A0A077ZDV6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZDV6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,006 aa.

						>A0A077ZDV6_TRITR|A0A077ZDV6
MFPEDTATSSCAPDGGADNNTDPFPLHGKVIKALASLWQPRGTMPLTPIAESMLTLSETAYQTTAENGDGKYNIWQSYSTLSFLRFYCKGADDWEWLIYTTRLLGTYAAPREFIDVRARLSDTPKLKDQNTAEIAQRLYDNRNVAKDNSSRDLLNKTILRLAHGLAASPPNSYDEDVFLRLIQIGMLIPNVDCMKEDRLTYFVNPEFVGGTFSYGRCNPLQAYRVNAIAIPLDLYVYTYCGLADDLDNFSLEYWDKSVAVIPVRTTDHGHWLIPYTFAHLTSKIFNAQTPVLSVTRGRTRLDAVPLASLCAVPGPERVLFVLLDATTKDTQLRRWRCGGSYFAVDVPVRPFASSFETVSLGRLFWDWLNGGSADNDVGIAWKNLAARTQAGLKPVSAITMAAELFTRKFWPKALPSSKFASDPGVVDLNNFATKDSAAVHDGVSMPTNSNLTEHVVKRPEIEPRDQWVLFWAEPHLHTKKPYSHLALFNQKSGDTAETFWHPSLPTIAPYVVELRNAPQLKLPDDTAVDVVWAVVVESKYDRHFDVVPCDSREAAYKFLMSGDKTHTLLSQLKPQEAPSCACATSALIKRLHPFDIGSSTTAPTLNKCGRWWTDTKAASDRIARQCGCPDLYLAYETDLENDSDAVAAFQPLLLFRSSPHMRTWTAEWSINKSGVTMTHVDDVKRSQMLLNCDSPDLLYDYSVRTGFHLHRVGNALGFYKADGKMPDFLNARQISLFVRQVASLVGGLFEVFTETHGFNATMVMGLYSEVANEMTTKTLDGLWIPTFGHISGWEVNRNNWQLLGGLEFPSVLLRGDDHTDWRNVFFGLTPHYEIKILLVKLGIWSDDGWWPRDLSTLFERRGIQIDSANLCLLEMQVGESLSARNCVPRAIFFHYDGQGKWLPREAIAFGGPWQLFDHCGHYSTHYYRSSGSSMAHIKMIDRFGVVVHPICPPRFMQVYNSVLSSALWVDTAVSEGDGCQTKVASDYLSIYSEHTLYILSLIHGSR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.5	Very low	26.5	Very low	243 Å²	243	135.4 Å²	135.4	100%	1.197	78%	0.783	S	S	*	*				0	99.1	0	-165.1	169.6	-173.2	0	0	105.8
2	F	35.4	Very low	26.5	Very low	189 Å²	189	132.6 Å²	132.6	83%	0.829	79%	0.788	S	S	*	*			trans	-75.8	168.2	172.3	-63.3	-88.4	0	0	0	109.1
3	P	29.3	Very low	26.4	Very low	108 Å²	108	131.5 Å²	131.5	70%	0.701	79%	0.787	S	S	*	*				-119.9	143	70.5	-1	25	0	0	0	113.5
4	E	26.2	Very low	26.2	Very low	152 Å²	152	134.4 Å²	134.4	71%	0.71	80%	0.796	S	S	*	*				79.8	111.6	76.9	-65.5	167.3	179.9	0	0	112.1
5	D	26.1	Very low	26.1	Very low	141 Å²	141	130.7 Å²	130.7	75%	0.754	80%	0.797	S	S	*	*				82.3	133.2	99.2	-65.5	-29.2	0	0	0	112.2
6	T	28.8	Very low	26	Very low	128 Å²	128	127.6 Å²	127.6	79%	0.785	80%	0.799	S	S	*	*				-161.1	133.7	51.8	28.4	0	0	0	0	107.4
7	A	24.7	Very low	25.8	Very low	74 Å²	74	125.8 Å²	125.8	61%	0.612	80%	0.8	S	S	*	*				85.4	116.3	59.9	0	0	0	0	0	114.8
8	T	23.5	Very low	25.7	Very low	143 Å²	143	127.7 Å²	127.7	88%	0.877	80%	0.803	S	S	*	*			trans	67.2	158.8	155.6	68.1	0	0	0	0	117.3
9	S	23.2	Very low	25.6	Very low	98 Å²	98	128.8 Å²	128.8	69%	0.685	80%	0.803	S	S	*	*			cis	-157	155.8	13.8	-167.3	0	0	0	0	112.6
10	S	22.8	Very low	25.6	Very low	93 Å²	93	129.4 Å²	129.4	65%	0.65	80%	0.8	S	S	*	*			trans	33.9	119.1	144	62.8	0	0	0	0	121
11	C	23.2	Very low	25.6	Very low	120 Å²	120	130.1 Å²	130.1	81%	0.811	80%	0.804	S	S	*	*				175.3	125.2	100.4	-92.9	0	0	0	0	111.4
12	A	25.8	Very low	25.4	Very low	102 Å²	102	123.1 Å²	123.1	84%	0.843	77%	0.771	S	S	*	*			trans	-89.6	145.5	153.7	0	0	0	0	0	108.4
13	P	25.2	Very low	25	Very low	119 Å²	119	118.4 Å²	118.4	77%	0.773	76%	0.76	S	S	*	*			trans	-135.4	152	135.4	33.4	-20.5	0	0	0	113.1
14	D	24.5	Very low	24.8	Very low	172 Å²	172	119.3 Å²	119.3	92%	0.92	75%	0.753	S	S	*	*			trans	-60.9	149.4	175.9	-52.5	-83.4	0	0	0	113.2
15	G	24.9	Very low	24.9	Very low	79 Å²	79	116.6 Å²	116.6	81%	0.814	75%	0.749	S	S	*	*			trans	160.8	113.4	163.1	0	0	0	0	0	115.4
16	G	23.8	Very low	25	Very low	80 Å²	80	115.9 Å²	115.9	83%	0.825	74%	0.744	S	S	*	*			trans	93.4	106.3	160.5	0	0	0	0	0	114.7	D18	G16-D18 PolarHBondContact O-N 3.1Å
17	A	22	Very low	25	Very low	98 Å²	98	114.8 Å²	114.8	81%	0.81	73%	0.73	S	S	*	*			trans	-69.5	115.4	160.1	0	0	0	0	0	108.7
18	D	24.4	Very low	25.1	Very low	159 Å²	159	113 Å²	113	85%	0.85	72%	0.718	S	S	*	*			trans	-125.1	112	158	-118.6	-28	0	0	0	109.3	G16 N20	G16-D18 PolarHBondContact O-N 3.1Å; D18-N20 PolarHBondContact O-N 2.98Å
19	N	24	Very low	25.5	Very low	150 Å²	150	113.9 Å²	113.9	80%	0.802	71%	0.71	S	S	*	*			trans	-73.6	89.4	178.7	-66.9	-55.2	0	0	0	109
20	N	25.8	Very low	25.9	Very low	140 Å²	140	112.2 Å²	112.2	75%	0.749	70%	0.696	S	S	*	*			trans	-157.6	89.4	159.3	-95.1	-35	0	0	0	111.7	D18 D22	D18-N20 PolarHBondContact O-N 2.98Å; N20-D22 PolarHBondContact O-N 2.88Å
21	T	25	Very low	26.3	Very low	145 Å²	145	111.7 Å²	111.7	89%	0.89	69%	0.685	S	S	*	*			trans	-66.2	86.6	155.7	45.7	0	0	0	0	108.8	P23	T21-P23 WeakPolarHBondContact O-CD 3.48Å
22	D	25.7	Very low	26.6	Very low	95 Å²	95	113.7 Å²	113.7	51%	0.508	68%	0.68	S	S	.	*			trans	-105.3	89.5	-176.5	-156.6	57.2	0	0	0	111.2	N20 F24 P25	N20-D22 PolarHBondContact O-N 2.88Å; D22-F24 PolarHBondContact O-N 3.29Å; D22-F24 VanDerWaalsContact O-N 3.08Å; D22-F24 WeakPolarHBondContact OD1-CD2 3.29Å; D22-F24 WeakPolarHBondContact OD1-CE2 3.36Å; D22-P25 WeakPolarHBondContact O-CD 3.03Å
23	P	26.3	Very low	26.8	Very low	90 Å²	90	111 Å²	111	58%	0.584	66%	0.658	S	S	*	*			trans	-74.7	8.4	-177.4	31.9	-37.7	0	0	0	113.9	T21 P25 L26 H27	T21-P23 WeakPolarHBondContact O-CD 3.48Å; P23-P25 VanDerWaalsContact C-CD 3.43Å; P23-L26 WeakPolarHBondContact O-CB 3.45Å; P23-L26 PolarHBondContact O-N 3.12Å; P23-L26 VanDerWaalsContact O-N 3.15Å; P23-H27 PolarHBondContact O-N 3.07Å
24	F	25.1	Very low	26.9	Very low	128 Å²	128	107 Å²	107	56%	0.561	63%	0.629	S	S	*	*	H	α-helix	trans	-62.8	-30.2	-170.7	-77.6	-101.7	0	0	0	116.2	D22 L26 H27 G28	D22-F24 PolarHBondContact O-N 3.29Å; D22-F24 VanDerWaalsContact O-N 3.08Å; D22-F24 WeakPolarHBondContact OD1-CD2 3.29Å; D22-F24 WeakPolarHBondContact OD1-CE2 3.36Å; F24-L26 VanDerWaalsContact C-N 3.3Å; F24-L26 PolarHBondContact O-N 3.18Å; F24-H27 PolarHBondContact O-N 2.96Å; F24-G28 PolarHBondContact O-N 3.03Å
25	P	28.6	Very low	26.9	Very low	95 Å²	95	101.9 Å²	101.9	62%	0.617	61%	0.611	S	S	*	*	H	α-helix	trans	-66.4	-33.6	174.2	-20.8	32.9	0	0	0	112.5	D22 P23 K29	D22-P25 WeakPolarHBondContact O-CD 3.03Å; P23-P25 VanDerWaalsContact C-CD 3.43Å; P25-K29 PolarHBondContact O-N 2.87Å
26	L	27.9	Very low	26.9	Very low	126 Å²	126	101.7 Å²	101.7	66%	0.66	60%	0.597	S	S	*	*	H	α-helix	trans	-72.6	-43.2	173.2	-143.3	82.9	0	0	0	109.7	P23 F24 G28 K29 V30	P23-L26 WeakPolarHBondContact O-CB 3.45Å; P23-L26 PolarHBondContact O-N 3.12Å; P23-L26 VanDerWaalsContact O-N 3.15Å; F24-L26 VanDerWaalsContact C-N 3.3Å; F24-L26 PolarHBondContact O-N 3.18Å; L26-G28 VanDerWaalsContact C-N 3.31Å; L26-G28 PolarHBondContact O-N 3.35Å; L26-K29 PolarHBondContact O-N 2.7Å; L26-V30 HydrophobicContact CG-CG2 4.5Å; L26-V30 WeakPolarHBondContact O-CB 3.46Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 2.8Å
27	H	27.7	Very low	27	Very low	104 Å²	104	99.5 Å²	99.5	48%	0.481	57%	0.567	S	S	.	*	H	α-helix	trans	-57.5	-41	175.8	-167.1	53.7	0	0	0	112.3	P23 F24 I31	P23-H27 PolarHBondContact O-N 3.07Å; F24-H27 PolarHBondContact O-N 2.96Å; H27-I31 WeakPolarHBondContact NE2-CD1 3.4Å; H27-I31 VanDerWaalsContact O-CB 3.23Å; H27-I31 WeakPolarHBondContact O-CB 3.5Å; H27-I31 VanDerWaalsContact O-CG1 3.25Å; H27-I31 WeakPolarHBondContact O-CG1 3.35Å; H27-I31 PolarHBondContact O-N 2.56Å
28	G	27.8	Very low	27	Very low	36 Å²	36	101.8 Å²	101.8	37%	0.371	55%	0.554	S	S	.	*	H	α-helix	trans	-71.6	-34.3	176.6	0	0	0	0	0	114.9	F24 L26 K32	F24-G28 PolarHBondContact O-N 3.03Å; L26-G28 VanDerWaalsContact C-N 3.31Å; L26-G28 PolarHBondContact O-N 3.35Å; G28-K32 WeakPolarHBondContact O-CB 3.13Å; G28-K32 PolarHBondContact O-N 3.08Å
29	K	30.8	Very low	26.9	Very low	163 Å²	163	101.3 Å²	101.3	71%	0.709	55%	0.547	S	S	*	.	H	α-helix	trans	-75.6	-37.6	173.4	-78.6	-172.9	176.7	-174.8	0	112.3	P25 L26 K32 A33	P25-K29 PolarHBondContact O-N 2.87Å; L26-K29 PolarHBondContact O-N 2.7Å; K29-K32 PolarHBondContact O-N 3.36Å; K29-A33 WeakPolarHBondContact O-CB 3.34Å; K29-A33 PolarHBondContact O-N 3.33Å
30	V	31.5	Very low	26.9	Very low	63 Å²	63	99.6 Å²	99.6	38%	0.382	54%	0.544	S	S	.	.	H	α-helix	trans	-60	-61.6	168.6	169.3	0	0	0	0	107.3	L26 K32 A33 L34	L26-V30 HydrophobicContact CG-CG2 4.5Å; L26-V30 WeakPolarHBondContact O-CB 3.46Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 2.8Å; V30-K32 PolarHBondContact O-N 2.82Å; V30-A33 CarbonylContact O-C 3.56Å; V30-A33 PolarHBondContact O-N 3.2Å; V30-L34 HydrophobicContact CG1-CD1 3.46Å; V30-L34 VanDerWaalsContact CG1-CD1 3.46Å; V30-L34 HydrophobicContact CG1-CD2 4.36Å; V30-L34 HydrophobicContact CG1-CG 3.74Å; V30-L34 WeakPolarHBondContact O-CA 3.48Å; V30-L34 WeakPolarHBondContact O-CB 3.37Å; V30-L34 WeakPolarHBondContact O-CG 3.35Å; V30-L34 PolarHBondContact O-N 3.39Å
31	I	31.5	Very low	26.8	Very low	82 Å²	82	102.1 Å²	102.1	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-49.4	-34.1	175.1	-74.1	173	0	0	0	114	H27 L34 A35	H27-I31 WeakPolarHBondContact NE2-CD1 3.4Å; H27-I31 VanDerWaalsContact O-CB 3.23Å; H27-I31 WeakPolarHBondContact O-CB 3.5Å; H27-I31 VanDerWaalsContact O-CG1 3.25Å; H27-I31 WeakPolarHBondContact O-CG1 3.35Å; H27-I31 PolarHBondContact O-N 2.56Å; I31-L34 CarbonylContact O-C 3.55Å; I31-A35 VanDerWaalsContact O-CB 3.26Å; I31-A35 WeakPolarHBondContact O-CB 3.31Å; I31-A35 PolarHBondContact O-N 3.35Å
32	K	30.7	Very low	26.7	Very low	162 Å²	162	97.3 Å²	97.3	70%	0.704	52%	0.522	S	S	*	.	H	α-helix	trans	-76.6	-44.8	175.7	-93	-175.6	173.6	179.1	0	114.7	G28 K29 V30 A35 S36	G28-K32 WeakPolarHBondContact O-CB 3.13Å; G28-K32 PolarHBondContact O-N 3.08Å; K29-K32 PolarHBondContact O-N 3.36Å; V30-K32 PolarHBondContact O-N 2.82Å; K32-A35 PolarHBondContact O-N 2.92Å; K32-S36 PolarHBondContact O-N 2.94Å; K32-S36 VanDerWaalsContact O-N 3.08Å
33	A	28.8	Very low	26.6	Very low	46 Å²	46	98 Å²	98	38%	0.38	53%	0.53	S	S	.	.	H	α-helix	trans	-55.1	-54.8	168.2	0	0	0	0	0	106.3	K29 V30 A35 S36 L37	K29-A33 WeakPolarHBondContact O-CB 3.34Å; K29-A33 PolarHBondContact O-N 3.33Å; V30-A33 CarbonylContact O-C 3.56Å; V30-A33 PolarHBondContact O-N 3.2Å; A33-A35 PolarHBondContact O-N 2.92Å; A33-A35 VanDerWaalsContact O-N 3.1Å; A33-S36 PolarHBondContact O-N 2.89Å; A33-S36 PolarHBondContact O-OG 2.83Å; A33-L37 VanDerWaalsContact C-CG 3.45Å; A33-L37 HydrophobicContact CB-CD1 3.8Å; A33-L37 WeakPolarHBondContact O-CB 3.35Å; A33-L37 VanDerWaalsContact O-CD1 3.3Å; A33-L37 WeakPolarHBondContact O-CD1 3.5Å; A33-L37 WeakPolarHBondContact O-CG 3.29Å; A33-L37 PolarHBondContact O-N 3.41Å
34	L	28.3	Very low	26.3	Very low	33 Å²	33	97.4 Å²	97.4	17%	0.173	52%	0.52	C	S	.	.	H	α-helix	trans	-48	-41.5	176.2	-70.9	-171.3	0	0	0	112.1	V30 I31 L37 W38 S694 P695	V30-L34 HydrophobicContact CG1-CD1 3.46Å; V30-L34 VanDerWaalsContact CG1-CD1 3.46Å; V30-L34 HydrophobicContact CG1-CD2 4.36Å; V30-L34 HydrophobicContact CG1-CG 3.74Å; V30-L34 WeakPolarHBondContact O-CA 3.48Å; V30-L34 WeakPolarHBondContact O-CB 3.37Å; V30-L34 WeakPolarHBondContact O-CG 3.35Å; V30-L34 PolarHBondContact O-N 3.39Å; I31-L34 CarbonylContact O-C 3.55Å; L34-L37 HydrophobicContact CD2-CD1 4.02Å; L34-L37 CarbonylContact O-C 3.29Å; L34-L37 VanDerWaalsContact O-C 3.29Å; L34-L37 VanDerWaalsContact O-CA 3.31Å; L34-L37 WeakPolarHBondContact O-CA 3.31Å; L34-L37 VanDerWaalsContact O-CB 3.24Å; L34-L37 WeakPolarHBondContact O-CB 3.44Å; L34-L37 PolarHBondContact O-N 2.83Å; L34-W38 PolarHBondContact O-N 3.37Å; L34-S694 WeakPolarHBondContact CD2-O 3.46Å; L34-P695 VanDerWaalsContact CA-CB 3.5Å; L34-P695 HydrophobicContact CB-CB 3.21Å; L34-P695 HydrophobicContact CB-CG 4.12Å; L34-P695 HydrophobicContact CD1-CB 3.96Å; L34-P695 HydrophobicContact CD2-CB 3.29Å; L34-P695 HydrophobicContact CG-CB 3.56Å; L34-P695 WeakPolarHBondContact O-CB 3.41Å; L34-P695 WeakPolarHBondContact O-CD 3.47Å; L34-P695 WeakPolarHBondContact O-CG 3.32Å
35	A	24.8	Very low	26.2	Very low	66 Å²	66	92.9 Å²	92.9	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-75.5	-31.6	177.2	0	0	0	0	0	115.5	I31 K32 A33 L37	I31-A35 VanDerWaalsContact O-CB 3.26Å; I31-A35 WeakPolarHBondContact O-CB 3.31Å; I31-A35 PolarHBondContact O-N 3.35Å; K32-A35 PolarHBondContact O-N 2.92Å; A33-A35 PolarHBondContact O-N 2.92Å; A33-A35 VanDerWaalsContact O-N 3.1Å; A35-L37 PolarHBondContact O-N 2.82Å
36	S	25	Very low	25.9	Very low	75 Å²	75	91.3 Å²	91.3	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-30.7	167.3	73	0	0	0	0	110.9	K32 A33 W38 D693	K32-S36 PolarHBondContact O-N 2.94Å; K32-S36 VanDerWaalsContact O-N 3.08Å; A33-S36 PolarHBondContact O-N 2.89Å; A33-S36 PolarHBondContact O-OG 2.83Å; S36-W38 VanDerWaalsContact C-N 3.26Å; S36-W38 PolarHBondContact O-N 3.19Å; S36-D693 PolarHBondContact OG-OD2 3.16Å
37	L	24.9	Very low	25.7	Very low	34 Å²	34	89.8 Å²	89.8	18%	0.178	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	9.1	179.7	-74.2	170.2	0	0	0	113.9	A33 L34 A35 D693 S694 P695	A33-L37 VanDerWaalsContact C-CG 3.45Å; A33-L37 HydrophobicContact CB-CD1 3.8Å; A33-L37 WeakPolarHBondContact O-CB 3.35Å; A33-L37 VanDerWaalsContact O-CD1 3.3Å; A33-L37 WeakPolarHBondContact O-CD1 3.5Å; A33-L37 WeakPolarHBondContact O-CG 3.29Å; A33-L37 PolarHBondContact O-N 3.41Å; L34-L37 HydrophobicContact CD2-CD1 4.02Å; L34-L37 CarbonylContact O-C 3.29Å; L34-L37 VanDerWaalsContact O-C 3.29Å; L34-L37 VanDerWaalsContact O-CA 3.31Å; L34-L37 WeakPolarHBondContact O-CA 3.31Å; L34-L37 VanDerWaalsContact O-CB 3.24Å; L34-L37 WeakPolarHBondContact O-CB 3.44Å; L34-L37 PolarHBondContact O-N 2.83Å; A35-L37 PolarHBondContact O-N 2.82Å; L37-D693 CarbonylContact C-O 3.47Å; L37-D693 VanDerWaalsContact CB-C 3.43Å; L37-D693 HydrophobicContact CB-CB 3.52Å; L37-D693 HydrophobicContact CD2-CB 3.29Å; L37-D693 HydrophobicContact CG-CB 3.44Å; L37-D693 VanDerWaalsContact CG-CB 3.44Å; L37-D693 CarbonylContact O-C 3.51Å; L37-S694 VanDerWaalsContact CA-N 3.29Å; L37-S694 WeakPolarHBondContact CB-O 3.5Å; L37-S694 WeakPolarHBondContact CD1-O 3.28Å; L37-S694 VanDerWaalsContact CG-N 3.32Å; L37-S694 CarbonylContact O-C 3.57Å; L37-S694 VanDerWaalsContact O-C 3.24Å; L37-S694 WeakPolarHBondContact O-CA 3.27Å; L37-S694 PolarHBondContact O-N 3.42Å; L37-P695 WeakPolarHBondContact O-CD 2.92Å
