å; D703-Y729 HydrophobicContact CB-CD2 4.26Å; D703-Y729 HydrophobicContact CB-CE2 3.66Å; A707-Y729 HydrophobicContact CB-CD1 4.14Å; A707-Y729 HydrophobicContact CB-CD2 4.06Å; A707-Y729 HydrophobicContact CB-CG 3.75Å
730	M	95.5	Very high	94.9	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	131.7	174.9	177.6	-77.2	-61.4	0	0	108.5	T398 M401 V405 K407 K632 V633 A634 M687	T398-M730 HydrophobicContact CG2-CG 4.46Å; M401-M730 HydrophobicContact CE-CB 3.58Å; M401-M730 VanDerWaalsContact CE-N 3.25Å; V405-M730 HydrophobicContact CG1-CE 3.76Å; K407-M730 HydrophobicContact CB-SD 4.4Å; K407-M730 HydrophobicContact CD-SD 4.34Å; K407-M730 HydrophobicContact CG-CE 4.26Å; K407-M730 HydrophobicContact CG-CG 4.28Å; K407-M730 HydrophobicContact CG-SD 3.77Å; K632-M730 HydrophobicContact CB-CE 4.43Å; V633-M730 CarbonylContact C-O 3.59Å; V633-M730 VanDerWaalsContact CA-O 3.28Å; V633-M730 WeakPolarHBondContact CA-O 3.26Å; A634-M730 HydrophobicContact CB-CB 4.36Å; A634-M730 HydrophobicContact CB-CE 3.96Å; A634-M730 PolarHBondContact N-O 3.04Å; A634-M730 PolarHBondContact O-N 3.4Å; M687-M730 HydrophobicContact CE-CE 3.67Å; M687-M730 HydrophobicContact SD-CE 4.43Å
731	V	95.7	Very high	95	Very high	8 Å²	8	51.1 Å²	51.1	5%	0.048	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.5	171.5	-176.1	0	0	0	0	108.5	K632 V633 D703 T706	K632-V731 CarbonylContact O-C 3.54Å; K632-V731 VanDerWaalsContact O-CA 3.26Å; K632-V731 WeakPolarHBondContact O-CA 3.22Å; V633-V731 HydrophobicContact CG2-CG2 4.17Å; D703-V731 HydrophobicContact CB-CB 4.18Å; D703-V731 HydrophobicContact CB-CG2 3.97Å; T706-V731 HydrophobicContact CG2-CG1 4.17Å; T706-V731 HydrophobicContact CG2-CG2 4.05Å
732	S	95.3	Very high	95.1	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.021	25%	0.248	C	C	.	.			trans	-89.7	154.2	173.7	74.8	0	0	0	0	111.8	E631 K632	E631-S732 VanDerWaalsContact CA-OG 3.22Å; E631-S732 WeakPolarHBondContact CA-OG 3.48Å; E631-S732 VanDerWaalsContact CD-O 3.29Å; E631-S732 WeakPolarHBondContact OE2-CB 3.22Å; E631-S732 PolarHBondContact OE2-OG 3.38Å; K632-S732 PolarHBondContact N-OG 3.45Å; K632-S732 PolarHBondContact O-N 2.89Å
733	H	94.7	Very high	95.1	Very high	60 Å²	60	39.8 Å²	39.8	28%	0.278	21%	0.214	S	C	.	.			trans	-136	47.4	178.5	-65.1	-76.1	0	0	0	111.7	E631 D703 S735 Q736 D737	E631-H733 WeakPolarHBondContact OE2-CA 3.44Å; E631-H733 PolarHBondContact OE2-N 3.1Å; E631-H733 VanDerWaalsContact OE2-N 3.15Å; D703-H733 IonicContact OD1-CD2 3.6Å; D703-H733 IonicContact OD1-CE1 3.26Å; D703-H733 IonicContact OD1-NE2 3.63Å; D703-H733 PolarHBondContact OD1-NE2 2.97Å; H733-S735 VanDerWaalsContact C-N 3.26Å; H733-S735 PolarHBondContact O-N 3.37Å; H733-Q736 HydrophobicContact CB-CB 4.42Å; H733-Q736 PolarHBondContact ND1-NE2 3.29Å; H733-Q736 VanDerWaalsContact ND1-NE2 3.12Å; H733-Q736 PolarHBondContact O-N 3.32Å; H733-Q736 VanDerWaalsContact O-N 3.09Å; H733-D737 PolarHBondContact O-N 2.89Å
734	W	94.6	Very high	95	Very high	27 Å²	27	41.2 Å²	41.2	10%	0.102	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-60.5	-35.1	-176.7	-67.4	113.3	0	0	0	113.3	G393 C396 K407 E631 Q736 D737 I740 G741	G393-W734 WeakPolarHBondContact O-CH2 3.39Å; C396-W734 HydrophobicContact CB-CH2 3.8Å; C396-W734 HydrophobicContact CB-CZ2 4.22Å; K407-W734 HydrophobicContact CB-CZ2 3.87Å; K407-W734 PolarHBondContact O-NE1 3.26Å; E631-W734 VanDerWaalsContact CD-N 3.3Å; E631-W734 PolarHBondContact OE1-N 2.86Å; E631-W734 PolarHBondContact OE2-N 2.84Å; W734-Q736 PolarHBondContact O-N 3.08Å; W734-D737 PolarHBondContact O-N 3.08Å; W734-I740 HydrophobicContact CE3-CD1 3.72Å; W734-I740 HydrophobicContact CE3-CG2 4.11Å; W734-I740 HydrophobicContact CZ3-CD1 3.36Å; W734-G741 PolarHBondContact O-N 2.86Å
735	S	91.5	Very high	95	Very high	21 Å²	21	41.1 Å²	41.1	15%	0.147	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-67.1	-15.8	178	60.3	0	0	0	0	113.7	E631 H733	E631-S735 WeakPolarHBondContact OE1-CB 3.28Å; E631-S735 PolarHBondContact OE1-N 3.18Å; E631-S735 PolarHBondContact OE1-OG 3.04Å; H733-S735 VanDerWaalsContact C-N 3.26Å; H733-S735 PolarHBondContact O-N 3.37Å
736	Q	92.5	Very high	95	Very high	98 Å²	98	37.1 Å²	37.1	46%	0.458	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-105.4	-9.7	-179.6	-54	-169.9	68.4	0	0	113	H733 W734 P738	H733-Q736 HydrophobicContact CB-CB 4.42Å; H733-Q736 PolarHBondContact ND1-NE2 3.29Å; H733-Q736 VanDerWaalsContact ND1-NE2 3.12Å; H733-Q736 PolarHBondContact O-N 3.32Å; H733-Q736 VanDerWaalsContact O-N 3.09Å; W734-Q736 PolarHBondContact O-N 3.08Å; Q736-P738 WeakPolarHBondContact O-CD 3.44Å
737	D	94.8	Very high	94.9	Very high	26 Å²	26	35.7 Å²	35.7	14%	0.139	19%	0.186	C	C	.	.			trans	-72.8	116.2	177.6	-173.5	-33.7	0	0	0	109.9	K388 H733 W734 D739 I740 G741	K388-D737 IonicContact NZ-OD1 3.35Å; K388-D737 IonicContact NZ-OD2 3.24Å; K388-D737 PolarHBondContact NZ-OD2 3.46Å; H733-D737 PolarHBondContact O-N 2.89Å; W734-D737 PolarHBondContact O-N 3.08Å; D737-D739 PolarHBondContact O-N 3.25Å; D737-D739 WeakPolarHBondContact OD1-CB 3.34Å; D737-D739 PolarHBondContact OD1-N 2.94Å; D737-I740 HydrophobicContact CB-CB 4.13Å; D737-I740 CarbonylContact O-C 3.04Å; D737-I740 PolarHBondContact O-N 2.86Å; D737-I740 VanDerWaalsContact O-N 3.09Å; D737-G741 WeakPolarHBondContact O-CA 3.48Å; D737-G741 PolarHBondContact O-N 3.27Å