38	W	23.3	Very low	25.5	Very low	145 Å²	145	87.8 Å²	87.8	55%	0.549	48%	0.483	S	S	.	.			trans	-137.4	82.3	176.3	-131.5	31.5	0	0	0	114.8	L34 S36 P695 D696	L34-W38 PolarHBondContact O-N 3.37Å; S36-W38 VanDerWaalsContact C-N 3.26Å; S36-W38 PolarHBondContact O-N 3.19Å; W38-P695 HydrophobicContact CB-CG 3.74Å; W38-P695 HydrophobicContact CD2-CG 3.92Å; W38-P695 VanDerWaalsContact CG-CD 3.47Å; W38-P695 HydrophobicContact CG-CG 3.58Å; W38-D696 HydrophobicContact CZ2-CB 4.38Å
39	Q	21.8	Very low	25.3	Very low	150 Å²	150	91.1 Å²	91.1	70%	0.701	49%	0.491	S	S	*	.			trans	-146.8	106.2	163.1	-71.2	-164.7	19.4	0	0	114.4
40	P	24	Very low	25	Very low	113 Å²	113	87.4 Å²	87.4	73%	0.734	49%	0.49	S	S	*	.				-82.3	115.4	129.2	30.4	-22	0	0	0	108.3	G42	P40-G42 VanDerWaalsContact C-N 3.34Å; P40-G42 PolarHBondContact O-N 3.03Å
41	R	22.3	Very low	24.6	Very low	193 Å²	193	93.5 Å²	93.5	73%	0.728	52%	0.515	S	S	*	.	S	Bend	trans	-64.9	95.9	163.1	-81.6	-176.4	169.5	-170.8	-3.5	107.8	T388	R41-T388 HydrophobicContact CB-CG2 4.08Å; R41-T388 VanDerWaalsContact O-CB 3.32Å; R41-T388 WeakPolarHBondContact O-CB 3.47Å
42	G	23.1	Very low	24.2	Very low	44 Å²	44	92 Å²	92	45%	0.454	51%	0.511	S	S	.	.	S	Bend	trans	153.3	69.3	-178.5	0	0	0	0	0	114.8	P40	P40-G42 VanDerWaalsContact C-N 3.34Å; P40-G42 PolarHBondContact O-N 3.03Å
43	T	23.5	Very low	23.8	Very low	111 Å²	111	90.2 Å²	90.2	68%	0.681	51%	0.507	S	S	*	.			trans	-29	153.3	162	42.7	0	0	0	0	116.9
44	M	21.7	Very low	23.5	Very low	76 Å²	76	92.8 Å²	92.8	37%	0.374	51%	0.514	S	S	.	.			cis	-139.1	163.6	31.9	-106.6	-130.9	-154.8	0	0	115.5	S150 T327	M44-S150 VanDerWaalsContact CE-CB 3.46Å; M44-S150 VanDerWaalsContact CE-OG 3.31Å; M44-S150 WeakPolarHBondContact CE-OG 3.47Å; M44-S150 PolarHBondContact SD-OG 3.3Å; M44-T327 HydrophobicContact CB-CG2 4.08Å; M44-T327 HydrophobicContact CE-CG2 4.27Å; M44-T327 WeakPolarHBondContact CE-OG1 3.46Å; M44-T327 HydrophobicContact CG-CG2 4.12Å; M44-T327 WeakPolarHBondContact CG-OG1 3.49Å; M44-T327 HydrophobicContact SD-CG2 3.75Å
45	P	22	Very low	23.2	Very low	34 Å²	34	96.1 Å²	96.1	22%	0.221	54%	0.536	C	S	.	.			trans	-130.4	148.5	-154.7	26.8	-3.9	0	0	0	116	R151	P45-R151 HydrophobicContact CB-CG 4.37Å; P45-R151 HydrophobicContact CG-CG 3.74Å
46	L	23.4	Very low	23	Very low	61 Å²	61	98.1 Å²	98.1	32%	0.319	54%	0.536	S	S	.	.			trans	-142.7	116.5	167.5	-67.9	176.4	0	0	0	112.1	R151 L154 N155 I158	L46-R151 WeakPolarHBondContact CD2-O 3.46Å; L46-L154 HydrophobicContact CD1-CD2 3.92Å; L46-L154 HydrophobicContact CD1-CG 3.94Å; L46-L154 HydrophobicContact CD2-CB 3.75Å; L46-L154 HydrophobicContact CD2-CD2 3.78Å; L46-L154 HydrophobicContact CD2-CG 3.78Å; L46-L154 HydrophobicContact CG-CD2 3.82Å; L46-L154 HydrophobicContact CG-CG 4.16Å; L46-N155 HydrophobicContact CD2-CB 4.16Å; L46-N155 WeakPolarHBondContact CD2-OD1 3.5Å; L46-I158 HydrophobicContact CD1-CD1 3.43Å; L46-I158 VanDerWaalsContact CD1-CD1 3.43Å
47	T	22.5	Very low	22.9	Very low	95 Å²	95	96.1 Å²	96.1	58%	0.583	52%	0.523	S	S	*	.			trans	-103.6	111.1	162	-15.9	0	0	0	0	106.5	N155	T47-N155 PolarHBondContact O-ND2 3.17Å
48	P	23.1	Very low	22.8	Very low	62 Å²	62	100.8 Å²	100.8	40%	0.403	54%	0.543	S	S	.	.			trans	-67.6	136.5	167.6	-17.3	32.6	0	0	0	108.8	M53	P48-M53 HydrophobicContact CB-CE 4.25Å; P48-M53 HydrophobicContact CB-CG 4.39Å; P48-M53 HydrophobicContact CG-CE 4.12Å
49	I	24.2	Very low	22.8	Very low	105 Å²	105	95.7 Å²	95.7	54%	0.538	53%	0.528	S	S	.	.			trans	-74	141.5	176.3	-54.8	173	0	0	0	107.3	E51 S52	I49-E51 HydrophobicContact CG2-CB 4.48Å; I49-E51 PolarHBondContact O-N 3.47Å; I49-S52 PolarHBondContact O-N 3.25Å; I49-S52 PolarHBondContact O-OG 3.16Å
50	A	24.4	Very low	22.8	Very low	85 Å²	85	92.8 Å²	92.8	70%	0.702	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-59.9	-19.5	-175.6	0	0	0	0	0	114.1
51	E	22.4	Very low	22.8	Very low	192 Å²	192	96.8 Å²	96.8	90%	0.897	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-84	-5.5	176.2	-60.8	178.5	163.3	0	0	113.7	I49	I49-E51 HydrophobicContact CG2-CB 4.48Å; I49-E51 PolarHBondContact O-N 3.47Å
52	S	23.3	Very low	22.8	Very low	49 Å²	49	96.3 Å²	96.3	34%	0.343	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-117.7	13.6	-178.4	60.9	0	0	0	0	114.8	I49	I49-S52 PolarHBondContact O-N 3.25Å; I49-S52 PolarHBondContact O-OG 3.16Å
53	M	22.6	Very low	22.8	Very low	126 Å²	126	99.2 Å²	99.2	62%	0.621	55%	0.548	S	S	*	.	S	Bend	trans	-100.2	121.3	165.6	-83.3	-177.3	154	0	0	110.6	P48 T55	P48-M53 HydrophobicContact CB-CE 4.25Å; P48-M53 HydrophobicContact CB-CG 4.39Å; P48-M53 HydrophobicContact CG-CE 4.12Å; M53-T55 PolarHBondContact O-N 2.72Å
54	L	22.3	Very low	22.7	Very low	100 Å²	100	100.2 Å²	100.2	52%	0.524	55%	0.554	S	S	.	*			trans	-59.5	126.9	167.9	-91.8	156.4	0	0	0	109.9	L56	L54-L56 PolarHBondContact O-N 2.85Å
55	T	22.1	Very low	22.8	Very low	102 Å²	102	100.8 Å²	100.8	63%	0.626	57%	0.57	S	S	*	*			trans	-70.3	93.9	171.2	30.1	0	0	0	0	109.9	M53 S57	M53-T55 PolarHBondContact O-N 2.72Å; T55-S57 VanDerWaalsContact C-N 3.26Å; T55-S57 PolarHBondContact O-N 2.75Å
56	L	21.5	Very low	22.9	Very low	108 Å²	108	108.1 Å²	108.1	57%	0.565	60%	0.602	S	S	*	*			trans	-72.3	82.9	165.6	-74.3	165.7	0	0	0	109.1	L54 A108	L54-L56 PolarHBondContact O-N 2.85Å; L56-A108 HydrophobicContact CD2-CB 3.94Å
57	S	22.8	Very low	23	Very low	34 Å²	34	112.8 Å²	112.8	24%	0.238	63%	0.627	C	S	.	*			trans	-89.8	127.8	166.2	53.8	0	0	0	0	109.8	T55 T59	T55-S57 VanDerWaalsContact C-N 3.26Å; T55-S57 PolarHBondContact O-N 2.75Å; S57-T59 PolarHBondContact O-N 3.29Å
58	E	22.1	Very low	23	Very low	131 Å²	131	111.9 Å²	111.9	61%	0.612	64%	0.636	S	S	*	*			trans	-67.1	93.6	172.7	-70.2	-171.5	115.6	0	0	110.9	T106	E58-T106 PolarHBondContact OE1-OG1 2.83Å
59	T	23.4	Very low	23.1	Very low	38 Å²	38	115 Å²	115	23%	0.233	65%	0.65	C	S	.	*			trans	-127.7	99.6	169.9	50.2	0	0	0	0	110.7	S57 Y61	S57-T59 PolarHBondContact O-N 3.29Å; T59-Y61 PolarHBondContact O-N 3.39Å; T59-Y61 VanDerWaalsContact O-N 3.07Å
60	A	22.9	Very low	23	Very low	90 Å²	90	113.7 Å²	113.7	74%	0.744	66%	0.662	S	S	*	*			trans	-76.6	85.9	172.3	0	0	0	0	0	110.6	Q62	A60-Q62 PolarHBondContact O-N 3.44Å
61	Y	22.3	Very low	22.9	Very low	196 Å²	196	118.5 Å²	118.5	77%	0.769	67%	0.667	S	S	*	*			trans	-79	103.3	174.4	-115	-90.5	0	0	0	110.6	T59 T63	T59-Y61 PolarHBondContact O-N 3.39Å; T59-Y61 VanDerWaalsContact O-N 3.07Å; Y61-T63 HydrophobicContact CD1-CG2 4.18Å; Y61-T63 PolarHBondContact O-N 2.93Å
62	Q	22.6	Very low	22.9	Very low	183 Å²	183	119.7 Å²	119.7	86%	0.855	66%	0.664	S	S	*	*			trans	-75.7	103	165.5	-82.4	-172	-15.4	0	0	109.9	A60	A60-Q62 PolarHBondContact O-N 3.44Å
63	T	23.6	Very low	22.8	Very low	106 Å²	106	124 Å²	124	65%	0.65	68%	0.684	S	S	*	*			trans	-109	109.9	166.1	46.5	0	0	0	0	110.9	Y61	Y61-T63 HydrophobicContact CD1-CG2 4.18Å; Y61-T63 PolarHBondContact O-N 2.93Å
64	T	22.3	Very low	22.8	Very low	132 Å²	132	124 Å²	124	81%	0.81	69%	0.685	S	S	*	*			trans	53.7	104	148.4	59	0	0	0	0	119.7
65	A	23.9	Very low	22.8	Very low	88 Å²	88	131 Å²	131	73%	0.727	71%	0.705	S	S	*	*			trans	-174.4	97.7	138.1	0	0	0	0	0	107.7
66	E	22.7	Very low	22.8	Very low	187 Å²	187	131.9 Å²	131.9	87%	0.874	70%	0.701	S	S	*	*				50.1	64.3	75.4	-61.7	-166.2	169.1	0	0	114
67	N	26.2	Very low	22.9	Very low	160 Å²	160	131.9 Å²	131.9	86%	0.856	71%	0.711	S	S	*	*			trans	-168.4	108.8	153.9	-83.7	-44.6	0	0	0	104.9
68	G	23	Very low	22.9	Very low	75 Å²	75	137.9 Å²	137.9	77%	0.773	73%	0.729	S	S	*	*			cis	137.2	-28.8	36.8	0	0	0	0	0	109.3
69	D	24	Very low	22.9	Very low	129 Å²	129	135.6 Å²	135.6	69%	0.69	73%	0.728	S	S	*	*			trans	-120.8	-1.7	-158	-70.4	38.5	0	0	0	115.3	K71	D69-K71 PolarHBondContact O-N 3.43Å
70	G	21.7	Very low	23	Very low	76 Å²	76	136.1 Å²	136.1	78%	0.784	73%	0.731	S	S	*	*	S	Bend	trans	60.6	13.2	166	0	0	0	0	0	118.1
71	K	22.4	Very low	23.1	Very low	186 Å²	186	135.5 Å²	135.5	81%	0.809	72%	0.715	S	S	*	*			trans	-115.4	5.7	-172.6	-78.4	-178.4	177.5	178.1	0	116	D69	D69-K71 PolarHBondContact O-N 3.43Å
72	Y	22.5	Very low	23.3	Very low	217 Å²	217	127 Å²	127	85%	0.851	68%	0.684	S	S	*	*			trans	-111.2	77.5	-179.6	-68.6	-77.5	0	0	0	111.2
73	N	21.2	Very low	23.4	Very low	140 Å²	140	122.3 Å²	122.3	75%	0.749	66%	0.661	S	S	*	*			trans	-98.9	134.1	173.8	-76.1	-16.9	0	0	0	110.6
74	I	23.8	Very low	23.5	Very low	127 Å²	127	117.5 Å²	117.5	65%	0.651	63%	0.631	S	S	*	*			trans	80.1	106.6	166.9	-46.8	159	0	0	0	115.7	Q76	I74-Q76 HydrophobicContact CG2-CB 4.43Å; I74-Q76 HydrophobicContact CG2-CG 3.77Å; I74-Q76 PolarHBondContact O-N 2.92Å
75	W	21.6	Very low	23.7	Very low	247 Å²	247	117.1 Å²	117.1	94%	0.936	62%	0.615	S	S	*	*			trans	-68	102.8	152.9	-89.4	33	0	0	0	108.8
76	Q	22.6	Very low	23.8	Very low	119 Å²	119	114.7 Å²	114.7	56%	0.556	59%	0.588	S	S	*	*			trans	-96.5	139.4	171.3	-103.6	162.6	4.3	0	0	110.5	I74 Y78	I74-Q76 HydrophobicContact CG2-CB 4.43Å; I74-Q76 HydrophobicContact CG2-CG 3.77Å; I74-Q76 PolarHBondContact O-N 2.92Å; Q76-Y78 HydrophobicContact CB-CE2 4.24Å; Q76-Y78 WeakPolarHBondContact O-CD2 3.28Å; Q76-Y78 PolarHBondContact O-N 3.25Å
77	S	22.3	Very low	24.1	Very low	109 Å²	109	109.7 Å²	109.7	76%	0.762	56%	0.562	S	S	*	*			trans	-67.8	91.4	172.2	47.8	0	0	0	0	110.5	S79	S77-S79 PolarHBondContact O-N 3.25Å; S77-S79 VanDerWaalsContact O-N 3.14Å
78	Y	23.2	Very low	24	Very low	159 Å²	159	104.1 Å²	104.1	62%	0.624	54%	0.535	S	S	*	.			trans	-76.5	98.5	178.1	-71.2	-75.3	0	0	0	111.9	Q76 T80	Q76-Y78 HydrophobicContact CB-CE2 4.24Å; Q76-Y78 WeakPolarHBondContact O-CD2 3.28Å; Q76-Y78 PolarHBondContact O-N 3.25Å; Y78-T80 VanDerWaalsContact C-N 3.3Å; Y78-T80 PolarHBondContact O-N 3.45Å; Y78-T80 PolarHBondContact O-OG1 3.37Å
79	S	23.2	Very low	24.4	Very low	83 Å²	83	106.3 Å²	106.3	58%	0.58	52%	0.523	S	S	*	.			trans	-57.1	90.1	161.8	-56.3	0	0	0	0	110	S77 L81	S77-S79 PolarHBondContact O-N 3.25Å; S77-S79 VanDerWaalsContact O-N 3.14Å; S79-L81 PolarHBondContact O-N 3.46Å; S79-L81 VanDerWaalsContact O-N 3.13Å
80	T	25	Very low	24.5	Very low	49 Å²	49	102.2 Å²	102.2	30%	0.301	51%	0.512	S	S	.	.			trans	-81.7	95.7	179.6	5.8	0	0	0	0	109.6	Y78 S82 R102	Y78-T80 VanDerWaalsContact C-N 3.3Å; Y78-T80 PolarHBondContact O-N 3.45Å; Y78-T80 PolarHBondContact O-OG1 3.37Å; T80-S82 PolarHBondContact O-N 2.83Å; T80-S82 PolarHBondContact O-OG 3.14Å; T80-R102 WeakPolarHBondContact OG1-CD 3.48Å; T80-R102 PolarHBondContact OG1-NH1 2.68Å
81	L	24.2	Very low	24.6	Very low	78 Å²	78	101.6 Å²	101.6	41%	0.408	50%	0.499	S	S	.	.			trans	-56	122	170.2	-69.4	169.3	0	0	0	109.7	S79 Y99	S79-L81 PolarHBondContact O-N 3.46Å; S79-L81 VanDerWaalsContact O-N 3.13Å; L81-Y99 HydrophobicContact CD2-CD1 4.44Å; L81-Y99 HydrophobicContact CD2-CE1 3.48Å; L81-Y99 VanDerWaalsContact CD2-CE1 3.48Å; L81-Y99 WeakPolarHBondContact CD2-OH 3.32Å
82	S	26.3	Very low	24.8	Very low	18 Å²	18	96.7 Å²	96.7	13%	0.126	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.5	174.3	-48.8	0	0	0	0	109.2	T80 T100	T80-S82 PolarHBondContact O-N 2.83Å; T80-S82 PolarHBondContact O-OG 3.14Å; S82-T100 WeakPolarHBondContact CB-OG1 3.3Å; S82-T100 PolarHBondContact N-O 3.04Å; S82-T100 PolarHBondContact O-OG1 2.91Å
83	F	25.5	Very low	24.9	Very low	83 Å²	83	88.6 Å²	88.6	36%	0.364	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116	176.6	-67	-84.9	0	0	0	109.8	Y99 L306	F83-Y99 HydrophobicContact CE1-CE2 4.26Å; F83-L306 HydrophobicContact CD2-CD1 4.19Å; F83-L306 HydrophobicContact CE2-CD1 3.85Å
84	L	25.6	Very low	25.1	Very low	6 Å²	6	89 Å²	89	3%	0.031	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116	174.8	-89	162.4	0	0	0	109.6	W96 I98 T100 Q183 L301	L84-W96 VanDerWaalsContact O-O 3.14Å; L84-I98 HydrophobicContact CB-CB 3.84Å; L84-I98 HydrophobicContact CD1-CB 4.48Å; L84-I98 HydrophobicContact CD1-CG2 4.35Å; L84-I98 PolarHBondContact N-O 2.95Å; L84-I98 PolarHBondContact O-N 3.15Å; L84-I98 VanDerWaalsContact O-N 3.12Å; L84-T100 HydrophobicContact CD1-CG2 3.75Å; L84-Q183 VanDerWaalsContact CD2-O 3.32Å; L84-Q183 WeakPolarHBondContact CD2-O 3.25Å; L84-L301 HydrophobicContact CD2-CD2 3.57Å
85	R	27	Very low	25.2	Very low	124 Å²	124	87.1 Å²	87.1	47%	0.468	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	98.7	174.9	-164.5	177.3	-167.9	-175.4	3	108.9	E95 D302	R85-E95 IonicContact CZ-OE1 2.71Å; R85-E95 IonicContact NE-OE1 3.99Å; R85-E95 PolarHBondContact NE-OE1 2.93Å; R85-E95 IonicContact NH2-OE1 2.71Å; R85-E95 PolarHBondContact NH2-OE1 3.22Å; R85-E95 IonicContact NH2-OE2 3.3Å; R85-D302 PolarHBondContact N-O 3.49Å; R85-D302 PolarHBondContact O-N 3.43Å
86	F	26	Very low	25.3	Very low	37 Å²	37	81.8 Å²	81.8	16%	0.162	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	129.1	176.4	-172.9	-90.6	0	0	0	110.3	C88 W96 F207 L301	F86-C88 HydrophobicContact CE1-CB 3.72Å; F86-C88 HydrophobicContact CZ-CB 4.3Å; F86-W96 HydrophobicContact CB-CB 4.07Å; F86-W96 AromaticContact CD1-CD1 3.96Å; F86-W96 PolarHBondContact N-O 2.77Å; F86-F207 HydrophobicContact CE2-CZ 4.32Å; F86-L301 HydrophobicContact CD2-CD1 3.75Å; F86-L301 HydrophobicContact CD2-CG 4.5Å; F86-L301 HydrophobicContact CE2-CD1 4.35Å
87	Y	28.1	Very low	25.4	Very low	81 Å²	81	82.6 Å²	82.6	32%	0.318	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	111.6	179	-172	-109.5	0	0	0	111.9	K89 R300	Y87-K89 HydrophobicContact CE1-CB 4.38Å; Y87-K89 HydrophobicContact CE1-CD 3.8Å; Y87-K89 HydrophobicContact CE1-CG 3.69Å; Y87-K89 WeakPolarHBondContact OH-CE 3.16Å; Y87-R300 PolarHBondContact O-N 2.82Å
88	C	25.4	Very low	25.6	Very low	44 Å²	44	81.2 Å²	81.2	30%	0.297	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.5	179	-168	0	0	0	0	110.7	F86	F86-C88 HydrophobicContact CE1-CB 3.72Å; F86-C88 HydrophobicContact CZ-CB 4.3Å
89	K	30.1	Very low	25.6	Very low	121 Å²	121	80.8 Å²	80.8	53%	0.526	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	113.1	-174.6	-121.6	175.7	-174.2	174.4	0	112.1	Y87	Y87-K89 HydrophobicContact CE1-CB 4.38Å; Y87-K89 HydrophobicContact CE1-CD 3.8Å; Y87-K89 HydrophobicContact CE1-CG 3.69Å; Y87-K89 WeakPolarHBondContact OH-CE 3.16Å
90	G	27.1	Very low	25.7	Very low	43 Å²	43	78.9 Å²	78.9	44%	0.443	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	122.4	13.5	164.8	0	0	0	0	0	117.5	M560	G90-M560 CarbonylContact C-O 3.55Å
91	A	23.3	Very low	25.6	Very low	62 Å²	62	81 Å²	81	51%	0.512	40%	0.399	S	S	.	.	S	Bend	trans	-155.3	114.4	162.7	0	0	0	0	0	110.1	D93	A91-D93 PolarHBondContact O-N 3.34Å
92	D	25.9	Very low	25.6	Very low	83 Å²	83	80 Å²	80	44%	0.444	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	6.9	172.5	-59.5	-77.4	0	0	0	118	W94 Y556 M560	D92-W94 VanDerWaalsContact C-N 3.3Å; D92-W94 PolarHBondContact O-N 2.6Å; D92-W94 VanDerWaalsContact O-N 3.09Å; D92-Y556 PolarHBondContact OD1-OH 2.91Å; D92-M560 WeakPolarHBondContact CA-SD 3.12Å; D92-M560 HydrophobicContact CB-CE 4.23Å; D92-M560 HydrophobicContact CB-SD 4.13Å; D92-M560 VanDerWaalsContact CG-CE 3.48Å; D92-M560 VanDerWaalsContact OD1-CE 3.24Å; D92-M560 WeakPolarHBondContact OD1-CE 3.21Å
93	D	25.7	Very low	25.4	Very low	47 Å²	47	85.6 Å²	85.6	25%	0.251	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.5	49.2	172	-101.8	36.6	0	0	0	114.9	A91 E95	A91-D93 PolarHBondContact O-N 3.34Å; D93-E95 PolarHBondContact O-N 3.28Å
94	W	25.3	Very low	25.3	Very low	149 Å²	149	86.9 Å²	86.9	56%	0.564	43%	0.428	S	S	*	.			trans	-76.8	108.1	178.6	-66.3	62.4	0	0	0	111.4	D92 W96	D92-W94 VanDerWaalsContact C-N 3.3Å; D92-W94 PolarHBondContact O-N 2.6Å; D92-W94 VanDerWaalsContact O-N 3.09Å; W94-W96 HydrophobicContact CD2-CZ2 4.23Å; W94-W96 AromaticContact CE3-CE2 3.63Å; W94-W96 AromaticContact CE3-CH2 3.99Å; W94-W96 HydrophobicContact CE3-CH2 3.99Å; W94-W96 AromaticContact CE3-CZ2 3.23Å; W94-W96 HydrophobicContact CE3-CZ2 3.23Å; W94-W96 AromaticContact CE3-NE1 3.84Å; W94-W96 AromaticContact CZ3-CH2 3.86Å; W94-W96 HydrophobicContact CZ3-CH2 3.86Å; W94-W96 AromaticContact CZ3-CZ2 3.5Å; W94-W96 HydrophobicContact CZ3-CZ2 3.5Å
95	E	24.9	Very low	25.3	Very low	88 Å²	88	89.6 Å²	89.6	41%	0.411	46%	0.457	S	S	.	.			trans	-83.3	114.4	164.7	-179.9	167.1	-137.9	0	0	110.2	R85 D93	R85-E95 IonicContact CZ-OE1 2.71Å; R85-E95 IonicContact NE-OE1 3.99Å; R85-E95 PolarHBondContact NE-OE1 2.93Å; R85-E95 IonicContact NH2-OE1 2.71Å; R85-E95 PolarHBondContact NH2-OE1 3.22Å; R85-E95 IonicContact NH2-OE2 3.3Å; D93-E95 PolarHBondContact O-N 3.28Å
96	W	25.1	Very low	25	Very low	135 Å²	135	88.2 Å²	88.2	51%	0.511	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.6	173.3	-60.9	81.5	0	0	0	110.5	L84 F86 W94 I98	L84-W96 VanDerWaalsContact O-O 3.14Å; F86-W96 HydrophobicContact CB-CB 4.07Å; F86-W96 AromaticContact CD1-CD1 3.96Å; F86-W96 PolarHBondContact N-O 2.77Å; W94-W96 HydrophobicContact CD2-CZ2 4.23Å; W94-W96 AromaticContact CE3-CE2 3.63Å; W94-W96 AromaticContact CE3-CH2 3.99Å; W94-W96 HydrophobicContact CE3-CH2 3.99Å; W94-W96 AromaticContact CE3-CZ2 3.23Å; W94-W96 HydrophobicContact CE3-CZ2 3.23Å; W94-W96 AromaticContact CE3-NE1 3.84Å; W94-W96 AromaticContact CZ3-CH2 3.86Å; W94-W96 HydrophobicContact CZ3-CH2 3.86Å; W94-W96 AromaticContact CZ3-CZ2 3.5Å; W94-W96 HydrophobicContact CZ3-CZ2 3.5Å; W96-I98 HydrophobicContact CB-CG1 4.19Å; W96-I98 PolarHBondContact O-N 3.37Å
97	L	23.9	Very low	24.9	Very low	136 Å²	136	93 Å²	93	71%	0.712	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	95.5	163.5	-81.6	161.9	0	0	0	108.7	Y99	L97-Y99 PolarHBondContact O-N 3.34Å
98	I	26	Very low	24.7	Very low	79 Å²	79	90.5 Å²	90.5	41%	0.405	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.3	177.4	-57.9	174.6	0	0	0	108.5	L84 W96 T100	L84-I98 HydrophobicContact CB-CB 3.84Å; L84-I98 HydrophobicContact CD1-CB 4.48Å; L84-I98 HydrophobicContact CD1-CG2 4.35Å; L84-I98 PolarHBondContact N-O 2.95Å; L84-I98 PolarHBondContact O-N 3.15Å; L84-I98 VanDerWaalsContact O-N 3.12Å; W96-I98 HydrophobicContact CB-CG1 4.19Å; W96-I98 PolarHBondContact O-N 3.37Å; I98-T100 HydrophobicContact CG2-CG2 4.16Å
99	Y	23.2	Very low	24.5	Very low	151 Å²	151	89.9 Å²	89.9	59%	0.592	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.1	175.3	-143.2	-93	0	0	0	109.5	L81 F83 L97 T101	L81-Y99 HydrophobicContact CD2-CD1 4.44Å; L81-Y99 HydrophobicContact CD2-CE1 3.48Å; L81-Y99 VanDerWaalsContact CD2-CE1 3.48Å; L81-Y99 WeakPolarHBondContact CD2-OH 3.32Å; F83-Y99 HydrophobicContact CE1-CE2 4.26Å; L97-Y99 PolarHBondContact O-N 3.34Å; Y99-T101 HydrophobicContact CD1-CG2 4.32Å; Y99-T101 HydrophobicContact CE1-CG2 4.3Å
100	T	25.9	Very low	24.2	Very low	42 Å²	42	88.1 Å²	88.1	26%	0.258	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.7	173.7	62.3	0	0	0	0	111.1	S82 L84 I98	S82-T100 WeakPolarHBondContact CB-OG1 3.3Å; S82-T100 PolarHBondContact N-O 3.04Å; S82-T100 PolarHBondContact O-OG1 2.91Å; L84-T100 HydrophobicContact CD1-CG2 3.75Å; I98-T100 HydrophobicContact CG2-CG2 4.16Å
101	T	23.8	Very low	24	Very low	95 Å²	95	93.6 Å²	93.6	58%	0.583	48%	0.483	S	S	*	.			trans	-97.5	122.3	173.5	46.2	0	0	0	0	109.2	Y99	Y99-T101 HydrophobicContact CD1-CG2 4.32Å; Y99-T101 HydrophobicContact CE1-CG2 4.3Å
102	R	23.2	Very low	24.2	Very low	57 Å²	57	97.7 Å²	97.7	22%	0.215	49%	0.492	C	S	.	.			trans	-80.4	127.6	174.1	-91.2	175.5	167.6	-172.2	-0.8	110.8	T80	T80-R102 WeakPolarHBondContact OG1-CD 3.48Å; T80-R102 PolarHBondContact OG1-NH1 2.68Å
103	L	23.6	Very low	24.1	Very low	134 Å²	134	104.3 Å²	104.3	70%	0.702	52%	0.517	S	S	*	.			trans	-105.9	108.7	159	-114.4	155.8	0	0	0	107
104	L	23.4	Very low	24	Very low	111 Å²	111	108.4 Å²	108.4	58%	0.581	54%	0.537	S	S	*	.			trans	-84.2	115.2	176.4	-79.5	162	0	0	0	109.1
105	G	23.8	Very low	23.9	Very low	62 Å²	62	106.6 Å²	106.6	64%	0.639	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-80	145.7	172.8	0	0	0	0	0	112
106	T	22.5	Very low	23.8	Very low	95 Å²	95	108.8 Å²	108.8	58%	0.583	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-81.1	160.7	-175.6	22.8	0	0	0	0	114.5	E58	E58-T106 PolarHBondContact OE1-OG1 2.83Å
107	Y	23.7	Very low	23.7	Very low	137 Å²	137	112.7 Å²	112.7	54%	0.537	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-68.4	130.7	-177.8	177	-103.7	0	0	0	113	A109	Y107-A109 HydrophobicContact CE1-CB 3.74Å
108	A	23.1	Very low	23.7	Very low	30 Å²	30	110.5 Å²	110.5	25%	0.248	57%	0.574	C	S	.	*			trans	-114.7	109.8	167.5	0	0	0	0	0	109.8	L56	L56-A108 HydrophobicContact CD2-CB 3.94Å
109	A	22	Very low	23.5	Very low	30 Å²	30	117.2 Å²	117.2	25%	0.248	59%	0.594	C	S	.	*			trans	-68.8	135.7	172.8	0	0	0	0	0	110.2	Y107 R111	Y107-A109 HydrophobicContact CE1-CB 3.74Å; A109-R111 PolarHBondContact O-N 2.76Å
110	P	24	Very low	23.5	Very low	84 Å²	84	117.4 Å²	117.4	55%	0.545	60%	0.604	S	S	.	*			trans	-67.2	122	167.4	28.1	-31.9	0	0	0	109.1	E112	P110-E112 VanDerWaalsContact C-N 3.25Å; P110-E112 PolarHBondContact O-N 3.12Å
111	R	22.9	Very low	23.4	Very low	159 Å²	159	120.4 Å²	120.4	60%	0.6	63%	0.627	S	S	*	*			trans	-68.3	85.9	163.9	-90.7	-176	167.8	174	0.6	109.4	A109	A109-R111 PolarHBondContact O-N 2.76Å
112	E	25.8	Very low	23.4	Very low	148 Å²	148	122.9 Å²	122.9	69%	0.692	64%	0.637	S	S	*	*			trans	-64.7	152.3	151.6	-70.4	-165.4	152.7	0	0	109.4	P110 I114	P110-E112 VanDerWaalsContact C-N 3.25Å; P110-E112 PolarHBondContact O-N 3.12Å; E112-I114 PolarHBondContact O-N 3.17Å
113	F	23.9	Very low	23.5	Very low	221 Å²	221	124.9 Å²	124.9	97%	0.969	66%	0.656	S	S	*	*			trans	-68.6	78.1	178	-82.3	-107.6	0	0	0	110.9	D115	F113-D115 PolarHBondContact O-N 2.81Å
114	I	24.4	Very low	23.5	Very low	134 Å²	134	124.6 Å²	124.6	69%	0.687	66%	0.662	S	S	*	*			trans	-83.1	101.9	168.9	-58.1	175.3	0	0	0	107.7	E112 V116	E112-I114 PolarHBondContact O-N 3.17Å; I114-V116 HydrophobicContact CG2-CG2 4.2Å; I114-V116 WeakPolarHBondContact O-CG2 3.42Å; I114-V116 PolarHBondContact O-N 2.79Å
115	D	23.1	Very low	23.8	Very low	111 Å²	111	125.9 Å²	125.9	59%	0.594	66%	0.663	S	S	*	*			trans	-67.1	100	158.9	-177.3	-0.5	0	0	0	108.2	F113 R117 A118	F113-D115 PolarHBondContact O-N 2.81Å; D115-R117 PolarHBondContact O-N 2.7Å; D115-R117 VanDerWaalsContact OD1-CB 3.3Å; D115-R117 WeakPolarHBondContact OD1-CB 3.17Å; D115-R117 WeakPolarHBondContact OD1-CG 3.23Å; D115-R117 PolarHBondContact OD1-N 3.01Å; D115-R117 VanDerWaalsContact OD1-N 3.12Å; D115-A118 PolarHBondContact O-N 3.42Å
116	V	23.1	Very low	23.9	Very low	133 Å²	133	128 Å²	128	81%	0.806	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	5.6	-176.1	-161.4	0	0	0	0	112.4	I114	I114-V116 HydrophobicContact CG2-CG2 4.2Å; I114-V116 WeakPolarHBondContact O-CG2 3.42Å; I114-V116 PolarHBondContact O-N 2.79Å
117	R	23.2	Very low	24.1	Very low	217 Å²	217	131.9 Å²	131.9	82%	0.819	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-16.9	173.6	-62	-179.3	179	-160.5	0.7	114.2	D115 R119	D115-R117 PolarHBondContact O-N 2.7Å; D115-R117 VanDerWaalsContact OD1-CB 3.3Å; D115-R117 WeakPolarHBondContact OD1-CB 3.17Å; D115-R117 WeakPolarHBondContact OD1-CG 3.23Å; D115-R117 PolarHBondContact OD1-N 3.01Å; D115-R117 VanDerWaalsContact OD1-N 3.12Å; R117-R119 VanDerWaalsContact C-N 3.29Å; R117-R119 PolarHBondContact O-N 2.85Å
118	A	24	Very low	24.4	Very low	91 Å²	91	130.9 Å²	130.9	75%	0.752	67%	0.672	S	S	*	*			trans	-76.5	75.1	179.8	0	0	0	0	0	112.3	D115 L120	D115-A118 PolarHBondContact O-N 3.42Å; A118-L120 PolarHBondContact O-N 3.41Å
119	R	21.9	Very low	24.7	Very low	220 Å²	220	135.1 Å²	135.1	83%	0.83	69%	0.686	S	S	*	*			trans	-60.3	131.6	169.7	-74.4	-179.6	173.9	-178.5	-2	111.3	R117	R117-R119 VanDerWaalsContact C-N 3.29Å; R117-R119 PolarHBondContact O-N 2.85Å
120	L	22.9	Very low	25.2	Very low	154 Å²	154	138.1 Å²	138.1	81%	0.806	70%	0.698	S	S	*	*	S	Bend	trans	58.3	144.5	141.6	-68.3	157.8	0	0	0	119.1	A118	A118-L120 PolarHBondContact O-N 3.41Å
121	S	23.3	Very low	25.5	Very low	105 Å²	105	138.5 Å²	138.5	73%	0.734	70%	0.699	S	S	*	*			trans	73.6	128.8	172.5	68.3	0	0	0	0	118.2
122	D	24	Very low	26	Very low	148 Å²	148	133.5 Å²	133.5	79%	0.791	69%	0.692	S	S	*	*			trans	46.2	96.4	151.5	-53	-16.7	0	0	0	119.5
123	T	24.6	Very low	26.3	Very low	99 Å²	99	132.1 Å²	132.1	61%	0.607	69%	0.685	S	S	*	*			trans	-164.2	90.6	140.3	8.9	0	0	0	0	114.9	K125	T123-K125 VanDerWaalsContact C-N 3.28Å; T123-K125 HydrophobicContact CG2-CB 4.3Å; T123-K125 PolarHBondContact O-N 3.11Å
124	P	23.8	Very low	26.7	Very low	128 Å²	128	126.7 Å²	126.7	83%	0.831	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	86.6	153.4	30.6	-31.7	0	0	0	108.9
125	K	29.6	Very low	27	Very low	138 Å²	138	122.5 Å²	122.5	60%	0.6	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166	-17.1	175.8	-107.7	150	-169.1	-178.4	0	116.9	T123 K127 D128 Q129	T123-K125 VanDerWaalsContact C-N 3.28Å; T123-K125 HydrophobicContact CG2-CB 4.3Å; T123-K125 PolarHBondContact O-N 3.11Å; K125-K127 VanDerWaalsContact C-N 3.26Å; K125-K127 PolarHBondContact O-N 2.82Å; K125-D128 PolarHBondContact O-N 2.8Å; K125-D128 VanDerWaalsContact O-N 3.16Å; K125-Q129 PolarHBondContact O-N 3.04Å
126	L	26.2	Very low	27.5	Very low	107 Å²	107	123.3 Å²	123.3	56%	0.56	65%	0.651	S	S	*	*	H	α-helix	trans	-59.5	-29.6	-176.4	-85.9	150.1	0	0	0	114.7	D128 N130	L126-D128 VanDerWaalsContact C-N 3.31Å; L126-D128 PolarHBondContact O-N 3.37Å; L126-N130 PolarHBondContact O-N 2.94Å
127	K	27.1	Very low	28	Very low	176 Å²	176	125.3 Å²	125.3	77%	0.765	64%	0.644	S	S	*	*	H	α-helix	trans	-67.3	-31.1	179.3	-151.1	175.6	-173.1	-178.8	0	112.8	K125 T131	K125-K127 VanDerWaalsContact C-N 3.26Å; K125-K127 PolarHBondContact O-N 2.82Å; K127-T131 PolarHBondContact O-OG1 3.3Å
128	D	30.2	Very low	28.4	Very low	116 Å²	116	118.6 Å²	118.6	62%	0.62	62%	0.624	S	S	*	*	H	α-helix	trans	-83.8	-36.6	-179.9	-60.9	-31.6	0	0	0	111.9	K125 L126 T131 A132	K125-D128 PolarHBondContact O-N 2.8Å; K125-D128 VanDerWaalsContact O-N 3.16Å; L126-D128 VanDerWaalsContact C-N 3.31Å; L126-D128 PolarHBondContact O-N 3.37Å; D128-T131 PolarHBondContact O-N 3.42Å; D128-A132 VanDerWaalsContact O-CB 3.31Å; D128-A132 WeakPolarHBondContact O-CB 3.29Å; D128-A132 PolarHBondContact O-N 3.07Å
129	Q	29.6	Very low	28.8	Very low	119 Å²	119	121.2 Å²	121.2	56%	0.556	62%	0.615	S	S	*	*	H	α-helix	trans	-65.6	-46.7	179	-75.5	-178.6	-67	0	0	112.6	K125 T131 A132 E133	K125-Q129 PolarHBondContact O-N 3.04Å; Q129-T131 VanDerWaalsContact C-N 3.27Å; Q129-T131 PolarHBondContact O-N 3.26Å; Q129-A132 PolarHBondContact O-N 2.67Å; Q129-E133 PolarHBondContact O-N 2.75Å