738	P	94.3	Very high	95	Very high	92 Å²	92	34.4 Å²	34.4	60%	0.597	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.9	-175.9	28.5	-36.3	0	0	0	113.9	Q736	Q736-P738 WeakPolarHBondContact O-CD 3.44Å
739	D	95.1	Very high	95	Very high	32 Å²	32	34 Å²	34	17%	0.171	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-6.4	177.6	-66.1	-63.6	0	0	0	112.6	S387 K388 R568 V602 D737	S387-D739 WeakPolarHBondContact CB-OD1 3.3Å; S387-D739 PolarHBondContact OG-OD1 3.31Å; K388-D739 HydrophobicContact CD-CB 4.33Å; K388-D739 HydrophobicContact CG-CB 3.97Å; R568-D739 IonicContact CZ-OD1 2.67Å; R568-D739 IonicContact NE-OD1 2.66Å; R568-D739 PolarHBondContact NE-OD1 2.88Å; R568-D739 IonicContact NH2-OD1 3.52Å; R568-D739 PolarHBondContact NH2-OD1 2.99Å; R568-D739 IonicContact NH2-OD2 3.27Å; R568-D739 PolarHBondContact NH2-OD2 3.01Å; V602-D739 VanDerWaalsContact CG2-O 3.3Å; V602-D739 WeakPolarHBondContact CG2-O 3.3Å; D737-D739 PolarHBondContact O-N 3.25Å; D737-D739 WeakPolarHBondContact OD1-CB 3.34Å; D737-D739 PolarHBondContact OD1-N 2.94Å
740	I	96.1	Very high	94.9	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-58.7	-176	-63.4	175.4	0	0	0	112.6	K388 R394 P599 A601 W734 D737 M742	K388-I740 HydrophobicContact CD-CD1 4.36Å; R394-I740 HydrophobicContact CG-CD1 4.34Å; R394-I740 HydrophobicContact CG-CG2 3.65Å; P599-I740 HydrophobicContact CG-CG1 4.47Å; P599-I740 HydrophobicContact CG-CG2 4.5Å; A601-I740 WeakPolarHBondContact CB-O 3.43Å; W734-I740 HydrophobicContact CE3-CD1 3.72Å; W734-I740 HydrophobicContact CE3-CG2 4.11Å; W734-I740 HydrophobicContact CZ3-CD1 3.36Å; D737-I740 HydrophobicContact CB-CB 4.13Å; D737-I740 CarbonylContact O-C 3.04Å; D737-I740 PolarHBondContact O-N 2.86Å; D737-I740 VanDerWaalsContact O-N 3.09Å; I740-M742 WeakPolarHBondContact CG2-O 3.22Å; I740-M742 WeakPolarHBondContact O-CG 3.43Å; I740-M742 PolarHBondContact O-N 2.92Å
741	G	94.9	Very high	94.9	Very high	17 Å²	17	32.3 Å²	32.3	18%	0.175	19%	0.191	C	C	.	.			trans	65.6	4.4	171.9	0	0	0	0	0	116.8	W734 D737	W734-G741 PolarHBondContact O-N 2.86Å; D737-G741 WeakPolarHBondContact O-CA 3.48Å; D737-G741 PolarHBondContact O-N 3.27Å
742	M	95.6	Very high	94.7	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	20%	0.202	C	C	.	.			trans	-160.9	163.3	-173.5	69.5	-174.7	-64.2	0	0	112.5	P599 L600 A601 C627 I740 Y744	P599-M742 HydrophobicContact CB-CG 4.25Å; P599-M742 HydrophobicContact CB-SD 3.97Å; L600-M742 HydrophobicContact CB-CE 4Å; L600-M742 HydrophobicContact CB-SD 3.67Å; L600-M742 PolarHBondContact N-SD 2.84Å; A601-M742 HydrophobicContact CB-CB 4.27Å; A601-M742 HydrophobicContact CB-CG 4.31Å; A601-M742 HydrophobicContact CB-SD 4.16Å; C627-M742 HydrophobicContact CB-CB 4.07Å; C627-M742 HydrophobicContact CB-CE 4.34Å; I740-M742 WeakPolarHBondContact CG2-O 3.22Å; I740-M742 WeakPolarHBondContact O-CG 3.43Å; I740-M742 PolarHBondContact O-N 2.92Å; M742-Y744 WeakPolarHBondContact CE-O 3.33Å
743	A	94.6	Very high	94.6	Very high	13 Å²	13	34.2 Å²	34.2	11%	0.107	20%	0.201	C	C	.	.	S	Bend	trans	-90	-63.7	165	0	0	0	0	0	110.6	R394 G628 L630	R394-A743 WeakPolarHBondContact CD-O 3.32Å; R394-A743 PolarHBondContact NH1-O 3.27Å; G628-A743 PolarHBondContact O-N 2.86Å; L630-A743 HydrophobicContact CB-CB 3.68Å
744	Y	93.9	Very high	94.5	Very high	36 Å²	36	36.3 Å²	36.3	14%	0.141	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	165.7	179.8	42.1	-95.1	0	0	0	111.5	Y516 G519 G628 L630 M742 Q774	Y516-Y744 PolarHBondContact O-OH 3.25Å; G519-Y744 VanDerWaalsContact CA-CE2 3.5Å; G628-Y744 WeakPolarHBondContact CA-O 3.49Å; G628-Y744 PolarHBondContact N-O 2.67Å; L630-Y744 HydrophobicContact CB-CE1 4.44Å; L630-Y744 HydrophobicContact CD1-CE1 4.19Å; L630-Y744 WeakPolarHBondContact CD1-OH 3.35Å; M742-Y744 WeakPolarHBondContact CE-O 3.33Å; Y744-Q774 HydrophobicContact CD2-CB 3.94Å; Y744-Q774 HydrophobicContact CD2-CG 3.73Å; Y744-Q774 HydrophobicContact CG-CB 3.95Å; Y744-Q774 HydrophobicContact CG-CG 4.17Å
745	S	96.1	Very high	94.5	Very high	16 Å²	16	35.9 Å²	35.9	11%	0.112	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	158.4	-174.3	51	0	0	0	0	113.2	G626 Y756 Q774	G626-S745 CarbonylContact O-C 3.57Å; G626-S745 WeakPolarHBondContact O-CA 3.48Å; S745-Y756 VanDerWaalsContact CB-OH 3.3Å; S745-Y756 WeakPolarHBondContact CB-OH 3.33Å; S745-Y756 WeakPolarHBondContact OG-CE1 3.02Å; S745-Y756 PolarHBondContact OG-OH 2.75Å; S745-Q774 WeakPolarHBondContact O-CG 3.32Å; S745-Q774 PolarHBondContact O-NE2 3.32Å
746	Y	95.2	Very high	94.6	Very high	20 Å²	20	35.8 Å²	35.8	8%	0.078	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	169.5	170.6	71.8	-84.2	0	0	0	110.8	C518 A520 K524 V525 G626 K748	C518-Y746 WeakPolarHBondContact O-CB 3.1Å; A520-Y746 HydrophobicContact CB-CD1 3.76Å; A520-Y746 HydrophobicContact CB-CD2 4.2Å; A520-Y746 HydrophobicContact CB-CE1 3.47Å; A520-Y746 VanDerWaalsContact CB-CE1 3.47Å; A520-Y746 HydrophobicContact CB-CE2 3.95Å; A520-Y746 HydrophobicContact CB-CG 4.12Å; K524-Y746 HydrophobicContact CB-CE2 4.31Å; V525-Y746 HydrophobicContact CB-CD2 4.47Å; V525-Y746 HydrophobicContact CG2-CD2 3.79Å; V525-Y746 HydrophobicContact CG2-CE2 3.98Å; G626-Y746 VanDerWaalsContact CA-CE1 3.47Å; G626-Y746 PolarHBondContact N-O 3.44Å; G626-Y746 PolarHBondContact O-N 3.42Å; Y746-K748 HydrophobicContact CD2-CG 4.41Å; Y746-K748 HydrophobicContact CE2-CB 4.37Å; Y746-K748 HydrophobicContact CE2-CG 3.56Å
747	I	95.8	Very high	94.6	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.5	176.1	-53.9	-56.7	0	0	0	109.7	S526 H529 Q532 L625 A751 D752 Y756	S526-I747 PolarHBondContact N-O 3Å; H529-I747 HydrophobicContact CB-CB 4.34Å; H529-I747 HydrophobicContact CB-CG2 3.67Å; Q532-I747 HydrophobicContact CG-CD1 4.5Å; Q532-I747 HydrophobicContact CG-CG1 4.01Å; L625-I747 HydrophobicContact CD2-CD1 3.53Å; I747-A751 VanDerWaalsContact CG2-C 3.47Å; I747-A751 HydrophobicContact CG2-CB 3.87Å; I747-A751 WeakPolarHBondContact CG2-O 3.42Å; I747-D752 WeakPolarHBondContact CD1-O 3.47Å; I747-Y756 HydrophobicContact CD1-CD2 3.93Å; I747-Y756 HydrophobicContact CD1-CE2 3.45Å; I747-Y756 VanDerWaalsContact CD1-CE2 3.45Å; I747-Y756 HydrophobicContact CG1-CE2 4.39Å
748	K	96.8	Very high	94.6	Very high	64 Å²	64	32.2 Å²	32.2	28%	0.278	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-72.5	160.2	173.5	-73.2	-176.5	-62.6	-172.2	0	110.8	K524 S526 A623 A624 L625 Y746 G750 A751	K524-K748 WeakPolarHBondContact O-CA 3.37Å; S526-K748 WeakPolarHBondContact CB-O 3.22Å; A623-K748 PolarHBondContact O-NZ 2.55Å; A624-K748 VanDerWaalsContact C-CE 3.49Å; A624-K748 WeakPolarHBondContact O-CE 3.47Å; L625-K748 VanDerWaalsContact O-CE 3.24Å; L625-K748 WeakPolarHBondContact O-CE 3.42Å; L625-K748 PolarHBondContact O-NZ 3.08Å; Y746-K748 HydrophobicContact CD2-CG 4.41Å; Y746-K748 HydrophobicContact CE2-CB 4.37Å; Y746-K748 HydrophobicContact CE2-CG 3.56Å; K748-G750 PolarHBondContact O-N 2.61Å; K748-A751 WeakPolarHBondContact O-CB 3.33Å; K748-A751 PolarHBondContact O-N 3.38Å
749	V	96.5	Very high	94.4	Very high	60 Å²	60	29.9 Å²	29.9	36%	0.364	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	127.9	169.1	-176.3	0	0	0	0	110.2	D477 N479 K524 A751	D477-V749 HydrophobicContact CB-CG1 4.31Å; D477-V749 VanDerWaalsContact O-CG1 3.27Å; D477-V749 WeakPolarHBondContact O-CG1 3.5Å; D477-V749 WeakPolarHBondContact OD2-CA 3.39Å; N479-V749 HydrophobicContact CB-CG2 3.82Å; K524-V749 PolarHBondContact O-N 3.17Å; V749-A751 VanDerWaalsContact C-N 3.33Å
750	G	93.9	Very high	94.2	Very high	68 Å²	68	29 Å²	29	70%	0.701	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	-3.3	-179.2	0	0	0	0	0	115.7	D477 K748	D477-G750 PolarHBondContact OD2-N 3.2Å; K748-G750 PolarHBondContact O-N 2.61Å
751	A	94.6	Very high	93.7	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.033	18%	0.179	C	C	.	.			trans	-97	163.6	169.2	0	0	0	0	0	110.4	H529 A624 I747 K748 V749 D755	H529-A751 PolarHBondContact CD2-O 3.37Å; H529-A751 VanDerWaalsContact CD2-O 3.24Å; A624-A751 HydrophobicContact CB-CB 3.97Å; A624-A751 WeakPolarHBondContact O-CB 3.38Å; I747-A751 VanDerWaalsContact CG2-C 3.47Å; I747-A751 HydrophobicContact CG2-CB 3.87Å; I747-A751 WeakPolarHBondContact CG2-O 3.42Å; K748-A751 WeakPolarHBondContact O-CB 3.33Å; K748-A751 PolarHBondContact O-N 3.38Å; V749-A751 VanDerWaalsContact C-N 3.33Å; A751-D755 WeakPolarHBondContact CB-OD2 3.37Å
752	D	92.8	Very high	93.1	Very high	52 Å²	52	31.9 Å²	31.9	28%	0.278	18%	0.183	S	C	.	.			trans	-134.2	178.9	175.7	72.9	32.2	0	0	0	112	I747 E754 D755	I747-D752 WeakPolarHBondContact CD1-O 3.47Å; D752-E754 VanDerWaalsContact C-N 3.31Å; D752-E754 PolarHBondContact O-N 3.27Å; D752-E754 WeakPolarHBondContact OD1-CA 3.43Å; D752-E754 WeakPolarHBondContact OD1-CB 3.18Å; D752-E754 PolarHBondContact OD1-N 3.35Å; D752-D755 PolarHBondContact N-OD2 3.21Å; D752-D755 VanDerWaalsContact N-OD2 3.15Å; D752-D755 WeakPolarHBondContact O-CB 3.14Å; D752-D755 PolarHBondContact O-N 2.82Å; D752-D755 PolarHBondContact OD1-N 2.74Å
753	G	92	Very high	92.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-19.7	-179.6	0	0	0	0	0	114.4	D755 Y756 R770	G753-D755 PolarHBondContact O-N 2.85Å; G753-Y756 WeakPolarHBondContact O-CB 3.42Å; G753-Y756 PolarHBondContact O-N 3.19Å; G753-Y756 VanDerWaalsContact O-N 3.15Å; G753-R770 VanDerWaalsContact C-CD 3.4Å; G753-R770 VanDerWaalsContact C-CZ 3.49Å; G753-R770 VanDerWaalsContact C-NH1 3.33Å; G753-R770 WeakPolarHBondContact O-CD 3.39Å; G753-R770 VanDerWaalsContact O-CG 3.28Å; G753-R770 WeakPolarHBondContact O-CG 3.28Å
754	E	93.3	Very high	89.3	Confident	103 Å²	103	40.5 Å²	40.5	48%	0.481	24%	0.239	S	C	.	.	H	α-helix	trans	-64.6	-23.9	175.8	-57.9	-168.7	173.2	0	0	111.2	D752 Y756 D757 I758	D752-E754 VanDerWaalsContact C-N 3.31Å; D752-E754 PolarHBondContact O-N 3.27Å; D752-E754 WeakPolarHBondContact OD1-CA 3.43Å; D752-E754 WeakPolarHBondContact OD1-CB 3.18Å; D752-E754 PolarHBondContact OD1-N 3.35Å; E754-Y756 PolarHBondContact O-N 2.99Å; E754-D757 CarbonylContact O-C 3.51Å; E754-D757 WeakPolarHBondContact O-CA 3.41Å; E754-D757 WeakPolarHBondContact O-CB 3.41Å; E754-D757 PolarHBondContact O-N 3.49Å; E754-I758 WeakPolarHBondContact O-CG1 3.3Å; E754-I758 PolarHBondContact O-N 3.45Å