130	N	30.9	Very low	29.4	Very low	92 Å²	92	116.3 Å²	116.3	49%	0.492	61%	0.606	S	S	.	*	H	α-helix	trans	-61.3	-38.9	176.1	-74	-5.5	0	0	0	111.4	L126 I134	L126-N130 PolarHBondContact O-N 2.94Å; N130-I134 WeakPolarHBondContact O-CB 3.23Å; N130-I134 VanDerWaalsContact O-CD1 3.32Å; N130-I134 WeakPolarHBondContact O-CD1 3.39Å; N130-I134 WeakPolarHBondContact O-CG1 3.47Å; N130-I134 PolarHBondContact O-N 3.21Å
131	T	32	Very low	30	Very low	93 Å²	93	113.8 Å²	113.8	57%	0.571	59%	0.593	S	S	*	*	H	α-helix	trans	-67.5	-40.3	177.7	-53.2	0	0	0	0	111.6	K127 D128 Q129 A135	K127-T131 PolarHBondContact O-OG1 3.3Å; D128-T131 PolarHBondContact O-N 3.42Å; Q129-T131 VanDerWaalsContact C-N 3.27Å; Q129-T131 PolarHBondContact O-N 3.26Å; T131-A135 VanDerWaalsContact O-CB 3.25Å; T131-A135 WeakPolarHBondContact O-CB 3.36Å; T131-A135 PolarHBondContact O-N 3.27Å
132	A	32.8	Very low	30.4	Very low	54 Å²	54	116.8 Å²	116.8	45%	0.446	59%	0.588	S	S	.	*	H	α-helix	trans	-69.7	-47	179.2	0	0	0	0	0	113.4	D128 Q129 I134 A135 Q136	D128-A132 VanDerWaalsContact O-CB 3.31Å; D128-A132 WeakPolarHBondContact O-CB 3.29Å; D128-A132 PolarHBondContact O-N 3.07Å; Q129-A132 PolarHBondContact O-N 2.67Å; A132-I134 VanDerWaalsContact C-N 3.31Å; A132-I134 PolarHBondContact O-N 3.24Å; A132-A135 PolarHBondContact O-N 3.02Å; A132-Q136 WeakPolarHBondContact O-CB 3.38Å; A132-Q136 PolarHBondContact O-N 3.26Å
133	E	32.1	Very low	30.8	Very low	119 Å²	119	116.8 Å²	116.8	56%	0.556	59%	0.588	S	S	*	*	H	α-helix	trans	-63.4	-37.9	177.8	-73.3	-161	145.8	0	0	112.2	Q129 Q136 R137	Q129-E133 PolarHBondContact O-N 2.75Å; E133-Q136 PolarHBondContact O-N 3.14Å; E133-R137 WeakPolarHBondContact O-CG 3.29Å; E133-R137 PolarHBondContact O-N 3.49Å
134	I	31.7	Very low	31.2	Very low	106 Å²	106	116.1 Å²	116.1	54%	0.544	58%	0.584	S	S	.	*	H	α-helix	trans	-68.2	-41.5	175.8	-67.7	171	0	0	0	110.6	N130 A132 Q136 L138	N130-I134 WeakPolarHBondContact O-CB 3.23Å; N130-I134 VanDerWaalsContact O-CD1 3.32Å; N130-I134 WeakPolarHBondContact O-CD1 3.39Å; N130-I134 WeakPolarHBondContact O-CG1 3.47Å; N130-I134 PolarHBondContact O-N 3.21Å; A132-I134 VanDerWaalsContact C-N 3.31Å; A132-I134 PolarHBondContact O-N 3.24Å; I134-Q136 VanDerWaalsContact C-N 3.31Å; I134-Q136 PolarHBondContact O-N 3.23Å; I134-L138 HydrophobicContact CG2-CD1 4.34Å; I134-L138 WeakPolarHBondContact O-CB 3.32Å; I134-L138 PolarHBondContact O-N 3.29Å
135	A	31.4	Very low	31.4	Very low	46 Å²	46	114.5 Å²	114.5	38%	0.38	58%	0.581	S	S	.	*	H	α-helix	trans	-63.7	-34.4	174.8	0	0	0	0	0	112.8	T131 A132 L138 Y139	T131-A135 VanDerWaalsContact O-CB 3.25Å; T131-A135 WeakPolarHBondContact O-CB 3.36Å; T131-A135 PolarHBondContact O-N 3.27Å; A132-A135 PolarHBondContact O-N 3.02Å; A135-L138 WeakPolarHBondContact O-CB 3.31Å; A135-L138 PolarHBondContact O-N 3.24Å; A135-Y139 PolarHBondContact O-N 3.47Å
136	Q	33.8	Very low	31.5	Very low	129 Å²	129	116.7 Å²	116.7	60%	0.603	59%	0.591	S	S	*	*	H	α-helix	trans	-74.7	-44.4	179.5	-161.1	152.1	-1.1	0	0	111.7	A132 E133 I134 L138 Y139 D140	A132-Q136 WeakPolarHBondContact O-CB 3.38Å; A132-Q136 PolarHBondContact O-N 3.26Å; E133-Q136 PolarHBondContact O-N 3.14Å; I134-Q136 VanDerWaalsContact C-N 3.31Å; I134-Q136 PolarHBondContact O-N 3.23Å; Q136-L138 PolarHBondContact O-N 3.18Å; Q136-L138 VanDerWaalsContact O-N 3.14Å; Q136-Y139 PolarHBondContact O-N 2.8Å; Q136-D140 PolarHBondContact O-N 2.74Å
137	R	32.7	Very low	31.7	Very low	175 Å²	175	118.1 Å²	118.1	66%	0.66	60%	0.599	S	S	*	*	H	α-helix	trans	-59.6	-23.3	168.3	-69.3	-178.8	-172.4	-174.8	6.8	113	E133 N141	E133-R137 WeakPolarHBondContact O-CG 3.29Å; E133-R137 PolarHBondContact O-N 3.49Å; R137-N141 PolarHBondContact O-ND2 2.71Å
138	L	31.8	Very low	31.6	Very low	76 Å²	76	117.6 Å²	117.6	40%	0.398	61%	0.605	S	S	.	*	H	α-helix	trans	-76.9	-36.9	172.4	-104.3	159.4	0	0	0	112.9	I134 A135 Q136	I134-L138 HydrophobicContact CG2-CD1 4.34Å; I134-L138 WeakPolarHBondContact O-CB 3.32Å; I134-L138 PolarHBondContact O-N 3.29Å; A135-L138 WeakPolarHBondContact O-CB 3.31Å; A135-L138 PolarHBondContact O-N 3.24Å; Q136-L138 PolarHBondContact O-N 3.18Å; Q136-L138 VanDerWaalsContact O-N 3.14Å
139	Y	33	Very low	31.4	Very low	146 Å²	146	115.1 Å²	115.1	57%	0.573	60%	0.596	S	S	*	*	H	α-helix	trans	-72.7	-40.8	177.6	-108.5	-105.1	0	0	0	112.6	A135 Q136 N141 R142	A135-Y139 PolarHBondContact O-N 3.47Å; Q136-Y139 PolarHBondContact O-N 2.8Å; Y139-N141 VanDerWaalsContact C-N 3.26Å; Y139-N141 PolarHBondContact O-N 3.08Å; Y139-R142 VanDerWaalsContact CE1-CZ 3.43Å; Y139-R142 WeakPolarHBondContact O-CB 3.4Å; Y139-R142 WeakPolarHBondContact O-CD 3.33Å; Y139-R142 WeakPolarHBondContact O-CG 3.41Å; Y139-R142 PolarHBondContact O-N 2.91Å; Y139-R142 PolarHBondContact OH-NH2 3.11Å
140	D	33.8	Very low	31.4	Very low	117 Å²	117	112.2 Å²	112.2	63%	0.626	59%	0.589	S	S	*	*	H	α-helix	trans	-69.6	-24.6	-178.2	-65.2	-29.2	0	0	0	112.7	Q136 R142	Q136-D140 PolarHBondContact O-N 2.74Å; D140-R142 VanDerWaalsContact C-N 3.26Å; D140-R142 PolarHBondContact O-N 3.34Å
141	N	35.5	Very low	31.1	Very low	101 Å²	101	113.1 Å²	113.1	54%	0.54	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-82.6	11.8	176.5	-80.7	-61.9	0	0	0	114.5	R137 Y139 N143 V144	R137-N141 PolarHBondContact O-ND2 2.71Å; Y139-N141 VanDerWaalsContact C-N 3.26Å; Y139-N141 PolarHBondContact O-N 3.08Å; N141-N143 PolarHBondContact O-N 3.09Å; N141-V144 HydrophobicContact CB-CG2 4.01Å; N141-V144 WeakPolarHBondContact O-CG2 3.49Å; N141-V144 PolarHBondContact O-N 2.85Å; N141-V144 VanDerWaalsContact O-N 3.16Å; N141-V144 WeakPolarHBondContact OD1-CG2 3.49Å
142	R	31.4	Very low	31.1	Very low	168 Å²	168	111.5 Å²	111.5	63%	0.634	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-61.1	-14	175	-79.2	175.6	176.9	-149.9	-3.5	114.6	Y139 D140	Y139-R142 VanDerWaalsContact CE1-CZ 3.43Å; Y139-R142 WeakPolarHBondContact O-CB 3.4Å; Y139-R142 WeakPolarHBondContact O-CD 3.33Å; Y139-R142 WeakPolarHBondContact O-CG 3.41Å; Y139-R142 PolarHBondContact O-N 2.91Å; Y139-R142 PolarHBondContact OH-NH2 3.11Å; D140-R142 VanDerWaalsContact C-N 3.26Å; D140-R142 PolarHBondContact O-N 3.34Å
143	N	31.9	Very low	31.3	Very low	148 Å²	148	114.4 Å²	114.4	79%	0.791	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-91.4	1.6	177.2	-74.6	-36.3	0	0	0	114.9	N141 A145	N141-N143 PolarHBondContact O-N 3.09Å; N143-A145 PolarHBondContact O-N 2.99Å
144	V	33.2	Very low	31.4	Very low	84 Å²	84	109.8 Å²	109.8	51%	0.509	56%	0.56	S	S	.	*			trans	-78	40	-179.1	-168.4	0	0	0	0	112	N141 K146 D147	N141-V144 HydrophobicContact CB-CG2 4.01Å; N141-V144 WeakPolarHBondContact O-CG2 3.49Å; N141-V144 PolarHBondContact O-N 2.85Å; N141-V144 VanDerWaalsContact O-N 3.16Å; N141-V144 WeakPolarHBondContact OD1-CG2 3.49Å; V144-K146 PolarHBondContact O-N 3Å; V144-D147 HydrophobicContact CG1-CB 4.17Å
145	A	29.7	Very low	31.6	Very low	94 Å²	94	105.9 Å²	105.9	78%	0.777	54%	0.54	S	S	*	.	S	Bend	trans	-84.9	11.1	174.9	0	0	0	0	0	113.2	N143	N143-A145 PolarHBondContact O-N 2.99Å
146	K	31.3	Very low	32	Very low	185 Å²	185	109.3 Å²	109.3	80%	0.804	55%	0.547	S	S	*	.	S	Bend	trans	-133.7	-8.3	-172.5	-75.1	-172.4	175.6	179.4	0	116.3	V144 N148	V144-K146 PolarHBondContact O-N 3Å; K146-N148 PolarHBondContact O-N 3.24Å
147	D	29.2	Very low	32.1	Very low	136 Å²	136	103.7 Å²	103.7	73%	0.727	52%	0.521	S	S	*	.			trans	-89.9	104.8	-178.6	-102.9	-42.8	0	0	0	112.4	V144 S149	V144-D147 HydrophobicContact CG1-CB 4.17Å; D147-S149 PolarHBondContact O-N 2.71Å
148	N	25.6	Very low	32.3	Very low	166 Å²	166	97.9 Å²	97.9	89%	0.888	50%	0.502	S	S	*	.			trans	-78.7	44.7	-167.6	-75.6	-44.9	0	0	0	114.7	K146	K146-N148 PolarHBondContact O-N 3.24Å
149	S	26.9	Very low	32.6	Very low	63 Å²	63	97.2 Å²	97.2	44%	0.441	50%	0.499	S	S	.	.			trans	-124	94.2	173	74	0	0	0	0	113.1	D147 R151 D152	D147-S149 PolarHBondContact O-N 2.71Å; S149-R151 PolarHBondContact O-N 3.26Å; S149-R151 VanDerWaalsContact O-N 3.13Å; S149-D152 PolarHBondContact O-N 3.24Å; S149-D152 VanDerWaalsContact O-N 3.08Å; S149-D152 WeakPolarHBondContact OG-CB 3.38Å
150	S	28.6	Very low	33	Very low	59 Å²	59	95.6 Å²	95.6	41%	0.413	49%	0.492	S	S	.	.	H	α-helix	trans	-55.2	-27.9	174.3	54.3	0	0	0	0	113.9	M44 L154	M44-S150 VanDerWaalsContact CE-CB 3.46Å; M44-S150 VanDerWaalsContact CE-OG 3.31Å; M44-S150 WeakPolarHBondContact CE-OG 3.47Å; M44-S150 PolarHBondContact SD-OG 3.3Å; S150-L154 VanDerWaalsContact O-CB 3.3Å; S150-L154 WeakPolarHBondContact O-CB 3.48Å; S150-L154 PolarHBondContact O-N 3.38Å
151	R	25.6	Very low	33.3	Very low	110 Å²	110	90.3 Å²	90.3	42%	0.415	46%	0.463	S	S	.	.	H	α-helix	trans	-54.5	-47.9	172.5	-81	-179.4	148.7	139.8	-0.3	112.7	P45 L46 S149 L154 N155	P45-R151 HydrophobicContact CB-CG 4.37Å; P45-R151 HydrophobicContact CG-CG 3.74Å; L46-R151 WeakPolarHBondContact CD2-O 3.46Å; S149-R151 PolarHBondContact O-N 3.26Å; S149-R151 VanDerWaalsContact O-N 3.13Å; R151-L154 PolarHBondContact O-N 3.43Å; R151-N155 PolarHBondContact O-N 3.18Å
152	D	31.4	Very low	33.3	Very low	60 Å²	60	87.3 Å²	87.3	32%	0.321	45%	0.453	S	S	.	.	H	α-helix	trans	-78.3	-37.2	-167.3	-165	49.2	0	0	0	111.5	S149 L154 K156	S149-D152 PolarHBondContact O-N 3.24Å; S149-D152 VanDerWaalsContact O-N 3.08Å; S149-D152 WeakPolarHBondContact OG-CB 3.38Å; D152-L154 VanDerWaalsContact C-N 3.34Å; D152-L154 PolarHBondContact O-N 3.12Å; D152-K156 WeakPolarHBondContact O-CB 3.5Å; D152-K156 WeakPolarHBondContact O-CD 3.41Å; D152-K156 VanDerWaalsContact O-CG 3.31Å; D152-K156 WeakPolarHBondContact O-CG 3.15Å; D152-K156 PolarHBondContact O-N 2.84Å; D152-K156 VanDerWaalsContact O-N 3.12Å; D152-K156 IonicContact OD1-NZ 3.45Å; D152-K156 VanDerWaalsContact OD2-CE 3.29Å; D152-K156 WeakPolarHBondContact OD2-CE 3.46Å; D152-K156 IonicContact OD2-NZ 2.67Å; D152-K156 PolarHBondContact OD2-NZ 3.18Å
153	L	37	Very low	33.7	Very low	115 Å²	115	84.5 Å²	84.5	60%	0.602	45%	0.447	S	S	*	.	H	α-helix	trans	-57.7	-47.2	168.5	-172.7	70.8	0	0	0	111	T157	L153-T157 WeakPolarHBondContact O-CB 3.5Å; L153-T157 PolarHBondContact O-N 2.95Å; L153-T157 PolarHBondContact O-OG1 2.72Å
154	L	33.5	Very low	33.9	Very low	21 Å²	21	78.4 Å²	78.4	11%	0.11	42%	0.419	C	S	.	.	H	α-helix	trans	-71.4	-34.4	-174.5	-173.7	71.1	0	0	0	112.9	L46 S150 R151 D152 T157 I158 L232	L46-L154 HydrophobicContact CD1-CD2 3.92Å; L46-L154 HydrophobicContact CD1-CG 3.94Å; L46-L154 HydrophobicContact CD2-CB 3.75Å; L46-L154 HydrophobicContact CD2-CD2 3.78Å; L46-L154 HydrophobicContact CD2-CG 3.78Å; L46-L154 HydrophobicContact CG-CD2 3.82Å; L46-L154 HydrophobicContact CG-CG 4.16Å; S150-L154 VanDerWaalsContact O-CB 3.3Å; S150-L154 WeakPolarHBondContact O-CB 3.48Å; S150-L154 PolarHBondContact O-N 3.38Å; R151-L154 PolarHBondContact O-N 3.43Å; D152-L154 VanDerWaalsContact C-N 3.34Å; D152-L154 PolarHBondContact O-N 3.12Å; L154-T157 WeakPolarHBondContact O-CB 3.45Å; L154-I158 PolarHBondContact O-N 3.01Å; L154-L232 HydrophobicContact CD1-CD2 3.85Å; L154-L232 HydrophobicContact CD1-CG 4.11Å
155	N	36.3	Very low	34	Very low	25 Å²	25	75.7 Å²	75.7	13%	0.134	40%	0.401	C	S	.	.	H	α-helix	trans	-64.4	-53.3	170.8	-98.4	-24.5	0	0	0	111.9	L46 T47 R151 T157 I158 L159	L46-N155 HydrophobicContact CD2-CB 4.16Å; L46-N155 WeakPolarHBondContact CD2-OD1 3.5Å; T47-N155 PolarHBondContact O-ND2 3.17Å; R151-N155 PolarHBondContact O-N 3.18Å; N155-T157 PolarHBondContact O-N 2.62Å; N155-I158 PolarHBondContact O-N 3.12Å; N155-I158 VanDerWaalsContact O-N 3.15Å; N155-L159 PolarHBondContact O-N 2.65Å
156	K	39.3	Very low	34.2	Very low	118 Å²	118	74.5 Å²	74.5	51%	0.513	39%	0.391	S	S	.	.	H	α-helix	trans	-56.9	-34	177.4	-73.7	167.7	177.1	167.9	0	111.8	D152 R160	D152-K156 WeakPolarHBondContact O-CB 3.5Å; D152-K156 WeakPolarHBondContact O-CD 3.41Å; D152-K156 VanDerWaalsContact O-CG 3.31Å; D152-K156 WeakPolarHBondContact O-CG 3.15Å; D152-K156 PolarHBondContact O-N 2.84Å; D152-K156 VanDerWaalsContact O-N 3.12Å; D152-K156 IonicContact OD1-NZ 3.45Å; D152-K156 VanDerWaalsContact OD2-CE 3.29Å; D152-K156 WeakPolarHBondContact OD2-CE 3.46Å; D152-K156 IonicContact OD2-NZ 2.67Å; D152-K156 PolarHBondContact OD2-NZ 3.18Å; K156-R160 WeakPolarHBondContact O-CG 3.49Å; K156-R160 PolarHBondContact O-N 2.88Å
157	T	36.9	Very low	34.3	Very low	10 Å²	10	69.5 Å²	69.5	6%	0.061	38%	0.384	C	S	.	.	H	α-helix	trans	-69.3	-45.5	175.8	-84.9	0	0	0	0	113.9	L153 L154 N155 L159 R160 L161 V236	L153-T157 WeakPolarHBondContact O-CB 3.5Å; L153-T157 PolarHBondContact O-N 2.95Å; L153-T157 PolarHBondContact O-OG1 2.72Å; L154-T157 WeakPolarHBondContact O-CB 3.45Å; N155-T157 PolarHBondContact O-N 2.62Å; T157-L159 VanDerWaalsContact C-N 3.31Å; T157-R160 WeakPolarHBondContact O-CB 3.44Å; T157-R160 PolarHBondContact O-N 2.91Å; T157-L161 PolarHBondContact O-N 3.11Å; T157-V236 HydrophobicContact CG2-CB 3.73Å; T157-V236 HydrophobicContact CG2-CG1 3.28Å; T157-V236 HydrophobicContact CG2-CG2 3.07Å
158	I	36.9	Very low	34.3	Very low	53 Å²	53	64.6 Å²	64.6	27%	0.272	36%	0.361	S	S	.	.	H	α-helix	trans	-68.4	-34.3	176.5	-77.2	174.3	0	0	0	111	L46 L154 N155 L161 A162	L46-I158 HydrophobicContact CD1-CD1 3.43Å; L46-I158 VanDerWaalsContact CD1-CD1 3.43Å; L154-I158 PolarHBondContact O-N 3.01Å; N155-I158 PolarHBondContact O-N 3.12Å; N155-I158 VanDerWaalsContact O-N 3.15Å; I158-L161 WeakPolarHBondContact O-CB 3.46Å; I158-L161 PolarHBondContact O-N 2.68Å; I158-A162 PolarHBondContact O-N 2.85Å
159	L	38.3	Very low	34.5	Very low	63 Å²	63	60.2 Å²	60.2	33%	0.33	34%	0.341	S	S	.	.	H	α-helix	trans	-59.9	-43.8	168.8	-84.8	157.1	0	0	0	112	N155 T157 L161 A162 H163	N155-L159 PolarHBondContact O-N 2.65Å; T157-L159 VanDerWaalsContact C-N 3.31Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.2Å; L159-A162 PolarHBondContact O-N 3Å; L159-H163 WeakPolarHBondContact O-CB 3.49Å; L159-H163 PolarHBondContact O-CD2 2.83Å; L159-H163 PolarHBondContact O-N 3.01Å
160	R	40.8	Very low	34.6	Very low	111 Å²	111	62.1 Å²	62.1	42%	0.419	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-37.1	173.2	-78.1	178.9	-174.8	171.3	4.6	113.3	K156 T157 G164	K156-R160 WeakPolarHBondContact O-CG 3.49Å; K156-R160 PolarHBondContact O-N 2.88Å; T157-R160 WeakPolarHBondContact O-CB 3.44Å; T157-R160 PolarHBondContact O-N 2.91Å; R160-G164 WeakPolarHBondContact O-CA 3.44Å; R160-G164 PolarHBondContact O-N 3.47Å
161	L	39.4	Very low	34.7	Very low	6 Å²	6	63.6 Å²	63.6	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-65.8	-46.7	174.4	-89.8	159.6	0	0	0	111.7	T157 I158 L159 G164 L165 Y235 V236 Y239	T157-L161 PolarHBondContact O-N 3.11Å; I158-L161 WeakPolarHBondContact O-CB 3.46Å; I158-L161 PolarHBondContact O-N 2.68Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.2Å; L161-G164 PolarHBondContact O-N 3.22Å; L161-L165 WeakPolarHBondContact O-CB 3.33Å; L161-L165 WeakPolarHBondContact O-CD1 3.4Å; L161-L165 WeakPolarHBondContact O-CG 3.23Å; L161-L165 PolarHBondContact O-N 3.39Å; L161-Y235 HydrophobicContact CD1-CD1 3.61Å; L161-Y235 HydrophobicContact CD1-CE1 3.49Å; L161-Y235 VanDerWaalsContact CD1-CE1 3.49Å; L161-Y235 HydrophobicContact CD2-CD1 4Å; L161-Y235 HydrophobicContact CD2-CE1 3.33Å; L161-Y235 HydrophobicContact CD2-CE2 4.42Å; L161-Y235 HydrophobicContact CG-CD1 4.47Å; L161-Y235 HydrophobicContact CG-CE1 4.05Å; L161-V236 HydrophobicContact CD1-CG2 3.65Å; L161-Y239 HydrophobicContact CD2-CD1 3.42Å; L161-Y239 VanDerWaalsContact CD2-CD1 3.42Å; L161-Y239 HydrophobicContact CD2-CD2 4.08Å; L161-Y239 HydrophobicContact CD2-CE1 3.85Å; L161-Y239 HydrophobicContact CD2-CE2 4.47Å; L161-Y239 HydrophobicContact CD2-CG 3.55Å; L161-Y239 HydrophobicContact CG-CD1 4.08Å
162	A	35.8	Very low	35	Very low	38 Å²	38	60 Å²	60	31%	0.314	35%	0.348	S	S	.	.	H	α-helix	trans	-63.9	-47	177.8	0	0	0	0	0	112.1	I158 L159 L165 A166	I158-A162 PolarHBondContact O-N 2.85Å; L159-A162 PolarHBondContact O-N 3Å; A162-L165 PolarHBondContact O-N 3.09Å; A162-A166 WeakPolarHBondContact O-CB 3.34Å; A162-A166 PolarHBondContact O-N 3.47Å
163	H	39.2	Very low	35.1	Very low	110 Å²	110	58 Å²	58	51%	0.509	34%	0.336	S	S	.	.	H	α-helix	trans	-65.7	-39.2	175	-85.9	-78.6	0	0	0	112.6	L159 A166 A167	L159-H163 WeakPolarHBondContact O-CB 3.49Å; L159-H163 PolarHBondContact O-CD2 2.83Å; L159-H163 PolarHBondContact O-N 3.01Å; H163-A166 PolarHBondContact O-N 2.99Å; H163-A167 WeakPolarHBondContact O-CB 3.23Å; H163-A167 PolarHBondContact O-N 2.92Å
164	G	36.9	Very low	35.4	Very low	20 Å²	20	54.1 Å²	54.1	21%	0.206	32%	0.316	C	S	.	.	H	α-helix	trans	-64.2	-43.8	176.5	0	0	0	0	0	111.8	R160 L161 A167 S168 Y239	R160-G164 WeakPolarHBondContact O-CA 3.44Å; R160-G164 PolarHBondContact O-N 3.47Å; L161-G164 PolarHBondContact O-N 3.22Å; G164-A167 CarbonylContact O-C 3.51Å; G164-A167 PolarHBondContact O-N 3.18Å; G164-S168 WeakPolarHBondContact O-CA 3.18Å; G164-S168 WeakPolarHBondContact O-CB 3.15Å; G164-S168 PolarHBondContact O-N 2.88Å; G164-S168 PolarHBondContact O-OG 2.72Å; G164-Y239 WeakPolarHBondContact CA-OH 3.49Å; G164-Y239 PolarHBondContact O-OH 3.01Å
165	L	36.3	Very low	35.7	Very low	26 Å²	26	57.9 Å²	57.9	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-67.7	-36.1	176.3	-70.4	164.5	0	0	0	111.8	L161 A162 Y239 F277 L280	L161-L165 WeakPolarHBondContact O-CB 3.33Å; L161-L165 WeakPolarHBondContact O-CD1 3.4Å; L161-L165 WeakPolarHBondContact O-CG 3.23Å; L161-L165 PolarHBondContact O-N 3.39Å; A162-L165 PolarHBondContact O-N 3.09Å; L165-Y239 HydrophobicContact CD2-CE2 4.32Å; L165-Y239 PolarHBondContact N-OH 2.79Å; L165-Y239 VanDerWaalsContact N-OH 3.09Å; L165-F277 HydrophobicContact CD1-CD1 3.81Å; L165-F277 HydrophobicContact CD1-CE1 3.52Å; L165-L280 HydrophobicContact CB-CD1 3.89Å; L165-L280 HydrophobicContact CD1-CD1 4.32Å
166	A	32.9	Very low	35.9	Very low	69 Å²	69	58.1 Å²	58.1	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-70.5	-29.3	172.5	0	0	0	0	0	113.7	A162 H163 L280	A162-A166 WeakPolarHBondContact O-CB 3.34Å; A162-A166 PolarHBondContact O-N 3.47Å; H163-A166 PolarHBondContact O-N 2.99Å; A166-L280 HydrophobicContact CB-CD2 3.92Å
167	A	32.7	Very low	36.2	Very low	80 Å²	80	52.6 Å²	52.6	66%	0.661	31%	0.31	S	S	*	.	H	α-helix	trans	-95	-8.8	178.9	0	0	0	0	0	114.2	H163 G164	H163-A167 WeakPolarHBondContact O-CB 3.23Å; H163-A167 PolarHBondContact O-N 2.92Å; G164-A167 CarbonylContact O-C 3.51Å; G164-A167 PolarHBondContact O-N 3.18Å
168	S	30.4	Very low	36.8	Very low	33 Å²	33	52.8 Å²	52.8	23%	0.231	31%	0.31	C	S	.	.	S	Bend	trans	-61.9	156.1	175.6	-70	0	0	0	0	110.4	G164 S172 Y239	G164-S168 WeakPolarHBondContact O-CA 3.18Å; G164-S168 WeakPolarHBondContact O-CB 3.15Å; G164-S168 PolarHBondContact O-N 2.88Å; G164-S168 PolarHBondContact O-OG 2.72Å; S168-S172 VanDerWaalsContact CB-OG 3.32Å; S168-S172 WeakPolarHBondContact CB-OG 3.29Å; S168-Y239 PolarHBondContact OG-OH 3.22Å
169	P	29.5	Very low	37.3	Very low	74 Å²	74	52.5 Å²	52.5	48%	0.481	31%	0.309	S	S	.	.			trans	-53.5	145.2	176.3	-24.5	34.3	0	0	0	110.6	N171 S172	P169-N171 PolarHBondContact O-N 3Å; P169-S172 PolarHBondContact O-N 3.16Å; P169-S172 PolarHBondContact O-OG 3.2Å
170	P	29.5	Very low	37.9	Very low	104 Å²	104	49.8 Å²	49.8	68%	0.675	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	17.1	-173.1	-26.8	36.1	0	0	0	118.3
171	N	30.6	Very low	38.4	Very low	89 Å²	89	44.5 Å²	44.5	48%	0.476	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-9.1	-168.4	-55.9	43.1	0	0	0	112.4	P169 Y173	P169-N171 PolarHBondContact O-N 3Å; N171-Y173 VanDerWaalsContact C-N 3.32Å
172	S	31.9	Very low	38.8	Very low	36 Å²	36	45.6 Å²	45.6	25%	0.252	28%	0.28	S	S	.	.	S	Bend	trans	-79.6	-12.5	-176.3	52	0	0	0	0	114.5	S168 P169	S168-S172 VanDerWaalsContact CB-OG 3.32Å; S168-S172 WeakPolarHBondContact CB-OG 3.29Å; P169-S172 PolarHBondContact O-N 3.16Å; P169-S172 PolarHBondContact O-OG 3.2Å
173	Y	34	Very low	39.2	Very low	16 Å²	16	45 Å²	45	6%	0.063	27%	0.271	C	S	.	.	S	Bend	trans	-133.7	98.3	170.3	-149.7	-97	0	0	0	106.4	N171 E175 F178 I261 F277 T281	N171-Y173 VanDerWaalsContact C-N 3.32Å; Y173-E175 PolarHBondContact O-N 2.97Å; Y173-F178 HydrophobicContact CE1-CD2 4.06Å; Y173-F178 WeakPolarHBondContact OH-CE2 3.47Å; Y173-I261 HydrophobicContact CE2-CG1 4.26Å; Y173-F277 VanDerWaalsContact CE1-O 3.27Å; Y173-F277 WeakPolarHBondContact CE1-O 3.4Å; Y173-F277 PolarHBondContact OH-O 3.06Å; Y173-T281 WeakPolarHBondContact O-CG2 2.84Å; Y173-T281 PolarHBondContact O-OG1 2.85Å
174	D	42	Very low	39.4	Very low	35 Å²	35	39.9 Å²	39.9	19%	0.187	25%	0.247	C	C	.	.			trans	-80.6	109.8	178.9	-178.1	11.6	0	0	0	108.3	D176 V177 F178 R180 P315	D174-D176 PolarHBondContact O-N 3.15Å; D174-D176 VanDerWaalsContact OD1-CB 3.29Å; D174-D176 WeakPolarHBondContact OD1-CB 3.48Å; D174-D176 PolarHBondContact OD1-N 3.24Å; D174-V177 HydrophobicContact CB-CB 3.95Å; D174-V177 HydrophobicContact CB-CG2 3.9Å; D174-V177 WeakPolarHBondContact O-CA 3.4Å; D174-V177 WeakPolarHBondContact O-CB 3.35Å; D174-V177 PolarHBondContact O-N 3.2Å; D174-F178 PolarHBondContact O-N 2.84Å; D174-F178 VanDerWaalsContact O-N 3.08Å; D174-R180 IonicContact OD2-CZ 3.26Å; D174-R180 IonicContact OD2-NH1 2.61Å; D174-R180 PolarHBondContact OD2-NH1 2.88Å; D174-P315 HydrophobicContact CB-CG 4.28Å; D174-P315 WeakPolarHBondContact OD2-CD 3.46Å
175	E	39.2	Very low	39.5	Very low	99 Å²	99	39.4 Å²	39.4	46%	0.463	24%	0.242	S	C	.	.	H	α-helix	trans	-55	-35.3	174.1	-169.7	179.3	173.9	0	0	110.1	Y173 V177 F178 L179	Y173-E175 PolarHBondContact O-N 2.97Å; E175-V177 PolarHBondContact O-N 3.06Å; E175-F178 WeakPolarHBondContact O-CB 3.44Å; E175-F178 PolarHBondContact O-N 3.26Å; E175-L179 HydrophobicContact CG-CD1 4.24Å; E175-L179 WeakPolarHBondContact O-CB 3.35Å; E175-L179 VanDerWaalsContact O-CG 3.25Å; E175-L179 WeakPolarHBondContact O-CG 3.47Å; E175-L179 PolarHBondContact O-N 2.79Å
176	D	41.9	Very low	40.1	Very low	31 Å²	31	38.2 Å²	38.2	17%	0.166	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-37.7	172.7	-77.5	-0.3	0	0	0	112	D174 F178 L179 R180 A287	D174-D176 PolarHBondContact O-N 3.15Å; D174-D176 VanDerWaalsContact OD1-CB 3.29Å; D174-D176 WeakPolarHBondContact OD1-CB 3.48Å; D174-D176 PolarHBondContact OD1-N 3.24Å; D176-F178 VanDerWaalsContact C-N 3.3Å; D176-F178 PolarHBondContact O-N 2.76Å; D176-L179 PolarHBondContact O-N 2.85Å; D176-R180 VanDerWaalsContact CB-NH2 3.29Å; D176-R180 WeakPolarHBondContact O-CB 3.22Å; D176-R180 VanDerWaalsContact O-CD 3.22Å; D176-R180 WeakPolarHBondContact O-CD 3.49Å; D176-R180 WeakPolarHBondContact O-CG 3.39Å; D176-R180 PolarHBondContact O-N 2.79Å; D176-R180 IonicContact OD2-CZ 2.67Å; D176-R180 IonicContact OD2-NH2 3.75Å; D176-R180 PolarHBondContact OD2-NH2 3.43Å; D176-A287 VanDerWaalsContact OD2-CB 3.23Å; D176-A287 WeakPolarHBondContact OD2-CB 3.43Å
177	V	45.7	Very low	40.9	Very low	1 Å²	1	35 Å²	35	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-42.8	173.6	160.7	0	0	0	0	110.4	D174 E175 L179 R180 L181 I261 P315 V318	D174-V177 HydrophobicContact CB-CB 3.95Å; D174-V177 HydrophobicContact CB-CG2 3.9Å; D174-V177 WeakPolarHBondContact O-CA 3.4Å; D174-V177 WeakPolarHBondContact O-CB 3.35Å; D174-V177 PolarHBondContact O-N 3.2Å; E175-V177 PolarHBondContact O-N 3.06Å; V177-L179 PolarHBondContact O-N 3.32Å; V177-R180 PolarHBondContact O-N 3.06Å; V177-L181 HydrophobicContact CG1-CD1 3.59Å; V177-L181 HydrophobicContact CG1-CG 4.06Å; V177-L181 VanDerWaalsContact O-CB 3.31Å; V177-L181 WeakPolarHBondContact O-CB 3.46Å; V177-L181 WeakPolarHBondContact O-CG 3.38Å; V177-L181 PolarHBondContact O-N 3.43Å; V177-I261 HydrophobicContact CG1-CD1 4.36Å; V177-P315 HydrophobicContact CG2-CG 3.41Å; V177-P315 VanDerWaalsContact CG2-CG 3.41Å; V177-V318 HydrophobicContact CG1-CG1 4.24Å; V177-V318 HydrophobicContact CG1-CG2 3.67Å; V177-V318 HydrophobicContact CG2-CG2 4.25Å
178	F	49.1	Very low	41.6	Very low	15 Å²	15	34.7 Å²	34.7	7%	0.066	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-46.5	177.2	-157.7	-101.1	0	0	0	111	Y173 D174 E175 D176 L181 I182 L187 Y201 I273 A278	Y173-F178 HydrophobicContact CE1-CD2 4.06Å; Y173-F178 WeakPolarHBondContact OH-CE2 3.47Å; D174-F178 PolarHBondContact O-N 2.84Å; D174-F178 VanDerWaalsContact O-N 3.08Å; E175-F178 WeakPolarHBondContact O-CB 3.44Å; E175-F178 PolarHBondContact O-N 3.26Å; D176-F178 VanDerWaalsContact C-N 3.3Å; D176-F178 PolarHBondContact O-N 2.76Å; F178-L181 PolarHBondContact O-N 3.34Å; F178-I182 HydrophobicContact CD1-CD1 3.65Å; F178-I182 HydrophobicContact CE1-CD1 3.77Å; F178-I182 VanDerWaalsContact O-CG1 3.27Å; F178-I182 WeakPolarHBondContact O-CG1 3.28Å; F178-I182 PolarHBondContact O-N 2.82Å; F178-L187 HydrophobicContact CD1-CD1 4.49Å; F178-L187 HydrophobicContact CD2-CD1 3.59Å; F178-L187 HydrophobicContact CE1-CD1 4.48Å; F178-L187 HydrophobicContact CE2-CD1 3.57Å; F178-L187 HydrophobicContact CG-CD1 4.08Å; F178-L187 HydrophobicContact CZ-CD1 4.05Å; F178-Y201 HydrophobicContact CE1-CD1 4.49Å; F178-Y201 AromaticContact CE1-CD2 3.97Å; F178-Y201 HydrophobicContact CE1-CD2 3.97Å; F178-Y201 HydrophobicContact CE1-CE1 4.09Å; F178-Y201 AromaticContact CE1-CE2 3.52Å; F178-Y201 HydrophobicContact CE1-CE2 3.52Å; F178-Y201 HydrophobicContact CE1-CG 4.41Å; F178-Y201 AromaticContact CE1-CZ 3.57Å; F178-Y201 HydrophobicContact CZ-CD1 4.43Å; F178-Y201 AromaticContact CZ-CD2 3.47Å; F178-Y201 HydrophobicContact CZ-CD2 3.47Å; F178-Y201 VanDerWaalsContact CZ-CD2 3.47Å; F178-Y201 HydrophobicContact CZ-CE1 4.44Å; F178-Y201 AromaticContact CZ-CE2 3.49Å; F178-Y201 HydrophobicContact CZ-CE2 3.49Å; F178-Y201 VanDerWaalsContact CZ-CE2 3.49Å; F178-Y201 AromaticContact CZ-CG 3.95Å; F178-Y201 HydrophobicContact CZ-CG 3.95Å; F178-Y201 AromaticContact CZ-CZ 3.99Å; F178-I273 HydrophobicContact CE2-CD1 3.82Å; F178-I273 HydrophobicContact CE2-CG2 4.44Å; F178-A278 HydrophobicContact CE1-CB 4.37Å; F178-A278 HydrophobicContact CZ-CB 3.85Å
179	L	46.4	Very low	42	Very low	47 Å²	47	35.9 Å²	35.9	25%	0.246	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-39.3	176.3	-66.1	169.9	0	0	0	113	E175 D176 V177 I182 Q183	E175-L179 HydrophobicContact CG-CD1 4.24Å; E175-L179 WeakPolarHBondContact O-CB 3.35Å; E175-L179 VanDerWaalsContact O-CG 3.25Å; E175-L179 WeakPolarHBondContact O-CG 3.47Å; E175-L179 PolarHBondContact O-N 2.79Å; D176-L179 PolarHBondContact O-N 2.85Å; V177-L179 PolarHBondContact O-N 3.32Å; L179-I182 PolarHBondContact O-N 2.61Å; L179-Q183 WeakPolarHBondContact O-CB 3.36Å; L179-Q183 VanDerWaalsContact O-CG 3.26Å; L179-Q183 WeakPolarHBondContact O-CG 2.93Å; L179-Q183 PolarHBondContact O-N 3.42Å