755	D	95	Very high	87.1	Confident	18 Å²	18	43.6 Å²	43.6	10%	0.096	25%	0.253	C	S	.	.	H	α-helix	trans	-55.6	-34.8	172.6	-72.9	-48.9	0	0	0	112.3	S621 L625 A751 D752 G753 D757 V759	S621-D755 VanDerWaalsContact CA-OD1 3.3Å; S621-D755 WeakPolarHBondContact CA-OD1 3.41Å; S621-D755 WeakPolarHBondContact CB-OD1 3.41Å; S621-D755 PolarHBondContact OG-OD1 3.16Å; L625-D755 HydrophobicContact CD1-CB 4.35Å; L625-D755 HydrophobicContact CD2-CB 3.81Å; L625-D755 HydrophobicContact CG-CB 3.9Å; A751-D755 WeakPolarHBondContact CB-OD2 3.37Å; D752-D755 PolarHBondContact N-OD2 3.21Å; D752-D755 VanDerWaalsContact N-OD2 3.15Å; D752-D755 WeakPolarHBondContact O-CB 3.14Å; D752-D755 PolarHBondContact O-N 2.82Å; D752-D755 PolarHBondContact OD1-N 2.74Å; G753-D755 PolarHBondContact O-N 2.85Å; D755-D757 VanDerWaalsContact C-N 3.32Å; D755-D757 PolarHBondContact O-N 3.41Å; D755-V759 WeakPolarHBondContact O-CB 3.1Å; D755-V759 WeakPolarHBondContact O-CG2 3.3Å; D755-V759 PolarHBondContact O-N 3.44Å
756	Y	93.4	Very high	84.5	Confident	20 Å²	20	53 Å²	53	8%	0.078	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-37.7	172.7	-79.7	-74.7	0	0	0	112.8	L625 S745 I747 G753 E754 A760 P773	L625-Y756 HydrophobicContact CD1-CD1 4.21Å; L625-Y756 HydrophobicContact CD1-CE1 4.28Å; L625-Y756 HydrophobicContact CD1-CG 4.49Å; L625-Y756 HydrophobicContact CD2-CD2 4.22Å; L625-Y756 HydrophobicContact CD2-CE2 4.02Å; S745-Y756 VanDerWaalsContact CB-OH 3.3Å; S745-Y756 WeakPolarHBondContact CB-OH 3.33Å; S745-Y756 WeakPolarHBondContact OG-CE1 3.02Å; S745-Y756 PolarHBondContact OG-OH 2.75Å; I747-Y756 HydrophobicContact CD1-CD2 3.93Å; I747-Y756 HydrophobicContact CD1-CE2 3.45Å; I747-Y756 VanDerWaalsContact CD1-CE2 3.45Å; I747-Y756 HydrophobicContact CG1-CE2 4.39Å; G753-Y756 WeakPolarHBondContact O-CB 3.42Å; G753-Y756 PolarHBondContact O-N 3.19Å; G753-Y756 VanDerWaalsContact O-N 3.15Å; E754-Y756 PolarHBondContact O-N 2.99Å; Y756-A760 WeakPolarHBondContact O-CB 3.21Å; Y756-A760 PolarHBondContact O-N 3Å; Y756-P773 HydrophobicContact CE1-CB 3.88Å; Y756-P773 HydrophobicContact CE2-CB 4.06Å
757	D	92.8	Very high	82.2	Confident	33 Å²	33	52.8 Å²	52.8	18%	0.176	29%	0.289	C	S	.	.	H	α-helix	trans	-73.3	-44.8	-178.9	-65.9	-18.5	0	0	0	109.9	E754 D755 V759 A760 E761 A767 S768 N769 R770	E754-D757 CarbonylContact O-C 3.51Å; E754-D757 WeakPolarHBondContact O-CA 3.41Å; E754-D757 WeakPolarHBondContact O-CB 3.41Å; E754-D757 PolarHBondContact O-N 3.49Å; D755-D757 VanDerWaalsContact C-N 3.32Å; D755-D757 PolarHBondContact O-N 3.41Å; D757-V759 VanDerWaalsContact C-N 3.33Å; D757-V759 PolarHBondContact O-N 2.92Å; D757-A760 CarbonylContact O-C 3.59Å; D757-A760 WeakPolarHBondContact O-CA 3.34Å; D757-A760 PolarHBondContact O-N 2.87Å; D757-E761 WeakPolarHBondContact O-CG 2.77Å; D757-E761 PolarHBondContact O-N 3.3Å; D757-A767 CarbonylContact C-O 3.18Å; D757-A767 VanDerWaalsContact CA-O 3.29Å; D757-A767 WeakPolarHBondContact CA-O 3.5Å; D757-A767 VanDerWaalsContact CB-O 3.25Å; D757-A767 WeakPolarHBondContact CB-O 3.47Å; D757-A767 VanDerWaalsContact O-O 3.09Å; D757-S768 WeakPolarHBondContact OD1-CA 3.46Å; D757-S768 WeakPolarHBondContact OD1-CB 3.48Å; D757-N769 PolarHBondContact OD1-N 3.17Å; D757-R770 WeakPolarHBondContact OD1-CB 3.41Å; D757-R770 PolarHBondContact OD1-N 3.48Å; D757-R770 VanDerWaalsContact OD1-N 3.08Å
758	I	93	Very high	80.2	Confident	15 Å²	15	55.1 Å²	55.1	8%	0.077	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-43.7	174.1	-65.2	170.3	0	0	0	111.2	R617 K618 S621 E754 A760 E761	R617-I758 HydrophobicContact CG-CD1 4.43Å; R617-I758 HydrophobicContact CG-CG2 4.05Å; K618-I758 HydrophobicContact CB-CG2 4.48Å; K618-I758 PolarHBondContact NZ-O 2.86Å; S621-I758 WeakPolarHBondContact OG-CD1 3.1Å; S621-I758 WeakPolarHBondContact OG-CG2 3.42Å; E754-I758 WeakPolarHBondContact O-CG1 3.3Å; E754-I758 PolarHBondContact O-N 3.45Å; I758-A760 VanDerWaalsContact C-N 3.27Å; I758-A760 PolarHBondContact O-N 3.38Å; I758-E761 PolarHBondContact O-N 3.27Å
759	V	91.8	Very high	78.6	Confident	44 Å²	44	54.1 Å²	54.1	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-38.1	175.6	170.6	0	0	0	0	111.1	K618 I622 L625 D755 D757	K618-V759 PolarHBondContact NZ-O 3.22Å; I622-V759 HydrophobicContact CG1-CG2 3.84Å; L625-V759 HydrophobicContact CD1-CG2 4.11Å; D755-V759 WeakPolarHBondContact O-CB 3.1Å; D755-V759 WeakPolarHBondContact O-CG2 3.3Å; D755-V759 PolarHBondContact O-N 3.44Å; D757-V759 VanDerWaalsContact C-N 3.33Å; D757-V759 PolarHBondContact O-N 2.92Å
760	A	89.7	Confident	78.3	Confident	12 Å²	12	52.3 Å²	52.3	10%	0.099	29%	0.29	C	S	.	.	H	α-helix	trans	-81	-13.3	-178.8	0	0	0	0	0	115.3	Y756 D757 I758 D762 A767 N769 K789	Y756-A760 WeakPolarHBondContact O-CB 3.21Å; Y756-A760 PolarHBondContact O-N 3Å; D757-A760 CarbonylContact O-C 3.59Å; D757-A760 WeakPolarHBondContact O-CA 3.34Å; D757-A760 PolarHBondContact O-N 2.87Å; I758-A760 VanDerWaalsContact C-N 3.27Å; I758-A760 PolarHBondContact O-N 3.38Å; A760-D762 PolarHBondContact O-N 3.15Å; A760-A767 HydrophobicContact CB-CB 3.99Å; A760-A767 WeakPolarHBondContact O-CB 3.4Å; A760-N769 HydrophobicContact CB-CB 3.68Å; A760-K789 PolarHBondContact O-NZ 3.24Å
761	E	86.7	Confident	78.1	Confident	37 Å²	37	52.3 Å²	52.3	17%	0.173	27%	0.271	C	S	.	.			trans	-53.6	131.7	174.4	-60.4	-175	154.3	0	0	108.9	R617 K618 D757 I758 K765	R617-E761 IonicContact CZ-OE1 3.81Å; R617-E761 IonicContact NH1-OE1 3.67Å; R617-E761 PolarHBondContact NH1-OE1 3.44Å; R617-E761 IonicContact NH1-OE2 3.47Å; R617-E761 PolarHBondContact NH1-OE2 2.75Å; R617-E761 IonicContact NH2-OE1 2.76Å; K618-E761 PolarHBondContact NZ-O 3.03Å; D757-E761 WeakPolarHBondContact O-CG 2.77Å; D757-E761 PolarHBondContact O-N 3.3Å; I758-E761 PolarHBondContact O-N 3.27Å; E761-K765 WeakPolarHBondContact CA-O 3.31Å; E761-K765 WeakPolarHBondContact CB-O 3.44Å
762	D	82.6	Confident	78	Confident	47 Å²	47	52.6 Å²	52.6	25%	0.251	27%	0.272	S	S	.	.			trans	-72.3	170	161.6	69.9	62.2	0	0	0	108.2	A760 A764 K765	A760-D762 PolarHBondContact O-N 3.15Å; D762-A764 PolarHBondContact O-N 3.19Å; D762-A764 VanDerWaalsContact OD1-CA 3.28Å; D762-A764 WeakPolarHBondContact OD1-CA 3.15Å; D762-A764 WeakPolarHBondContact OD1-CB 3.24Å; D762-A764 PolarHBondContact OD1-N 3.19Å; D762-K765 PolarHBondContact N-O 3.32Å; D762-K765 PolarHBondContact OD1-N 3.33Å; D762-K765 VanDerWaalsContact OD2-CB 3.31Å; D762-K765 WeakPolarHBondContact OD2-CB 3.5Å
763	L	72.8	Confident	78	Confident	103 Å²	103	50.8 Å²	50.8	54%	0.539	26%	0.263	S	S	.	.	S	Bend	trans	-64.2	-9.8	-176.6	-64.3	175.8	0	0	0	113.6	Y574 P615	Y574-L763 HydrophobicContact CD2-CD1 3.66Å; Y574-L763 HydrophobicContact CE1-CD1 4.49Å; Y574-L763 HydrophobicContact CE2-CD1 3.26Å; Y574-L763 HydrophobicContact CG-CD1 4.42Å; P615-L763 HydrophobicContact CG-CD2 4.08Å
764	A	37.7	Very low	78	Confident	92 Å²	92	54.3 Å²	54.3	76%	0.76	28%	0.28	S	S	*	.	S	Bend	trans	-119.6	-25.9	-178.7	0	0	0	0	0	114.9	D762	D762-A764 PolarHBondContact O-N 3.19Å; D762-A764 VanDerWaalsContact OD1-CA 3.28Å; D762-A764 WeakPolarHBondContact OD1-CA 3.15Å; D762-A764 WeakPolarHBondContact OD1-CB 3.24Å; D762-A764 PolarHBondContact OD1-N 3.19Å
765	K	47.6	Very low	78	Confident	102 Å²	102	51.2 Å²	51.2	44%	0.443	27%	0.268	S	S	.	.	S	Bend	trans	-132.7	144.9	-171	-49.6	175.1	179.5	172.9	0	112.5	E761 D762 G792	E761-K765 WeakPolarHBondContact CA-O 3.31Å; E761-K765 WeakPolarHBondContact CB-O 3.44Å; D762-K765 PolarHBondContact N-O 3.32Å; D762-K765 PolarHBondContact OD1-N 3.33Å; D762-K765 VanDerWaalsContact OD2-CB 3.31Å; D762-K765 WeakPolarHBondContact OD2-CB 3.5Å; K765-G792 PolarHBondContact NZ-OXT 3.34Å
766	R	40.8	Very low	77.9	Confident	213 Å²	213	51.5 Å²	51.5	80%	0.804	27%	0.268	S	S	*	.			trans	-66.6	148.8	172.6	-66.9	-173.7	178.1	179.4	-1.1	111.1
767	A	47.8	Very low	78	Confident	16 Å²	16	50.5 Å²	50.5	13%	0.132	26%	0.264	C	S	.	.			trans	-147.3	155.2	176.9	0	0	0	0	0	111.5	D757 A760	D757-A767 CarbonylContact C-O 3.18Å; D757-A767 VanDerWaalsContact CA-O 3.29Å; D757-A767 WeakPolarHBondContact CA-O 3.5Å; D757-A767 VanDerWaalsContact CB-O 3.25Å; D757-A767 WeakPolarHBondContact CB-O 3.47Å; D757-A767 VanDerWaalsContact O-O 3.09Å; A760-A767 HydrophobicContact CB-CB 3.99Å; A760-A767 WeakPolarHBondContact O-CB 3.4Å
768	S	51.9	Low	78.1	Confident	55 Å²	55	49.1 Å²	49.1	39%	0.385	26%	0.258	S	S	.	.			trans	-115.2	127.9	172.6	61.9	0	0	0	0	112.5	D757 R785	D757-S768 WeakPolarHBondContact OD1-CA 3.46Å; D757-S768 WeakPolarHBondContact OD1-CB 3.48Å; S768-R785 WeakPolarHBondContact O-CD 3.32Å; S768-R785 PolarHBondContact O-NH1 2.82Å
769	N	64.4	Low	78.2	Confident	43 Å²	43	49.7 Å²	49.7	23%	0.23	27%	0.265	C	S	.	.			trans	-125.1	3.1	170.3	-155.7	16.3	0	0	0	113.3	D757 A760 Q771 S782 R785	D757-N769 PolarHBondContact OD1-N 3.17Å; A760-N769 HydrophobicContact CB-CB 3.68Å; N769-Q771 VanDerWaalsContact C-N 3.27Å; N769-Q771 PolarHBondContact O-N 2.91Å; N769-S782 WeakPolarHBondContact OD1-CB 3.27Å; N769-R785 VanDerWaalsContact CA-NH1 3.25Å; N769-R785 PolarHBondContact OD1-NH1 3.11Å
770	R	89.1	Confident	78.4	Confident	22 Å²	22	47.6 Å²	47.6	8%	0.083	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.2	-170.9	179.7	-176.4	176.3	155	1.2	115.1	Q532 F536 G753 D757 P773	Q532-R770 PolarHBondContact NE2-O 3.35Å; F536-R770 HydrophobicContact CE2-CB 4.49Å; F536-R770 HydrophobicContact CE2-CG 3.94Å; G753-R770 VanDerWaalsContact C-CD 3.4Å; G753-R770 VanDerWaalsContact C-CZ 3.49Å; G753-R770 VanDerWaalsContact C-NH1 3.33Å; G753-R770 WeakPolarHBondContact O-CD 3.39Å; G753-R770 VanDerWaalsContact O-CG 3.28Å; G753-R770 WeakPolarHBondContact O-CG 3.28Å; D757-R770 WeakPolarHBondContact OD1-CB 3.41Å; D757-R770 PolarHBondContact OD1-N 3.48Å; D757-R770 VanDerWaalsContact OD1-N 3.08Å; R770-P773 WeakPolarHBondContact O-CD 3.41Å
771	Q	90.6	Very high	78.7	Confident	67 Å²	67	48.4 Å²	48.4	31%	0.313	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-41.5	-170.2	-63	-177.4	-4	0	0	114	F536 Q538 N769	F536-Q771 HydrophobicContact CB-CB 4.37Å; F536-Q771 HydrophobicContact CB-CG 4.05Å; F536-Q771 HydrophobicContact CD1-CG 3.99Å; F536-Q771 HydrophobicContact CD2-CG 4.13Å; F536-Q771 HydrophobicContact CE1-CG 4.49Å; F536-Q771 HydrophobicContact CG-CB 4.45Å; F536-Q771 HydrophobicContact CG-CG 3.78Å; Q538-Q771 PolarHBondContact NE2-O 2.65Å; Q538-Q771 PolarHBondContact OE1-O 2.96Å; N769-Q771 VanDerWaalsContact C-N 3.27Å; N769-Q771 PolarHBondContact O-N 2.91Å