180	R	51.2	Low	42.6	Very low	6 Å²	6	33 Å²	33	2%	0.023	18%	0.183	C	C	.	.	H	α-helix	trans	-67.7	-38.2	176.1	-69.4	159.8	-169.3	155.4	2.5	111.2	D174 D176 V177 I184 Y214 Y223 T289 L292	D174-R180 IonicContact OD2-CZ 3.26Å; D174-R180 IonicContact OD2-NH1 2.61Å; D174-R180 PolarHBondContact OD2-NH1 2.88Å; D176-R180 VanDerWaalsContact CB-NH2 3.29Å; D176-R180 WeakPolarHBondContact O-CB 3.22Å; D176-R180 VanDerWaalsContact O-CD 3.22Å; D176-R180 WeakPolarHBondContact O-CD 3.49Å; D176-R180 WeakPolarHBondContact O-CG 3.39Å; D176-R180 PolarHBondContact O-N 2.79Å; D176-R180 IonicContact OD2-CZ 2.67Å; D176-R180 IonicContact OD2-NH2 3.75Å; D176-R180 PolarHBondContact OD2-NH2 3.43Å; V177-R180 PolarHBondContact O-N 3.06Å; R180-I184 PolarHBondContact O-N 2.85Å; R180-Y214 WeakPolarHBondContact CD-OH 3.41Å; R180-Y214 VanDerWaalsContact CZ-OH 3.27Å; R180-Y214 PolarHBondContact NE-OH 3.46Å; R180-Y214 VanDerWaalsContact NE-OH 3.12Å; R180-Y223 WeakPolarHBondContact CB-OH 3.3Å; R180-T289 HydrophobicContact CG-CG2 4.48Å; R180-L292 HydrophobicContact CB-CD1 4.09Å; R180-L292 HydrophobicContact CB-CD2 4.22Å; R180-L292 HydrophobicContact CG-CD1 3.93Å; R180-L292 HydrophobicContact CG-CD2 4.1Å
181	L	51.4	Low	42.7	Very low	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.1	-35.5	174.3	-68.9	166.7	0	0	0	112	V177 F178 G185 M186 L187 F212 V225 I261 V318 F320	V177-L181 HydrophobicContact CG1-CD1 3.59Å; V177-L181 HydrophobicContact CG1-CG 4.06Å; V177-L181 VanDerWaalsContact O-CB 3.31Å; V177-L181 WeakPolarHBondContact O-CB 3.46Å; V177-L181 WeakPolarHBondContact O-CG 3.38Å; V177-L181 PolarHBondContact O-N 3.43Å; F178-L181 PolarHBondContact O-N 3.34Å; L181-G185 PolarHBondContact O-N 3.23Å; L181-M186 HydrophobicContact CB-CB 4.32Å; L181-M186 HydrophobicContact CD2-CB 3.95Å; L181-M186 HydrophobicContact CD2-CG 4.48Å; L181-M186 HydrophobicContact CD2-SD 3.9Å; L181-M186 WeakPolarHBondContact O-CA 3.36Å; L181-M186 WeakPolarHBondContact O-CB 3.38Å; L181-M186 PolarHBondContact O-N 3.47Å; L181-L187 HydrophobicContact CB-CB 4.4Å; L181-L187 HydrophobicContact CB-CD1 3.77Å; L181-L187 HydrophobicContact CB-CG 3.71Å; L181-L187 HydrophobicContact CD1-CD1 4.04Å; L181-L187 HydrophobicContact CD1-CG 4.37Å; L181-L187 PolarHBondContact O-N 3.46Å; L181-F212 HydrophobicContact CD2-CE1 4.14Å; L181-F212 HydrophobicContact CD2-CE2 4.11Å; L181-F212 HydrophobicContact CD2-CZ 3.5Å; L181-F212 VanDerWaalsContact CD2-CZ 3.5Å; L181-V225 HydrophobicContact CD2-CG2 4.34Å; L181-I261 HydrophobicContact CD1-CD1 3.53Å; L181-V318 HydrophobicContact CD1-CG1 4.48Å; L181-F320 HydrophobicContact CD1-CZ 4.23Å
182	I	48.1	Very low	42.6	Very low	28 Å²	28	33.1 Å²	33.1	14%	0.144	18%	0.182	C	C	.	.	H	α-helix	trans	-67.4	-49.1	171.5	-67.9	163.9	0	0	0	110.6	F178 L179 I184 G185 L187 Y201	F178-I182 HydrophobicContact CD1-CD1 3.65Å; F178-I182 HydrophobicContact CE1-CD1 3.77Å; F178-I182 VanDerWaalsContact O-CG1 3.27Å; F178-I182 WeakPolarHBondContact O-CG1 3.28Å; F178-I182 PolarHBondContact O-N 2.82Å; L179-I182 PolarHBondContact O-N 2.61Å; I182-I184 PolarHBondContact O-N 2.86Å; I182-I184 VanDerWaalsContact O-N 3.11Å; I182-G185 PolarHBondContact O-N 3.33Å; I182-L187 HydrophobicContact CG1-CB 3.7Å; I182-L187 HydrophobicContact CG1-CD1 4.3Å; I182-Y201 HydrophobicContact CD1-CD1 4.24Å; I182-Y201 HydrophobicContact CD1-CE1 3.49Å; I182-Y201 VanDerWaalsContact CD1-CE1 3.49Å; I182-Y201 HydrophobicContact CG1-CD1 4.17Å; I182-Y201 HydrophobicContact CG1-CE1 3.85Å
183	Q	44.2	Very low	42.3	Very low	27 Å²	27	31.9 Å²	31.9	13%	0.126	17%	0.173	C	C	.	.	H	α-helix	trans	-55.9	-29.7	179.8	-82.3	173.5	-25.8	0	0	113	L84 L179 L292 A303	L84-Q183 VanDerWaalsContact CD2-O 3.32Å; L84-Q183 WeakPolarHBondContact CD2-O 3.25Å; L179-Q183 WeakPolarHBondContact O-CB 3.36Å; L179-Q183 VanDerWaalsContact O-CG 3.26Å; L179-Q183 WeakPolarHBondContact O-CG 2.93Å; L179-Q183 PolarHBondContact O-N 3.42Å; Q183-L292 HydrophobicContact CB-CD1 4.39Å; Q183-L292 VanDerWaalsContact OE1-CD1 3.25Å; Q183-A303 VanDerWaalsContact O-CB 3.23Å; Q183-A303 WeakPolarHBondContact O-CB 3.42Å
184	I	42.6	Very low	41.8	Very low	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	8.8	179.7	-142.4	133.9	0	0	0	113.9	R180 I182 M186 F212 L292 V294 L301 A303	R180-I184 PolarHBondContact O-N 2.85Å; I182-I184 PolarHBondContact O-N 2.86Å; I182-I184 VanDerWaalsContact O-N 3.11Å; I184-M186 HydrophobicContact CG2-CB 3.94Å; I184-M186 HydrophobicContact CG2-CG 3.87Å; I184-M186 PolarHBondContact O-N 2.81Å; I184-M186 VanDerWaalsContact O-N 3.15Å; I184-F212 HydrophobicContact CB-CE1 4.39Å; I184-F212 HydrophobicContact CD1-CE1 4.43Å; I184-F212 HydrophobicContact CG2-CE1 3.56Å; I184-F212 HydrophobicContact CG2-CZ 3.58Å; I184-L292 HydrophobicContact CD1-CB 3.55Å; I184-L292 VanDerWaalsContact CD1-O 3.3Å; I184-L292 WeakPolarHBondContact CD1-O 3.42Å; I184-V294 HydrophobicContact CB-CG2 4.37Å; I184-V294 HydrophobicContact CD1-CG2 3.62Å; I184-V294 HydrophobicContact CG1-CG2 3.73Å; I184-V294 HydrophobicContact CG2-CG2 3.82Å; I184-L301 HydrophobicContact CB-CD2 4.38Å; I184-L301 HydrophobicContact CG1-CD2 3.5Å; I184-L301 WeakPolarHBondContact O-CD2 3.46Å; I184-A303 HydrophobicContact CD1-CB 4.29Å; I184-A303 HydrophobicContact CG1-CB 4.36Å
185	G	39.7	Very low	41.1	Very low	11 Å²	11	42 Å²	42	11%	0.113	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	12.1	176.9	0	0	0	0	0	114.2	L181 I182 I188	L181-G185 PolarHBondContact O-N 3.23Å; I182-G185 PolarHBondContact O-N 3.33Å; G185-I188 WeakPolarHBondContact O-CG1 3.33Å
186	M	48.5	Very low	40.5	Very low	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-73.8	-31.3	169.6	-88	-152.4	72.8	0	0	112	L181 I184 V203 N204 F207 V208 F212 V225 F320	L181-M186 HydrophobicContact CB-CB 4.32Å; L181-M186 HydrophobicContact CD2-CB 3.95Å; L181-M186 HydrophobicContact CD2-CG 4.48Å; L181-M186 HydrophobicContact CD2-SD 3.9Å; L181-M186 WeakPolarHBondContact O-CA 3.36Å; L181-M186 WeakPolarHBondContact O-CB 3.38Å; L181-M186 PolarHBondContact O-N 3.47Å; I184-M186 HydrophobicContact CG2-CB 3.94Å; I184-M186 HydrophobicContact CG2-CG 3.87Å; I184-M186 PolarHBondContact O-N 2.81Å; I184-M186 VanDerWaalsContact O-N 3.15Å; M186-V203 HydrophobicContact CE-CG1 4.2Å; M186-V203 CarbonylContact O-C 3.52Å; M186-V203 VanDerWaalsContact O-CA 3.26Å; M186-V203 WeakPolarHBondContact O-CA 3.47Å; M186-N204 PolarHBondContact O-N 2.88Å; M186-F207 HydrophobicContact CE-CB 3.68Å; M186-F207 HydrophobicContact CG-CB 3.53Å; M186-F207 HydrophobicContact CG-CD2 4.08Å; M186-F207 HydrophobicContact CG-CG 4.06Å; M186-F207 HydrophobicContact SD-CB 3.34Å; M186-F207 WeakPolarHBondContact SD-CB 3.2Å; M186-F207 HydrophobicContact SD-CG 4.4Å; M186-V208 HydrophobicContact CE-CG2 4.07Å; M186-F212 HydrophobicContact CG-CZ 4.14Å; M186-F212 HydrophobicContact SD-CE2 3.46Å; M186-F212 WeakPolarHBondContact SD-CE2 3.42Å; M186-F212 HydrophobicContact SD-CZ 3.48Å; M186-F212 WeakPolarHBondContact SD-CZ 3.31Å; M186-V225 HydrophobicContact CE-CG1 3.98Å; M186-V225 HydrophobicContact SD-CG1 4.48Å; M186-F320 HydrophobicContact CE-CE2 3.99Å
187	L	50.2	Low	39.7	Very low	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	104.2	167.6	-65.4	-177.2	0	0	0	109.2	F178 L181 I182 Y201 F202 V203 I273 F320	F178-L187 HydrophobicContact CD1-CD1 4.49Å; F178-L187 HydrophobicContact CD2-CD1 3.59Å; F178-L187 HydrophobicContact CE1-CD1 4.48Å; F178-L187 HydrophobicContact CE2-CD1 3.57Å; F178-L187 HydrophobicContact CG-CD1 4.08Å; F178-L187 HydrophobicContact CZ-CD1 4.05Å; L181-L187 HydrophobicContact CB-CB 4.4Å; L181-L187 HydrophobicContact CB-CD1 3.77Å; L181-L187 HydrophobicContact CB-CG 3.71Å; L181-L187 HydrophobicContact CD1-CD1 4.04Å; L181-L187 HydrophobicContact CD1-CG 4.37Å; L181-L187 PolarHBondContact O-N 3.46Å; I182-L187 HydrophobicContact CG1-CB 3.7Å; I182-L187 HydrophobicContact CG1-CD1 4.3Å; L187-Y201 HydrophobicContact CB-CD1 4.06Å; L187-F202 WeakPolarHBondContact CA-O 3.25Å; L187-V203 HydrophobicContact CD2-CB 4.31Å; L187-V203 HydrophobicContact CD2-CG1 4.46Å; L187-V203 HydrophobicContact CD2-CG2 3.73Å; L187-I273 HydrophobicContact CD1-CD1 3.88Å; L187-I273 HydrophobicContact CD2-CD1 3.39Å; L187-I273 HydrophobicContact CD2-CG1 4.36Å; L187-I273 HydrophobicContact CG-CD1 4.28Å; L187-F320 HydrophobicContact CD2-CE1 4.38Å; L187-F320 HydrophobicContact CD2-CZ 4.3Å
188	I	46.8	Very low	39.1	Very low	74 Å²	74	52.9 Å²	52.9	38%	0.379	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.9	175.2	-58.2	172.2	0	0	0	106.4	G185 N190 Y201 F202 N204	G185-I188 WeakPolarHBondContact O-CG1 3.33Å; I188-N190 PolarHBondContact O-N 3.29Å; I188-N190 VanDerWaalsContact O-N 3.12Å; I188-Y201 CarbonylContact O-C 3.51Å; I188-Y201 WeakPolarHBondContact O-CA 3.32Å; I188-F202 HydrophobicContact CB-CB 4.48Å; I188-F202 PolarHBondContact N-O 2.88Å; I188-F202 PolarHBondContact O-N 3.41Å; I188-N204 HydrophobicContact CD1-CB 4.32Å
189	P	40.4	Very low	38.4	Very low	59 Å²	59	55.3 Å²	55.3	38%	0.383	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	123.1	169.2	-22.6	32.9	0	0	0	108.4	V191 Y201	P189-V191 WeakPolarHBondContact O-CG2 3.32Å; P189-V191 PolarHBondContact O-N 2.77Å; P189-Y201 HydrophobicContact CG-CD1 4.46Å; P189-Y201 HydrophobicContact CG-CE1 4.24Å
190	N	41.2	Very low	38	Very low	14 Å²	14	53.5 Å²	53.5	8%	0.075	27%	0.271	C	S	.	.			trans	-60.2	108.5	179.6	172	4.7	0	0	0	107.8	I188 D192 C193 T200 F202	I188-N190 PolarHBondContact O-N 3.29Å; I188-N190 VanDerWaalsContact O-N 3.12Å; N190-D192 PolarHBondContact O-N 3.12Å; N190-D192 VanDerWaalsContact O-N 3.17Å; N190-D192 WeakPolarHBondContact OD1-CB 3.19Å; N190-D192 PolarHBondContact OD1-N 3.13Å; N190-C193 HydrophobicContact CB-CB 4.08Å; N190-C193 WeakPolarHBondContact O-CA 3.29Å; N190-C193 WeakPolarHBondContact O-CB 3.04Å; N190-C193 PolarHBondContact O-N 3.43Å; N190-C193 PolarHBondContact O-SG 2.99Å; N190-T200 VanDerWaalsContact CB-O 3.22Å; N190-T200 WeakPolarHBondContact CB-O 3.25Å; N190-T200 WeakPolarHBondContact CB-OG1 3.46Å; N190-T200 PolarHBondContact N-O 3.02Å; N190-T200 PolarHBondContact ND2-OG1 3.42Å; N190-F202 HydrophobicContact CB-CD2 3.87Å; N190-F202 HydrophobicContact CB-CE2 3.74Å; N190-F202 HydrophobicContact CB-CG 4.45Å; N190-F202 HydrophobicContact CB-CZ 4.21Å; N190-F202 WeakPolarHBondContact OD1-CE2 3.35Å; N190-F202 WeakPolarHBondContact OD1-CZ 3.33Å
191	V	30.8	Very low	37.7	Very low	102 Å²	102	54.7 Å²	54.7	62%	0.618	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-69.5	-18.2	-172.4	-166	0	0	0	0	111.3	P189 C193 M194	P189-V191 WeakPolarHBondContact O-CG2 3.32Å; P189-V191 PolarHBondContact O-N 2.77Å; V191-C193 VanDerWaalsContact C-N 3.29Å; V191-M194 HydrophobicContact CG1-CG 4.44Å; V191-M194 WeakPolarHBondContact O-CB 3.49Å; V191-M194 PolarHBondContact O-N 3.1Å
192	D	29.9	Very low	37.5	Very low	92 Å²	92	56.9 Å²	56.9	49%	0.492	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-71.1	-22.1	166.5	-80.7	-42.3	0	0	0	113	N190 M194 K195	N190-D192 PolarHBondContact O-N 3.12Å; N190-D192 VanDerWaalsContact O-N 3.17Å; N190-D192 WeakPolarHBondContact OD1-CB 3.19Å; N190-D192 PolarHBondContact OD1-N 3.13Å; D192-M194 PolarHBondContact O-N 2.85Å; D192-K195 WeakPolarHBondContact O-CA 3.5Å; D192-K195 WeakPolarHBondContact O-CB 3.29Å; D192-K195 PolarHBondContact O-N 3.18Å; D192-K195 WeakPolarHBondContact OD1-CE 3.28Å; D192-K195 IonicContact OD1-NZ 3.1Å; D192-K195 PolarHBondContact OD1-NZ 2.84Å
193	C	25.9	Very low	37.5	Very low	10 Å²	10	55.7 Å²	55.7	7%	0.068	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-76.5	-0.9	170.5	95.1	0	0	0	0	113.7	N190 V191 K195 E196 R198 T200	N190-C193 HydrophobicContact CB-CB 4.08Å; N190-C193 WeakPolarHBondContact O-CA 3.29Å; N190-C193 WeakPolarHBondContact O-CB 3.04Å; N190-C193 PolarHBondContact O-N 3.43Å; N190-C193 PolarHBondContact O-SG 2.99Å; V191-C193 VanDerWaalsContact C-N 3.29Å; C193-K195 PolarHBondContact O-N 3.33Å; C193-E196 HydrophobicContact CB-CB 4.45Å; C193-E196 PolarHBondContact O-N 3.07Å; C193-R198 VanDerWaalsContact CB-O 3.27Å; C193-R198 WeakPolarHBondContact CB-O 3.41Å; C193-T200 WeakPolarHBondContact CB-OG1 3.15Å; C193-T200 PolarHBondContact SG-N 3.11Å
194	M	23.6	Very low	37.9	Very low	113 Å²	113	56.1 Å²	56.1	56%	0.557	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-69	-4.9	156.7	-66.2	-90.7	-80.4	0	0	112.2	V191 D192 R884	V191-M194 HydrophobicContact CG1-CG 4.44Å; V191-M194 WeakPolarHBondContact O-CB 3.49Å; V191-M194 PolarHBondContact O-N 3.1Å; D192-M194 PolarHBondContact O-N 2.85Å; M194-R884 PolarHBondContact O-NH1 3.03Å
195	K	27.2	Very low	38.3	Very low	152 Å²	152	59.2 Å²	59.2	66%	0.661	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-111	-6.3	174.4	-49.8	164.5	-176.3	164.6	0	112.8	D192 C193	D192-K195 WeakPolarHBondContact O-CA 3.5Å; D192-K195 WeakPolarHBondContact O-CB 3.29Å; D192-K195 PolarHBondContact O-N 3.18Å; D192-K195 WeakPolarHBondContact OD1-CE 3.28Å; D192-K195 IonicContact OD1-NZ 3.1Å; D192-K195 PolarHBondContact OD1-NZ 2.84Å; C193-K195 PolarHBondContact O-N 3.33Å
196	E	24.8	Very low	38.7	Very low	102 Å²	102	61.8 Å²	61.8	48%	0.477	31%	0.312	S	S	.	.	S	Bend	trans	-113	153.8	174.8	-59.5	-173.7	164.3	0	0	108.4	C193 R198 R884	C193-E196 HydrophobicContact CB-CB 4.45Å; C193-E196 PolarHBondContact O-N 3.07Å; E196-R198 PolarHBondContact O-N 2.88Å; E196-R198 VanDerWaalsContact O-N 3.13Å; E196-R884 PolarHBondContact O-NH1 2.94Å; E196-R884 VanDerWaalsContact O-NH1 3.1Å