772	F	92.3	Very high	79.1	Confident	11 Å²	11	47.2 Å²	47.2	5%	0.048	25%	0.251	C	S	.	.	S	Bend	trans	-131.4	61.2	-172.3	-46.6	-58	0	0	0	111	A257 L258 A537 F539 G778 V781	A257-F772 HydrophobicContact CB-CE1 3.52Å; A257-F772 HydrophobicContact CB-CZ 3.49Å; A257-F772 VanDerWaalsContact CB-CZ 3.49Å; L258-F772 HydrophobicContact CD2-CE2 4.45Å; A537-F772 WeakPolarHBondContact O-CE1 3.35Å; F539-F772 AromaticContact CD2-CD1 3.87Å; F539-F772 HydrophobicContact CD2-CD1 3.87Å; F539-F772 HydrophobicContact CD2-CE1 4.1Å; F539-F772 HydrophobicContact CD2-CG 4.34Å; F539-F772 HydrophobicContact CE2-CB 4.28Å; F539-F772 AromaticContact CE2-CD1 3.57Å; F539-F772 HydrophobicContact CE2-CD1 3.57Å; F539-F772 AromaticContact CE2-CD2 3.91Å; F539-F772 HydrophobicContact CE2-CD2 3.91Å; F539-F772 AromaticContact CE2-CE1 3.83Å; F539-F772 HydrophobicContact CE2-CE1 3.83Å; F539-F772 HydrophobicContact CE2-CE2 4.14Å; F539-F772 AromaticContact CE2-CG 3.63Å; F539-F772 HydrophobicContact CE2-CG 3.63Å; F539-F772 HydrophobicContact CE2-CZ 4.11Å; F539-F772 HydrophobicContact CZ-CD1 4.48Å; F539-F772 HydrophobicContact CZ-CD2 4.28Å; F539-F772 HydrophobicContact CZ-CE1 4.4Å; F539-F772 HydrophobicContact CZ-CE2 4.19Å; F539-F772 HydrophobicContact CZ-CG 4.44Å; F539-F772 HydrophobicContact CZ-CZ 4.26Å; F772-G778 WeakPolarHBondContact O-CA 3.33Å; F772-V781 HydrophobicContact CD2-CG1 4.29Å; F772-V781 HydrophobicContact CE2-CG1 4.5Å
773	P	92.6	Very high	79.8	Confident	14 Å²	14	45 Å²	45	9%	0.091	24%	0.239	C	C	.	.			trans	-64.9	170.1	-180	32.5	-36.6	0	0	0	110.9	N533 Y756 R770 T775	N533-P773 HydrophobicContact CB-CG 4.04Å; Y756-P773 HydrophobicContact CE1-CB 3.88Å; Y756-P773 HydrophobicContact CE2-CB 4.06Å; R770-P773 WeakPolarHBondContact O-CD 3.41Å; P773-T775 PolarHBondContact O-N 3.15Å
774	Q	92.3	Very high	80.9	Confident	74 Å²	74	40.5 Å²	40.5	35%	0.346	22%	0.216	S	C	.	.	S	Bend	trans	69.2	-37.4	169.8	-53.1	173.5	-38.2	0	0	118	S517 Y744 S745	S517-Q774 PolarHBondContact O-NE2 3.11Å; S517-Q774 PolarHBondContact O-OE1 3.12Å; Y744-Q774 HydrophobicContact CD2-CB 3.94Å; Y744-Q774 HydrophobicContact CD2-CG 3.73Å; Y744-Q774 HydrophobicContact CG-CB 3.95Å; Y744-Q774 HydrophobicContact CG-CG 4.17Å; S745-Q774 WeakPolarHBondContact O-CG 3.32Å; S745-Q774 PolarHBondContact O-NE2 3.32Å
775	T	92.6	Very high	83.6	Confident	38 Å²	38	38.6 Å²	38.6	23%	0.233	19%	0.189	C	C	.	.	S	Bend	trans	-81.8	152.9	-170.2	65.5	0	0	0	0	112.6	P773 T777 G778 A779	P773-T775 PolarHBondContact O-N 3.15Å; T775-T777 PolarHBondContact O-N 3.24Å; T775-G778 PolarHBondContact O-N 3.5Å; T775-G778 PolarHBondContact OG1-N 3.01Å; T775-A779 PolarHBondContact O-N 3.08Å
776	F	93.3	Very high	85.8	Confident	23 Å²	23	34.8 Å²	34.8	10%	0.101	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-28.1	168.3	54.8	-108.1	0	0	0	111.8	I366 I395 L411 I412 F420 A779 L780	I366-F776 HydrophobicContact CD1-CB 4.34Å; I366-F776 HydrophobicContact CG2-CB 4.29Å; I395-F776 HydrophobicContact CD1-CB 4Å; L411-F776 WeakPolarHBondContact O-CE1 3.42Å; L411-F776 WeakPolarHBondContact O-CZ 3.05Å; I412-F776 HydrophobicContact CB-CZ 4.37Å; I412-F776 HydrophobicContact CG1-CE2 4.27Å; I412-F776 HydrophobicContact CG1-CZ 3.87Å; F420-F776 HydrophobicContact CB-CD2 4.18Å; F420-F776 HydrophobicContact CB-CE2 3.81Å; F420-F776 HydrophobicContact CD1-CD2 4.38Å; F420-F776 AromaticContact CD1-CE2 3.65Å; F420-F776 HydrophobicContact CD1-CE2 3.65Å; F420-F776 HydrophobicContact CD1-CZ 4.29Å; F420-F776 AromaticContact CD2-CD2 3.5Å; F420-F776 HydrophobicContact CD2-CD2 3.5Å; F420-F776 VanDerWaalsContact CD2-CD2 3.5Å; F420-F776 AromaticContact CD2-CE2 3.63Å; F420-F776 HydrophobicContact CD2-CE2 3.63Å; F420-F776 HydrophobicContact CE1-CE2 4.09Å; F420-F776 HydrophobicContact CE1-CZ 4.44Å; F420-F776 AromaticContact CE2-CD2 3.9Å; F420-F776 HydrophobicContact CE2-CD2 3.9Å; F420-F776 HydrophobicContact CE2-CE2 4.07Å; F420-F776 AromaticContact CG-CD2 3.76Å; F420-F776 HydrophobicContact CG-CD2 3.76Å; F420-F776 AromaticContact CG-CE2 3.4Å; F420-F776 HydrophobicContact CG-CE2 3.4Å; F420-F776 HydrophobicContact CG-CZ 4.43Å; F420-F776 HydrophobicContact CZ-CD2 4.5Å; F420-F776 HydrophobicContact CZ-CE2 4.28Å; F776-A779 PolarHBondContact O-N 3.47Å; F776-L780 WeakPolarHBondContact O-CB 3.36Å; F776-L780 PolarHBondContact O-N 3.31Å
777	T	95.3	Very high	88.4	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-46.2	172.6	-48.4	0	0	0	0	110.9	N418 P419 F539 T775 A779 L780 V781	N418-T777 PolarHBondContact ND2-OG1 3.49Å; N418-T777 VanDerWaalsContact OD1-CG2 3.28Å; N418-T777 WeakPolarHBondContact OD1-CG2 2.99Å; N418-T777 PolarHBondContact OD1-OG1 3.2Å; P419-T777 HydrophobicContact CG-CG2 3.86Å; F539-T777 HydrophobicContact CD2-CG2 4.18Å; F539-T777 HydrophobicContact CE1-CG2 4.29Å; F539-T777 HydrophobicContact CE2-CG2 3.48Å; F539-T777 VanDerWaalsContact CE2-CG2 3.48Å; F539-T777 HydrophobicContact CZ-CG2 3.56Å; T775-T777 PolarHBondContact O-N 3.24Å; T777-A779 VanDerWaalsContact C-N 3.35Å; T777-A779 PolarHBondContact O-N 2.94Å; T777-L780 WeakPolarHBondContact O-CB 3.25Å; T777-L780 PolarHBondContact O-N 2.77Å; T777-V781 WeakPolarHBondContact O-CG2 3.38Å; T777-V781 PolarHBondContact O-N 3.36Å
778	G	94.7	Very high	90.5	Very high	4 Å²	4	26.3 Å²	26.3	4%	0.041	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-43.8	175	0	0	0	0	0	112.9	F772 T775 L780 V781 S782	F772-G778 WeakPolarHBondContact O-CA 3.33Å; T775-G778 PolarHBondContact O-N 3.5Å; T775-G778 PolarHBondContact OG1-N 3.01Å; G778-L780 PolarHBondContact O-N 2.71Å; G778-V781 PolarHBondContact O-N 3.25Å; G778-S782 WeakPolarHBondContact O-CB 3.14Å; G778-S782 PolarHBondContact O-N 3.01Å