197	D	27	Very low	38.7	Very low	129 Å²	129	61.8 Å²	61.8	69%	0.69	31%	0.312	S	S	*	.	S	Bend	trans	-86.7	36.3	174.8	-63.9	-27.1	0	0	0	111.3	R884	D197-R884 IonicContact OD1-CZ 3.16Å; D197-R884 IonicContact OD1-NH1 3.17Å; D197-R884 IonicContact OD1-NH2 3.98Å; D197-R884 PolarHBondContact OD1-NH2 2.87Å
198	R	32.3	Very low	39.1	Very low	127 Å²	127	62.5 Å²	62.5	48%	0.479	32%	0.316	S	S	.	.	S	Bend	trans	-145.5	103	-170	-67.6	-178	-176.5	150.7	5.1	110.2	C193 E196 T200 Y275	C193-R198 VanDerWaalsContact CB-O 3.27Å; C193-R198 WeakPolarHBondContact CB-O 3.41Å; E196-R198 PolarHBondContact O-N 2.88Å; E196-R198 VanDerWaalsContact O-N 3.13Å; R198-T200 PolarHBondContact O-N 2.66Å; R198-Y275 HydrophobicContact CB-CD2 3.94Å; R198-Y275 HydrophobicContact CB-CG 4.01Å; R198-Y275 HydrophobicContact CG-CD1 4.42Å; R198-Y275 HydrophobicContact CG-CD2 4.39Å; R198-Y275 HydrophobicContact CG-CG 4.2Å
199	L	34.1	Very low	39.5	Very low	67 Å²	67	61.4 Å²	61.4	35%	0.351	32%	0.323	S	S	.	.			trans	-56.3	109.3	169.1	-88.1	132.1	0	0	0	110.3	Y201 Y275	L199-Y201 HydrophobicContact CB-CE2 4.18Å; L199-Y201 HydrophobicContact CD2-CE2 4.35Å; L199-Y275 HydrophobicContact CB-CD2 4.46Å; L199-Y275 WeakPolarHBondContact O-CD2 3.46Å
200	T	38.6	Very low	40.4	Very low	9 Å²	9	58.6 Å²	58.6	6%	0.055	31%	0.305	C	S	.	.			trans	-115.7	151.6	168.5	54.1	0	0	0	0	108.7	N190 C193 R198	N190-T200 VanDerWaalsContact CB-O 3.22Å; N190-T200 WeakPolarHBondContact CB-O 3.25Å; N190-T200 WeakPolarHBondContact CB-OG1 3.46Å; N190-T200 PolarHBondContact N-O 3.02Å; N190-T200 PolarHBondContact ND2-OG1 3.42Å; C193-T200 WeakPolarHBondContact CB-OG1 3.15Å; C193-T200 PolarHBondContact SG-N 3.11Å; R198-T200 PolarHBondContact O-N 2.66Å
201	Y	44	Very low	41.5	Very low	31 Å²	31	60.6 Å²	60.6	12%	0.122	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.8	-176.3	-64.3	-99.7	0	0	0	109.3	F178 I182 L187 I188 P189 L199 L272 I273 A278	F178-Y201 HydrophobicContact CE1-CD1 4.49Å; F178-Y201 AromaticContact CE1-CD2 3.97Å; F178-Y201 HydrophobicContact CE1-CD2 3.97Å; F178-Y201 HydrophobicContact CE1-CE1 4.09Å; F178-Y201 AromaticContact CE1-CE2 3.52Å; F178-Y201 HydrophobicContact CE1-CE2 3.52Å; F178-Y201 HydrophobicContact CE1-CG 4.41Å; F178-Y201 AromaticContact CE1-CZ 3.57Å; F178-Y201 HydrophobicContact CZ-CD1 4.43Å; F178-Y201 AromaticContact CZ-CD2 3.47Å; F178-Y201 HydrophobicContact CZ-CD2 3.47Å; F178-Y201 VanDerWaalsContact CZ-CD2 3.47Å; F178-Y201 HydrophobicContact CZ-CE1 4.44Å; F178-Y201 AromaticContact CZ-CE2 3.49Å; F178-Y201 HydrophobicContact CZ-CE2 3.49Å; F178-Y201 VanDerWaalsContact CZ-CE2 3.49Å; F178-Y201 AromaticContact CZ-CG 3.95Å; F178-Y201 HydrophobicContact CZ-CG 3.95Å; F178-Y201 AromaticContact CZ-CZ 3.99Å; I182-Y201 HydrophobicContact CD1-CD1 4.24Å; I182-Y201 HydrophobicContact CD1-CE1 3.49Å; I182-Y201 VanDerWaalsContact CD1-CE1 3.49Å; I182-Y201 HydrophobicContact CG1-CD1 4.17Å; I182-Y201 HydrophobicContact CG1-CE1 3.85Å; L187-Y201 HydrophobicContact CB-CD1 4.06Å; I188-Y201 CarbonylContact O-C 3.51Å; I188-Y201 WeakPolarHBondContact O-CA 3.32Å; P189-Y201 HydrophobicContact CG-CD1 4.46Å; P189-Y201 HydrophobicContact CG-CE1 4.24Å; L199-Y201 HydrophobicContact CB-CE2 4.18Å; L199-Y201 HydrophobicContact CD2-CE2 4.35Å; Y201-L272 WeakPolarHBondContact O-CA 3.08Å; Y201-I273 PolarHBondContact O-N 2.9Å; Y201-A278 HydrophobicContact CE2-CB 4.2Å
202	F	48.1	Very low	42.9	Very low	46 Å²	46	55.8 Å²	55.8	20%	0.202	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.9	164.2	-69.4	-54.7	0	0	0	109.3	L187 I188 N190 T266 H270 W271 L272	L187-F202 WeakPolarHBondContact CA-O 3.25Å; I188-F202 HydrophobicContact CB-CB 4.48Å; I188-F202 PolarHBondContact N-O 2.88Å; I188-F202 PolarHBondContact O-N 3.41Å; N190-F202 HydrophobicContact CB-CD2 3.87Å; N190-F202 HydrophobicContact CB-CE2 3.74Å; N190-F202 HydrophobicContact CB-CG 4.45Å; N190-F202 HydrophobicContact CB-CZ 4.21Å; N190-F202 WeakPolarHBondContact OD1-CE2 3.35Å; N190-F202 WeakPolarHBondContact OD1-CZ 3.33Å; F202-T266 HydrophobicContact CE1-CG2 3.97Å; F202-H270 HydrophobicContact CD1-CB 3.67Å; F202-H270 HydrophobicContact CE1-CB 3.79Å; F202-W271 CarbonylContact C-O 3.49Å; F202-W271 VanDerWaalsContact CA-O 3.3Å; F202-W271 WeakPolarHBondContact CA-O 3.22Å; F202-L272 HydrophobicContact CD1-CD1 3.94Å; F202-L272 HydrophobicContact CE1-CD1 3.75Å; F202-L272 HydrophobicContact CZ-CD1 4.48Å
203	V	48	Very low	44.2	Very low	3 Å²	3	53.1 Å²	53.1	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.8	165.1	-168.3	0	0	0	0	108.1	M186 L187 P205 V208 V263 W271 I273 F320	M186-V203 HydrophobicContact CE-CG1 4.2Å; M186-V203 CarbonylContact O-C 3.52Å; M186-V203 VanDerWaalsContact O-CA 3.26Å; M186-V203 WeakPolarHBondContact O-CA 3.47Å; L187-V203 HydrophobicContact CD2-CB 4.31Å; L187-V203 HydrophobicContact CD2-CG1 4.46Å; L187-V203 HydrophobicContact CD2-CG2 3.73Å; V203-P205 WeakPolarHBondContact O-CD 3.4Å; V203-V208 HydrophobicContact CG1-CG2 4.34Å; V203-V263 HydrophobicContact CG2-CG1 3.6Å; V203-W271 HydrophobicContact CB-CB 3.97Å; V203-W271 HydrophobicContact CB-CE3 4.37Å; V203-W271 HydrophobicContact CG1-CE3 4.39Å; V203-W271 HydrophobicContact CG2-CB 4.15Å; V203-W271 PolarHBondContact N-O 2.9Å; V203-I273 HydrophobicContact CG2-CD1 4.26Å; V203-I273 HydrophobicContact CG2-CG1 4.04Å; V203-F320 HydrophobicContact CB-CE1 4.33Å; V203-F320 HydrophobicContact CB-CZ 4.37Å; V203-F320 HydrophobicContact CG1-CD1 4.43Å; V203-F320 HydrophobicContact CG1-CD2 4.29Å; V203-F320 HydrophobicContact CG1-CE1 3.88Å; V203-F320 HydrophobicContact CG1-CE2 3.7Å; V203-F320 HydrophobicContact CG1-CZ 3.48Å; V203-F320 VanDerWaalsContact CG1-CZ 3.48Å; V203-F320 HydrophobicContact CG2-CD1 3.95Å; V203-F320 HydrophobicContact CG2-CE1 3.45Å; V203-F320 VanDerWaalsContact CG2-CE1 3.45Å; V203-F320 HydrophobicContact CG2-CZ 3.91Å
204	N	53	Low	45.4	Very low	36 Å²	36	53.4 Å²	53.4	19%	0.193	28%	0.277	C	S	.	.			trans	-71.2	110.7	165.5	-177.5	-4.5	0	0	0	108.6	M186 I188 E206	M186-N204 PolarHBondContact O-N 2.88Å; I188-N204 HydrophobicContact CD1-CB 4.32Å; N204-E206 PolarHBondContact O-N 3.49Å; N204-E206 WeakPolarHBondContact OD1-CB 2.96Å; N204-E206 PolarHBondContact OD1-N 3.1Å
205	P	50.1	Low	46.5	Very low	65 Å²	65	48.8 Å²	48.8	42%	0.422	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-71.4	-10.4	-177.3	33.1	-37.2	0	0	0	112.9	V203 F207 V208 R296	V203-P205 WeakPolarHBondContact O-CD 3.4Å; P205-F207 PolarHBondContact O-N 3.31Å; P205-V208 PolarHBondContact O-N 2.94Å; P205-R296 PolarHBondContact O-NH1 3.17Å
206	E	47.5	Very low	46.9	Very low	65 Å²	65	53.2 Å²	53.2	30%	0.304	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-61	-24.8	179.2	-169.1	179.3	-170.3	0	0	112.9	N204 R296	N204-E206 PolarHBondContact O-N 3.49Å; N204-E206 WeakPolarHBondContact OD1-CB 2.96Å; N204-E206 PolarHBondContact OD1-N 3.1Å; E206-R296 WeakPolarHBondContact O-CD 3.27Å; E206-R296 PolarHBondContact O-NH1 3.13Å
207	F	50.1	Low	47	Very low	1 Å²	1	54.2 Å²	54.2	0%	0.004	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-108.3	0.6	-178.8	-66.9	-70.7	0	0	0	114.5	F86 M186 P205 G209 G210 V294 T299 L301	F86-F207 HydrophobicContact CE2-CZ 4.32Å; M186-F207 HydrophobicContact CE-CB 3.68Å; M186-F207 HydrophobicContact CG-CB 3.53Å; M186-F207 HydrophobicContact CG-CD2 4.08Å; M186-F207 HydrophobicContact CG-CG 4.06Å; M186-F207 HydrophobicContact SD-CB 3.34Å; M186-F207 WeakPolarHBondContact SD-CB 3.2Å; M186-F207 HydrophobicContact SD-CG 4.4Å; P205-F207 PolarHBondContact O-N 3.31Å; F207-G209 PolarHBondContact O-N 2.8Å; F207-G210 WeakPolarHBondContact O-CA 3.49Å; F207-G210 PolarHBondContact O-N 3.43Å; F207-V294 HydrophobicContact CB-CG1 4.04Å; F207-V294 HydrophobicContact CD1-CB 4.03Å; F207-V294 HydrophobicContact CD1-CG1 3.62Å; F207-V294 HydrophobicContact CG-CG1 4.15Å; F207-T299 HydrophobicContact CE1-CG2 3.8Å; F207-T299 HydrophobicContact CZ-CG2 3.87Å; F207-L301 HydrophobicContact CD2-CD1 4.45Å; F207-L301 HydrophobicContact CE1-CB 3.84Å; F207-L301 HydrophobicContact CE1-CD1 4.38Å; F207-L301 HydrophobicContact CE2-CB 4.42Å; F207-L301 HydrophobicContact CE2-CD1 3.47Å; F207-L301 VanDerWaalsContact CE2-CD1 3.47Å; F207-L301 HydrophobicContact CZ-CB 3.66Å; F207-L301 HydrophobicContact CZ-CD1 3.44Å; F207-L301 VanDerWaalsContact CZ-CD1 3.44Å; F207-L301 HydrophobicContact CZ-CG 4.18Å
208	V	57.5	Low	47.6	Very low	15 Å²	15	50 Å²	50	9%	0.091	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	126.7	173.1	174.4	0	0	0	0	109.8	M186 V203 P205 G210 A227 W271 R296 F320	M186-V208 HydrophobicContact CE-CG2 4.07Å; V203-V208 HydrophobicContact CG1-CG2 4.34Å; P205-V208 PolarHBondContact O-N 2.94Å; V208-G210 VanDerWaalsContact C-N 3.34Å; V208-A227 HydrophobicContact CG1-CB 3.37Å; V208-W271 HydrophobicContact CB-CH2 4.46Å; V208-W271 HydrophobicContact CB-CZ3 4.37Å; V208-W271 HydrophobicContact CG1-CH2 3.94Å; V208-W271 HydrophobicContact CG1-CZ3 4.03Å; V208-W271 HydrophobicContact CG2-CE3 4.33Å; V208-W271 HydrophobicContact CG2-CH2 4.14Å; V208-W271 HydrophobicContact CG2-CZ3 3.62Å; V208-R296 PolarHBondContact O-NE 3.44Å; V208-R296 PolarHBondContact O-NH1 2.82Å; V208-R296 PolarHBondContact O-NH2 3.46Å; V208-R296 VanDerWaalsContact O-NH2 3.12Å; V208-F320 HydrophobicContact CG2-CD2 4.24Å; V208-F320 HydrophobicContact CG2-CE2 4.49Å
209	G	55.1	Low	47.6	Very low	51 Å²	51	49.1 Å²	49.1	53%	0.526	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	3.8	-166.5	0	0	0	0	0	113.6	F207 V225	F207-G209 PolarHBondContact O-N 2.8Å; G209-V225 WeakPolarHBondContact CA-O 3.22Å; G209-V225 PolarHBondContact N-O 3.24Å
210	G	60.4	Low	47.8	Very low	1 Å²	1	53.5 Å²	53.5	1%	0.01	30%	0.299	C	S	.	.			trans	-78.5	162	170.8	0	0	0	0	0	113.2	F207 V208 V225 T295	F207-G210 WeakPolarHBondContact O-CA 3.49Å; F207-G210 PolarHBondContact O-N 3.43Å; V208-G210 VanDerWaalsContact C-N 3.34Å; G210-V225 PolarHBondContact O-N 3.43Å; G210-V225 VanDerWaalsContact O-N 3.15Å; G210-T295 WeakPolarHBondContact CA-O 3.2Å
211	T	64	Low	48.4	Very low	56 Å²	56	55.8 Å²	55.8	34%	0.344	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.3	168.8	-56.5	0	0	0	0	108.8	A222 T295	T211-A222 HydrophobicContact CG2-CB 4.16Å; T211-T295 PolarHBondContact N-O 3.35Å; T211-T295 PolarHBondContact O-N 3.26Å
212	F	60.1	Low	48.9	Very low	1 Å²	1	57.1 Å²	57.1	0%	0.004	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.4	167.6	-81.9	-115.5	0	0	0	108.7	L181 I184 M186 A222 Y223 V225 S293 V294	L181-F212 HydrophobicContact CD2-CE1 4.14Å; L181-F212 HydrophobicContact CD2-CE2 4.11Å; L181-F212 HydrophobicContact CD2-CZ 3.5Å; L181-F212 VanDerWaalsContact CD2-CZ 3.5Å; I184-F212 HydrophobicContact CB-CE1 4.39Å; I184-F212 HydrophobicContact CD1-CE1 4.43Å; I184-F212 HydrophobicContact CG2-CE1 3.56Å; I184-F212 HydrophobicContact CG2-CZ 3.58Å; M186-F212 HydrophobicContact CG-CZ 4.14Å; M186-F212 HydrophobicContact SD-CE2 3.46Å; M186-F212 WeakPolarHBondContact SD-CE2 3.42Å; M186-F212 HydrophobicContact SD-CZ 3.48Å; M186-F212 WeakPolarHBondContact SD-CZ 3.31Å; F212-A222 CarbonylContact O-C 3.59Å; F212-A222 WeakPolarHBondContact O-CA 3.4Å; F212-A222 VanDerWaalsContact O-CB 3.3Å; F212-A222 WeakPolarHBondContact O-CB 3.07Å; F212-Y223 HydrophobicContact CB-CD1 3.86Å; F212-Y223 HydrophobicContact CB-CD2 3.72Å; F212-Y223 HydrophobicContact CB-CE1 3.71Å; F212-Y223 HydrophobicContact CB-CE2 3.58Å; F212-Y223 HydrophobicContact CB-CG 3.88Å; F212-Y223 HydrophobicContact CD1-CD2 4.49Å; F212-Y223 HydrophobicContact CD1-CE1 4.05Å; F212-Y223 AromaticContact CD1-CE2 3.52Å; F212-Y223 HydrophobicContact CD1-CE2 3.52Å; F212-Y223 AromaticContact CD1-CZ 3.26Å; F212-Y223 WeakPolarHBondContact CD1-OH 3.34Å; F212-Y223 HydrophobicContact CD2-CD2 4.07Å; F212-Y223 AromaticContact CD2-CE2 3.65Å; F212-Y223 HydrophobicContact CD2-CE2 3.65Å; F212-Y223 HydrophobicContact CE1-CE2 4.06Å; F212-Y223 AromaticContact CE1-CZ 3.95Å; F212-Y223 WeakPolarHBondContact CE1-OH 3.49Å; F212-Y223 HydrophobicContact CE2-CE2 4.23Å; F212-Y223 AromaticContact CG-CD2 3.84Å; F212-Y223 HydrophobicContact CG-CD2 3.84Å; F212-Y223 HydrophobicContact CG-CE1 4.09Å; F212-Y223 AromaticContact CG-CE2 3.27Å; F212-Y223 HydrophobicContact CG-CE2 3.27Å; F212-Y223 HydrophobicContact CG-CG 4.47Å; F212-Y223 AromaticContact CG-CZ 3.43Å; F212-Y223 VanDerWaalsContact CG-CZ 3.43Å; F212-Y223 HydrophobicContact CZ-CE2 4.4Å; F212-Y223 PolarHBondContact N-O 3.2Å; F212-Y223 PolarHBondContact O-N 3.13Å; F212-Y223 VanDerWaalsContact O-N 3.15Å; F212-V225 HydrophobicContact CD2-CG2 3.47Å; F212-V225 VanDerWaalsContact CD2-CG2 3.47Å; F212-V225 HydrophobicContact CE2-CB 4.28Å; F212-V225 HydrophobicContact CE2-CG2 3.27Å; F212-V225 HydrophobicContact CZ-CG2 4.23Å; F212-S293 CarbonylContact C-O 3.6Å; F212-S293 WeakPolarHBondContact CA-O 3.43Å; F212-V294 HydrophobicContact CD1-CG2 3.73Å; F212-V294 HydrophobicContact CD2-CG1 4.19Å; F212-V294 HydrophobicContact CD2-CG2 3.67Å; F212-V294 HydrophobicContact CE1-CG2 3.45Å; F212-V294 VanDerWaalsContact CE1-CG2 3.45Å; F212-V294 HydrophobicContact CE2-CB 4.3Å; F212-V294 HydrophobicContact CE2-CG1 3.96Å; F212-V294 HydrophobicContact CE2-CG2 3.3Å; F212-V294 HydrophobicContact CG-CG2 3.85Å; F212-V294 HydrophobicContact CZ-CG2 3.18Å
213	S	55.7	Low	49.4	Very low	36 Å²	36	55.1 Å²	55.1	25%	0.252	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.7	171.8	40.9	0	0	0	0	109.7	S293	S213-S293 PolarHBondContact N-O 2.73Å; S213-S293 PolarHBondContact O-N 2.72Å; S213-S293 PolarHBondContact O-OG 2.94Å; S213-S293 PolarHBondContact OG-OG 3.16Å