779	A	96	Very high	92.5	Very high	26 Å²	26	25.1 Å²	25.1	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-44.2	174.1	0	0	0	0	0	111.9	I366 S367 T775 F776 T777 S782 G783	I366-A779 HydrophobicContact CG2-CB 3.57Å; S367-A779 WeakPolarHBondContact CA-O 3.25Å; S367-A779 VanDerWaalsContact CB-O 3.29Å; S367-A779 WeakPolarHBondContact CB-O 3.29Å; S367-A779 PolarHBondContact OG-O 3.34Å; T775-A779 PolarHBondContact O-N 3.08Å; F776-A779 PolarHBondContact O-N 3.47Å; T777-A779 VanDerWaalsContact C-N 3.35Å; T777-A779 PolarHBondContact O-N 2.94Å; A779-S782 PolarHBondContact O-N 3.12Å; A779-S782 PolarHBondContact O-OG 2.88Å; A779-G783 PolarHBondContact O-N 3.22Å
780	L	96.5	Very high	93.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-53.9	173.7	-178.7	175.4	0	0	0	111.4	I366 T370 P419 F420 M423 F776 T777 G778 S782 G783 L784	I366-L780 HydrophobicContact CD1-CB 4.21Å; I366-L780 HydrophobicContact CD1-CD1 4.39Å; I366-L780 HydrophobicContact CG1-CB 4.3Å; T370-L780 HydrophobicContact CG2-CD2 4.01Å; T370-L780 HydrophobicContact CG2-CG 3.98Å; P419-L780 HydrophobicContact CB-CD1 4.02Å; P419-L780 HydrophobicContact CB-CD2 3.71Å; P419-L780 HydrophobicContact CG-CD1 4.14Å; P419-L780 HydrophobicContact CG-CD2 3.76Å; F420-L780 HydrophobicContact CB-CD1 4.42Å; M423-L780 HydrophobicContact CE-CD1 3.24Å; M423-L780 HydrophobicContact CE-CG 4.36Å; M423-L780 HydrophobicContact SD-CD1 4.22Å; F776-L780 WeakPolarHBondContact O-CB 3.36Å; F776-L780 PolarHBondContact O-N 3.31Å; T777-L780 WeakPolarHBondContact O-CB 3.25Å; T777-L780 PolarHBondContact O-N 2.77Å; G778-L780 PolarHBondContact O-N 2.71Å; L780-S782 PolarHBondContact O-N 3.22Å; L780-G783 WeakPolarHBondContact O-CA 3.31Å; L780-G783 PolarHBondContact O-N 2.85Å; L780-L784 HydrophobicContact CD2-CD1 3.61Å; L780-L784 HydrophobicContact CD2-CG 4.08Å; L780-L784 PolarHBondContact O-N 2.79Å; L780-L784 VanDerWaalsContact O-N 3.08Å
781	V	95.6	Very high	94	Very high	28 Å²	28	25.1 Å²	25.1	17%	0.17	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-38.5	-179.9	172.1	0	0	0	0	110.9	L258 P419 F539 F772 T777 G778 G783 L784 R785	L258-V781 HydrophobicContact CD1-CG2 4.47Å; P419-V781 HydrophobicContact CG-CG2 3.8Å; F539-V781 HydrophobicContact CZ-CG2 4.46Å; F772-V781 HydrophobicContact CD2-CG1 4.29Å; F772-V781 HydrophobicContact CE2-CG1 4.5Å; T777-V781 WeakPolarHBondContact O-CG2 3.38Å; T777-V781 PolarHBondContact O-N 3.36Å; G778-V781 PolarHBondContact O-N 3.25Å; V781-G783 VanDerWaalsContact C-N 3.33Å; V781-G783 PolarHBondContact O-N 2.81Å; V781-L784 PolarHBondContact O-N 3.28Å; V781-R785 PolarHBondContact O-N 3.33Å
782	S	95.3	Very high	93.5	Very high	12 Å²	12	25.8 Å²	25.8	8%	0.084	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-38.7	175.4	81.9	0	0	0	0	112.2	S367 N769 G778 A779 L780 R785 E786	S367-S782 PolarHBondContact OG-OG 2.9Å; N769-S782 WeakPolarHBondContact OD1-CB 3.27Å; G778-S782 WeakPolarHBondContact O-CB 3.14Å; G778-S782 PolarHBondContact O-N 3.01Å; A779-S782 PolarHBondContact O-N 3.12Å; A779-S782 PolarHBondContact O-OG 2.88Å; L780-S782 PolarHBondContact O-N 3.22Å; S782-R785 PolarHBondContact O-N 2.61Å; S782-E786 WeakPolarHBondContact O-CG 3.1Å; S782-E786 PolarHBondContact O-N 3.37Å; S782-E786 VanDerWaalsContact O-N 3.14Å
783	G	96.6	Very high	93.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-44.6	173.7	0	0	0	0	0	112.5	A779 L780 V781 E786 V787	A779-G783 PolarHBondContact O-N 3.22Å; L780-G783 WeakPolarHBondContact O-CA 3.31Å; L780-G783 PolarHBondContact O-N 2.85Å; V781-G783 VanDerWaalsContact C-N 3.33Å; V781-G783 PolarHBondContact O-N 2.81Å; G783-E786 PolarHBondContact O-N 3.43Å; G783-V787 WeakPolarHBondContact O-CG2 3.27Å; G783-V787 PolarHBondContact O-N 2.79Å
784	L	95.7	Very high	93.6	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.052	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-43	175.5	-67	175.4	0	0	0	112.1	F340 T370 H374 L780 V781 E786 V787	F340-L784 HydrophobicContact CB-CD1 4.21Å; F340-L784 HydrophobicContact CB-CD2 3.93Å; F340-L784 HydrophobicContact CD2-CD1 4.3Å; F340-L784 HydrophobicContact CG-CD1 4.17Å; T370-L784 HydrophobicContact CG2-CD2 3.64Å; T370-L784 HydrophobicContact CG2-CG 3.71Å; H374-L784 HydrophobicContact CB-CD2 4.16Å; L780-L784 HydrophobicContact CD2-CD1 3.61Å; L780-L784 HydrophobicContact CD2-CG 4.08Å; L780-L784 PolarHBondContact O-N 2.79Å; L780-L784 VanDerWaalsContact O-N 3.08Å; V781-L784 PolarHBondContact O-N 3.28Å; L784-E786 VanDerWaalsContact C-N 3.34Å; L784-E786 PolarHBondContact O-N 2.93Å; L784-V787 PolarHBondContact O-N 3.43Å
785	R	94.2	Very high	93.7	Very high	51 Å²	51	24.6 Å²	24.6	19%	0.192	15%	0.15	C	C	.	.	H	α-helix	trans	-56.6	-47	177.5	179.3	-166.4	65.1	-125.1	-7.4	111.8	S768 N769 V781 S782 V787 Y788	S768-R785 WeakPolarHBondContact O-CD 3.32Å; S768-R785 PolarHBondContact O-NH1 2.82Å; N769-R785 VanDerWaalsContact CA-NH1 3.25Å; N769-R785 PolarHBondContact OD1-NH1 3.11Å; V781-R785 PolarHBondContact O-N 3.33Å; S782-R785 PolarHBondContact O-N 2.61Å; R785-V787 PolarHBondContact O-N 3.01Å; R785-Y788 PolarHBondContact O-N 3.47Å
786	E	95	Very high	93.7	Very high	23 Å²	23	23.8 Å²	23.8	11%	0.107	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-29.6	-177	-63.7	-47.2	134.1	0	0	112.3	L595 S782 G783 L784 Y788 K789 I790	L595-E786 HydrophobicContact CD1-CB 3.97Å; L595-E786 HydrophobicContact CD1-CG 3.76Å; L595-E786 HydrophobicContact CD2-CB 4.11Å; S782-E786 WeakPolarHBondContact O-CG 3.1Å; S782-E786 PolarHBondContact O-N 3.37Å; S782-E786 VanDerWaalsContact O-N 3.14Å; G783-E786 PolarHBondContact O-N 3.43Å; L784-E786 VanDerWaalsContact C-N 3.34Å; L784-E786 PolarHBondContact O-N 2.93Å; E786-Y788 PolarHBondContact O-N 2.72Å; E786-K789 PolarHBondContact O-N 3.18Å; E786-K789 IonicContact OE1-NZ 3.86Å; E786-K789 PolarHBondContact OE1-NZ 2.86Å; E786-K789 IonicContact OE2-NZ 3.51Å; E786-K789 PolarHBondContact OE2-NZ 3.22Å; E786-I790 HydrophobicContact CB-CD1 4.35Å; E786-I790 WeakPolarHBondContact O-CB 3.01Å; E786-I790 WeakPolarHBondContact O-CD1 3.45Å; E786-I790 WeakPolarHBondContact O-CG1 3.43Å; E786-I790 PolarHBondContact O-N 2.83Å
787	V	95.1	Very high	93.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-47.6	176.7	176.9	0	0	0	0	111.9	A371 H374 L375 L378 G783 L784 R785 K789 I790 L791	A371-V787 HydrophobicContact CB-CG2 4.11Å; H374-V787 HydrophobicContact CB-CG2 4.07Å; H374-V787 VanDerWaalsContact CD2-CG1 3.46Å; H374-V787 WeakPolarHBondContact CD2-CG1 3.44Å; L375-V787 HydrophobicContact CD1-CG2 4.32Å; L375-V787 HydrophobicContact CD2-CB 4.45Å; L375-V787 HydrophobicContact CD2-CG1 3.75Å; L375-V787 HydrophobicContact CD2-CG2 4.46Å; L375-V787 HydrophobicContact CG-CB 4.3Å; L375-V787 HydrophobicContact CG-CG1 3.88Å; L375-V787 HydrophobicContact CG-CG2 3.79Å; L378-V787 HydrophobicContact CD1-CG1 3.92Å; G783-V787 WeakPolarHBondContact O-CG2 3.27Å; G783-V787 PolarHBondContact O-N 2.79Å; L784-V787 PolarHBondContact O-N 3.43Å; R785-V787 PolarHBondContact O-N 3.01Å; V787-K789 VanDerWaalsContact C-N 3.26Å; V787-K789 PolarHBondContact O-N 3.41Å; V787-I790 PolarHBondContact O-N 3.02Å; V787-I790 VanDerWaalsContact O-N 3.15Å; V787-L791 HydrophobicContact CG1-CD1 3.74Å; V787-L791 HydrophobicContact CG1-CG 4.25Å; V787-L791 WeakPolarHBondContact O-CG 3.43Å; V787-L791 PolarHBondContact O-N 3Å
788	Y	92.3	Very high	93.7	Very high	51 Å²	51	25.4 Å²	25.4	20%	0.2	16%	0.158	C	C	.	.	H	α-helix	trans	-59	-40.1	177.9	179.2	-100.4	0	0	0	111.8	E272 Y331 Q334 K335 R785 E786 L791 G792	E272-Y788 PolarHBondContact OE2-OH 3.46Å; Y331-Y788 HydrophobicContact CD2-CE2 4.03Å; Y331-Y788 HydrophobicContact CE2-CE2 4.07Å; Q334-Y788 HydrophobicContact CB-CD2 3.91Å; Q334-Y788 WeakPolarHBondContact O-CB 3.42Å; K335-Y788 HydrophobicContact CD-CD1 3.85Å; K335-Y788 HydrophobicContact CD-CD2 3.7Å; K335-Y788 HydrophobicContact CD-CE1 4.1Å; K335-Y788 HydrophobicContact CD-CE2 3.98Å; K335-Y788 HydrophobicContact CD-CG 3.63Å; K335-Y788 HydrophobicContact CG-CD2 3.84Å; K335-Y788 HydrophobicContact CG-CE2 4.08Å; K335-Y788 HydrophobicContact CG-CG 4.24Å; K335-Y788 VanDerWaalsContact NZ-CD1 3.31Å; R785-Y788 PolarHBondContact O-N 3.47Å; E786-Y788 PolarHBondContact O-N 2.72Å; Y788-L791 PolarHBondContact O-N 2.66Å; Y788-G792 PolarHBondContact O-N 3.23Å
789	K	92.1	Very high	93.6	Very high	30 Å²	30	26.9 Å²	26.9	13%	0.13	17%	0.166	C	C	.	.	H	α-helix	trans	-69.8	-34.5	176.8	-60	-169.5	-154.1	148.8	0	113.4	A760 E786 V787 L791	A760-K789 PolarHBondContact O-NZ 3.24Å; E786-K789 PolarHBondContact O-N 3.18Å; E786-K789 IonicContact OE1-NZ 3.86Å; E786-K789 PolarHBondContact OE1-NZ 2.86Å; E786-K789 IonicContact OE2-NZ 3.51Å; E786-K789 PolarHBondContact OE2-NZ 3.22Å; V787-K789 VanDerWaalsContact C-N 3.26Å; V787-K789 PolarHBondContact O-N 3.41Å; K789-L791 VanDerWaalsContact C-N 3.3Å
790	I	93.7	Very high	93.4	Very high	24 Å²	24	27 Å²	27	12%	0.123	16%	0.162	C	C	.	.	H	α-helix	trans	-68.7	-35.1	178.8	-74	164.8	0	0	0	110.4	L357 V359 L375 K593 L595 E786 V787	L357-I790 HydrophobicContact CD2-CG2 3.64Å; V359-I790 HydrophobicContact CG1-CD1 4.38Å; V359-I790 HydrophobicContact CG2-CG2 3.84Å; L375-I790 HydrophobicContact CD1-CD1 4.1Å; L375-I790 HydrophobicContact CD2-CB 4.39Å; L375-I790 HydrophobicContact CD2-CG2 3.84Å; K593-I790 HydrophobicContact CG-CG2 4.46Å; L595-I790 HydrophobicContact CB-CD1 4.28Å; L595-I790 HydrophobicContact CD2-CD1 4.29Å; E786-I790 HydrophobicContact CB-CD1 4.35Å; E786-I790 WeakPolarHBondContact O-CB 3.01Å; E786-I790 WeakPolarHBondContact O-CD1 3.45Å; E786-I790 WeakPolarHBondContact O-CG1 3.43Å; E786-I790 PolarHBondContact O-N 2.83Å; V787-I790 PolarHBondContact O-N 3.02Å; V787-I790 VanDerWaalsContact O-N 3.15Å
791	L	91.4	Very high	93.1	Very high	40 Å²	40	29.2 Å²	29.2	21%	0.209	18%	0.175	C	C	.	.	H	α-helix	trans	-81.6	-22.4	-178.9	-66.4	175.3	0	0	0	114.5	Q334 A354 L357 L375 L378 V787 Y788 K789	Q334-L791 HydrophobicContact CB-CD1 4.47Å; Q334-L791 HydrophobicContact CG-CD1 4.04Å; A354-L791 HydrophobicContact CB-CD2 3.56Å; L357-L791 HydrophobicContact CD2-CD2 4.43Å; L375-L791 HydrophobicContact CD2-CD2 4.11Å; L375-L791 HydrophobicContact CD2-CG 4.24Å; L378-L791 HydrophobicContact CB-CD1 4.33Å; L378-L791 HydrophobicContact CD1-CD1 3.45Å; L378-L791 VanDerWaalsContact CD1-CD1 3.45Å; L378-L791 HydrophobicContact CG-CD1 4.46Å; V787-L791 HydrophobicContact CG1-CD1 3.74Å; V787-L791 HydrophobicContact CG1-CG 4.25Å; V787-L791 WeakPolarHBondContact O-CG 3.43Å; V787-L791 PolarHBondContact O-N 3Å; Y788-L791 PolarHBondContact O-N 2.66Å; K789-L791 VanDerWaalsContact C-N 3.3Å
792	G	80.8	Confident	92.9	Very high	81 Å²	81	29.3 Å²	29.3	84%	0.835	18%	0.176	S	C	*	.			trans	-110	0	-178.4	0	0	0	0	0	113.6	K765 Y788	K765-G792 PolarHBondContact NZ-OXT 3.34Å; Y788-G792 PolarHBondContact O-N 3.23Å

Retrieved 792 of 792 residues in 263 ms (Link to these results)

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