214	Y	52	Low	49.8	Very low	16 Å²	16	62.1 Å²	62.1	6%	0.063	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	152.9	163.4	-62.9	-73.2	0	0	0	110.2	R180 Q221 P290 V291 L292	R180-Y214 WeakPolarHBondContact CD-OH 3.41Å; R180-Y214 VanDerWaalsContact CZ-OH 3.27Å; R180-Y214 PolarHBondContact NE-OH 3.46Å; R180-Y214 VanDerWaalsContact NE-OH 3.12Å; Y214-Q221 HydrophobicContact CD2-CB 3.57Å; Y214-Q221 WeakPolarHBondContact CD2-O 3.48Å; Y214-Q221 HydrophobicContact CE2-CB 3.49Å; Y214-Q221 VanDerWaalsContact CE2-CB 3.49Å; Y214-P290 HydrophobicContact CD1-CB 3.88Å; Y214-P290 HydrophobicContact CD1-CG 3.63Å; Y214-P290 HydrophobicContact CG-CB 4.19Å; Y214-P290 HydrophobicContact CG-CG 3.89Å; Y214-V291 CarbonylContact C-O 3.54Å; Y214-L292 HydrophobicContact CD1-CD2 3.78Å; Y214-L292 HydrophobicContact CD1-CG 4.26Å; Y214-L292 HydrophobicContact CE1-CD2 3.41Å; Y214-L292 VanDerWaalsContact CE1-CD2 3.41Å; Y214-L292 HydrophobicContact CE1-CG 4.15Å
215	G	46.5	Very low	50	Low	15 Å²	15	60.4 Å²	60.4	16%	0.155	33%	0.334	C	S	.	.			trans	-59.7	177.5	176.5	0	0	0	0	0	112.3	C217 N218 V291	G215-C217 PolarHBondContact O-N 3.45Å; G215-N218 PolarHBondContact O-N 3.47Å; G215-V291 PolarHBondContact N-O 3.11Å
216	R	35.7	Very low	50.2	Low	246 Å²	246	60.1 Å²	60.1	93%	0.928	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-14.2	-171.2	-68.3	-172.4	-177	165.2	7.3	116.5
217	C	28.1	Very low	50.2	Low	123 Å²	123	58.9 Å²	58.9	83%	0.831	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.3	177.8	-55.3	0	0	0	0	114.5	G215	G215-C217 PolarHBondContact O-N 3.45Å
218	N	38.1	Very low	50	Low	40 Å²	40	60.9 Å²	60.9	21%	0.214	34%	0.341	C	S	.	.			trans	-148.4	74	176.2	-164.5	1.4	0	0	0	113.8	G215 L220 Q221 P290	G215-N218 PolarHBondContact O-N 3.47Å; N218-L220 PolarHBondContact O-N 2.59Å; N218-L220 VanDerWaalsContact O-N 3.16Å; N218-Q221 PolarHBondContact ND2-OE1 3.11Å; N218-P290 HydrophobicContact CB-CG 4.27Å
219	P	33.3	Very low	49.1	Very low	108 Å²	108	62.2 Å²	62.2	70%	0.701	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-3.9	-176.5	30.8	-36.9	0	0	0	115.1
220	L	38.5	Very low	48.6	Very low	160 Å²	160	60 Å²	60	84%	0.838	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-10.1	-173.6	-73	171.1	0	0	0	114.5	N218	N218-L220 PolarHBondContact O-N 2.59Å; N218-L220 VanDerWaalsContact O-N 3.16Å
221	Q	51.1	Low	47.6	Very low	56 Å²	56	62.2 Å²	62.2	26%	0.262	34%	0.343	S	S	.	.			trans	-114.8	102.2	178.5	-65.6	174.6	-8.9	0	0	108.9	Y214 N218	Y214-Q221 HydrophobicContact CD2-CB 3.57Å; Y214-Q221 WeakPolarHBondContact CD2-O 3.48Å; Y214-Q221 HydrophobicContact CE2-CB 3.49Å; Y214-Q221 VanDerWaalsContact CE2-CB 3.49Å; N218-Q221 PolarHBondContact ND2-OE1 3.11Å
222	A	53.6	Low	46.6	Very low	59 Å²	59	60.6 Å²	60.6	49%	0.488	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	122.4	172.2	0	0	0	0	0	108.7	T211 F212	T211-A222 HydrophobicContact CG2-CB 4.16Å; F212-A222 CarbonylContact O-C 3.59Å; F212-A222 WeakPolarHBondContact O-CA 3.4Å; F212-A222 VanDerWaalsContact O-CB 3.3Å; F212-A222 WeakPolarHBondContact O-CB 3.07Å
223	Y	58.4	Low	45.6	Very low	4 Å²	4	61.7 Å²	61.7	2%	0.016	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.4	-178.2	60.6	-95.4	0	0	0	111.9	R180 F212 V225 P315 E316 V318	R180-Y223 WeakPolarHBondContact CB-OH 3.3Å; F212-Y223 HydrophobicContact CB-CD1 3.86Å; F212-Y223 HydrophobicContact CB-CD2 3.72Å; F212-Y223 HydrophobicContact CB-CE1 3.71Å; F212-Y223 HydrophobicContact CB-CE2 3.58Å; F212-Y223 HydrophobicContact CB-CG 3.88Å; F212-Y223 HydrophobicContact CD1-CD2 4.49Å; F212-Y223 HydrophobicContact CD1-CE1 4.05Å; F212-Y223 AromaticContact CD1-CE2 3.52Å; F212-Y223 HydrophobicContact CD1-CE2 3.52Å; F212-Y223 AromaticContact CD1-CZ 3.26Å; F212-Y223 WeakPolarHBondContact CD1-OH 3.34Å; F212-Y223 HydrophobicContact CD2-CD2 4.07Å; F212-Y223 AromaticContact CD2-CE2 3.65Å; F212-Y223 HydrophobicContact CD2-CE2 3.65Å; F212-Y223 HydrophobicContact CE1-CE2 4.06Å; F212-Y223 AromaticContact CE1-CZ 3.95Å; F212-Y223 WeakPolarHBondContact CE1-OH 3.49Å; F212-Y223 HydrophobicContact CE2-CE2 4.23Å; F212-Y223 AromaticContact CG-CD2 3.84Å; F212-Y223 HydrophobicContact CG-CD2 3.84Å; F212-Y223 HydrophobicContact CG-CE1 4.09Å; F212-Y223 AromaticContact CG-CE2 3.27Å; F212-Y223 HydrophobicContact CG-CE2 3.27Å; F212-Y223 HydrophobicContact CG-CG 4.47Å; F212-Y223 AromaticContact CG-CZ 3.43Å; F212-Y223 VanDerWaalsContact CG-CZ 3.43Å; F212-Y223 HydrophobicContact CZ-CE2 4.4Å; F212-Y223 PolarHBondContact N-O 3.2Å; F212-Y223 PolarHBondContact O-N 3.13Å; F212-Y223 VanDerWaalsContact O-N 3.15Å; Y223-V225 HydrophobicContact CD2-CG2 4.23Å; Y223-V225 HydrophobicContact CE2-CG2 4.19Å; Y223-P315 VanDerWaalsContact CB-O 3.32Å; Y223-P315 WeakPolarHBondContact CB-O 3.41Å; Y223-E316 VanDerWaalsContact CA-O 3.27Å; Y223-E316 WeakPolarHBondContact CA-O 3.13Å; Y223-E316 WeakPolarHBondContact CB-O 3.44Å; Y223-V318 HydrophobicContact CD2-CG2 3.68Å; Y223-V318 HydrophobicContact CE2-CG2 3.84Å
224	R	57.9	Low	45.2	Very low	150 Å²	150	62.1 Å²	62.1	57%	0.566	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.3	176.9	-67.3	-173.7	-178.4	-177.8	1.8	109.8	E316 V318	R224-E316 PolarHBondContact N-O 3Å; R224-V318 PolarHBondContact O-N 3.14Å
225	V	56.2	Low	44.9	Very low	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	108.3	169.4	176	0	0	0	0	108.4	L181 M186 G209 G210 F212 Y223 V318 F320	L181-V225 HydrophobicContact CD2-CG2 4.34Å; M186-V225 HydrophobicContact CE-CG1 3.98Å; M186-V225 HydrophobicContact SD-CG1 4.48Å; G209-V225 WeakPolarHBondContact CA-O 3.22Å; G209-V225 PolarHBondContact N-O 3.24Å; G210-V225 PolarHBondContact O-N 3.43Å; G210-V225 VanDerWaalsContact O-N 3.15Å; F212-V225 HydrophobicContact CD2-CG2 3.47Å; F212-V225 VanDerWaalsContact CD2-CG2 3.47Å; F212-V225 HydrophobicContact CE2-CB 4.28Å; F212-V225 HydrophobicContact CE2-CG2 3.27Å; F212-V225 HydrophobicContact CZ-CG2 4.23Å; Y223-V225 HydrophobicContact CD2-CG2 4.23Å; Y223-V225 HydrophobicContact CE2-CG2 4.19Å; V225-V318 HydrophobicContact CG2-CB 4.1Å; V225-V318 HydrophobicContact CG2-CG2 4.38Å; V225-F320 HydrophobicContact CG1-CD2 3.67Å; V225-F320 HydrophobicContact CG1-CE2 3.48Å; V225-F320 VanDerWaalsContact CG1-CE2 3.48Å
226	N	54.4	Low	44.8	Very low	60 Å²	60	61.3 Å²	61.3	32%	0.321	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	163.7	175.9	-65.1	-27	0	0	0	110	V318 L319 F320	N226-V318 PolarHBondContact N-O 2.95Å; N226-L319 HydrophobicContact CB-CD1 3.84Å; N226-F320 PolarHBondContact O-N 3.46Å
227	A	47.9	Very low	45.4	Very low	39 Å²	39	54 Å²	54	32%	0.322	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.4	165.7	0	0	0	0	0	110.9	V208 W271 F320	V208-A227 HydrophobicContact CG1-CB 3.37Å; A227-W271 HydrophobicContact CB-CH2 3.33Å; A227-W271 HydrophobicContact CB-CZ3 3.42Å; A227-W271 VanDerWaalsContact CB-CZ3 3.42Å; A227-F320 CarbonylContact C-O 3.55Å; A227-F320 VanDerWaalsContact CA-O 3.25Å; A227-F320 WeakPolarHBondContact CA-O 3.41Å; A227-F320 HydrophobicContact CB-CB 3.84Å
228	I	44.5	Very low	46.3	Very low	43 Å²	43	48.5 Å²	48.5	22%	0.221	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	144.8	-176.1	-162.1	158.8	0	0	0	109	N248 F249 L319 F320 V321 L322	I228-N248 HydrophobicContact CD1-CB 4.36Å; I228-F249 HydrophobicContact CB-CE2 4.38Å; I228-F249 HydrophobicContact CB-CZ 4.01Å; I228-F249 HydrophobicContact CD1-CD2 3.76Å; I228-F249 HydrophobicContact CD1-CE1 4.43Å; I228-F249 HydrophobicContact CD1-CE2 3.13Å; I228-F249 HydrophobicContact CD1-CZ 3.52Å; I228-F249 HydrophobicContact CG1-CD2 4.46Å; I228-F249 HydrophobicContact CG1-CE2 3.39Å; I228-F249 HydrophobicContact CG1-CZ 3.49Å; I228-F249 VanDerWaalsContact CG1-CZ 3.49Å; I228-F249 HydrophobicContact CG2-CE1 3.94Å; I228-F249 HydrophobicContact CG2-CE2 4.21Å; I228-F249 HydrophobicContact CG2-CZ 3.38Å; I228-L319 HydrophobicContact CB-CD1 4.13Å; I228-L319 HydrophobicContact CG2-CD1 3.65Å; I228-L319 HydrophobicContact CG2-CD2 4.05Å; I228-L319 HydrophobicContact CG2-CG 3.87Å; I228-F320 PolarHBondContact N-O 2.94Å; I228-V321 HydrophobicContact CG2-CG2 4.03Å; I228-L322 PolarHBondContact O-N 3Å
229	A	40	Very low	46.8	Very low	43 Å²	43	49 Å²	49	36%	0.355	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.8	-177.3	0	0	0	0	0	111	L322	A229-L322 HydrophobicContact CB-CB 3.97Å; A229-L322 HydrophobicContact CB-CD2 4Å
230	I	43.8	Very low	47.3	Very low	5 Å²	5	46.1 Å²	46.1	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.3	-179.8	47	-179.9	0	0	0	112.2	L234 Y235 F249 V321 L322 D324	I230-L234 HydrophobicContact CG2-CD2 4.02Å; I230-Y235 VanDerWaalsContact CD1-CB 3.4Å; I230-Y235 HydrophobicContact CD1-CD2 3.69Å; I230-Y235 HydrophobicContact CD1-CG 3.94Å; I230-F249 HydrophobicContact CB-CZ 4.2Å; I230-F249 HydrophobicContact CD1-CD1 4.48Å; I230-F249 HydrophobicContact CD1-CE1 3.61Å; I230-F249 HydrophobicContact CD1-CZ 3.77Å; I230-F249 HydrophobicContact CG1-CE1 4.45Å; I230-F249 HydrophobicContact CG1-CZ 4.13Å; I230-F249 HydrophobicContact CG2-CD2 4.08Å; I230-F249 HydrophobicContact CG2-CE1 3.95Å; I230-F249 HydrophobicContact CG2-CE2 3.19Å; I230-F249 HydrophobicContact CG2-CZ 3.13Å; I230-V321 HydrophobicContact CD1-CG1 3.44Å; I230-V321 VanDerWaalsContact CD1-CG1 3.44Å; I230-V321 HydrophobicContact CG1-CG1 3.71Å; I230-L322 PolarHBondContact N-O 3.3Å; I230-D324 WeakPolarHBondContact O-CB 3.28Å; I230-D324 PolarHBondContact O-N 2.67Å
231	P	39.9	Very low	47.5	Very low	47 Å²	47	41.3 Å²	41.3	31%	0.305	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	138.8	161.3	-24.2	35.3	0	0	0	110.9	D233 L234 Y235	P231-D233 WeakPolarHBondContact CB-OD1 3.37Å; P231-D233 PolarHBondContact O-N 3.22Å; P231-L234 HydrophobicContact CB-CB 4.13Å; P231-L234 HydrophobicContact CG-CB 4.37Å; P231-L234 WeakPolarHBondContact O-CA 3.26Å; P231-L234 WeakPolarHBondContact O-CB 3.28Å; P231-L234 PolarHBondContact O-N 2.85Å; P231-Y235 PolarHBondContact O-N 3.04Å
232	L	41.9	Very low	47.1	Very low	22 Å²	22	44.2 Å²	44.2	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-57.8	-33.3	178.4	178.7	58.6	0	0	0	112.5	L154 Y235 V236 L323 D324	L154-L232 HydrophobicContact CD1-CD2 3.85Å; L154-L232 HydrophobicContact CD1-CG 4.11Å; L232-Y235 HydrophobicContact CD1-CD1 4.24Å; L232-V236 WeakPolarHBondContact O-CB 3.31Å; L232-V236 WeakPolarHBondContact O-CG2 3.35Å; L232-V236 PolarHBondContact O-N 2.88Å; L232-L323 HydrophobicContact CD1-CD1 4.28Å; L232-L323 HydrophobicContact CD1-CD2 4.28Å; L232-D324 WeakPolarHBondContact CB-O 3.31Å; L232-D324 PolarHBondContact N-O 3.4Å
233	D	40.7	Very low	46.7	Very low	24 Å²	24	43 Å²	43	13%	0.128	24%	0.244	C	C	.	.	H	α-helix	trans	-68.8	-35.9	173.6	71.8	-59.7	0	0	0	111.9	P231 V236 Y237 K328	P231-D233 WeakPolarHBondContact CB-OD1 3.37Å; P231-D233 PolarHBondContact O-N 3.22Å; D233-V236 WeakPolarHBondContact O-CB 3.41Å; D233-V236 PolarHBondContact O-N 2.81Å; D233-Y237 HydrophobicContact CB-CD2 4.35Å; D233-Y237 HydrophobicContact CB-CE2 4.15Å; D233-Y237 WeakPolarHBondContact O-CD2 3.07Å; D233-Y237 PolarHBondContact O-N 3.46Å; D233-K328 WeakPolarHBondContact OD2-CD 3.42Å; D233-K328 WeakPolarHBondContact OD2-CE 3.5Å; D233-K328 WeakPolarHBondContact OD2-CG 3.46Å; D233-K328 IonicContact OD2-NZ 2.65Å; D233-K328 PolarHBondContact OD2-NZ 3.15Å
234	L	46.7	Very low	46	Very low	45 Å²	45	50 Å²	50	24%	0.236	28%	0.282	C	S	.	.	H	α-helix	trans	-67.4	-43.7	176.8	-163.6	68.6	0	0	0	111.7	I230 P231 V236 Y237 T238 L246	I230-L234 HydrophobicContact CG2-CD2 4.02Å; P231-L234 HydrophobicContact CB-CB 4.13Å; P231-L234 HydrophobicContact CG-CB 4.37Å; P231-L234 WeakPolarHBondContact O-CA 3.26Å; P231-L234 WeakPolarHBondContact O-CB 3.28Å; P231-L234 PolarHBondContact O-N 2.85Å; L234-V236 PolarHBondContact O-N 3.35Å; L234-Y237 PolarHBondContact O-N 3.42Å; L234-T238 WeakPolarHBondContact O-CB 3.07Å; L234-T238 PolarHBondContact O-N 3.09Å; L234-T238 PolarHBondContact O-OG1 3.24Å; L234-L246 HydrophobicContact CD1-CD1 3.84Å; L234-L246 HydrophobicContact CD2-CD1 4.26Å; L234-L246 HydrophobicContact CG-CD1 4.05Å
235	Y	46.8	Very low	45.3	Very low	1 Å²	1	49 Å²	49	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-50.6	-43.9	171.2	-179.5	-130.3	0	0	0	111.5	L161 I230 P231 L232 Y239 W254 V321 L323	L161-Y235 HydrophobicContact CD1-CD1 3.61Å; L161-Y235 HydrophobicContact CD1-CE1 3.49Å; L161-Y235 VanDerWaalsContact CD1-CE1 3.49Å; L161-Y235 HydrophobicContact CD2-CD1 4Å; L161-Y235 HydrophobicContact CD2-CE1 3.33Å; L161-Y235 HydrophobicContact CD2-CE2 4.42Å; L161-Y235 HydrophobicContact CG-CD1 4.47Å; L161-Y235 HydrophobicContact CG-CE1 4.05Å; I230-Y235 VanDerWaalsContact CD1-CB 3.4Å; I230-Y235 HydrophobicContact CD1-CD2 3.69Å; I230-Y235 HydrophobicContact CD1-CG 3.94Å; P231-Y235 PolarHBondContact O-N 3.04Å; L232-Y235 HydrophobicContact CD1-CD1 4.24Å; Y235-Y239 WeakPolarHBondContact O-CB 3.2Å; Y235-Y239 PolarHBondContact O-N 3.1Å; Y235-W254 AromaticContact CD2-CH2 3.86Å; Y235-W254 HydrophobicContact CD2-CH2 3.86Å; Y235-W254 HydrophobicContact CD2-CZ3 4.5Å; Y235-W254 AromaticContact CE2-CH2 3.62Å; Y235-W254 HydrophobicContact CE2-CH2 3.62Å; Y235-W254 AromaticContact CE2-CZ3 3.99Å; Y235-W254 HydrophobicContact CE2-CZ3 3.99Å; Y235-V321 HydrophobicContact CD2-CG1 4Å; Y235-V321 HydrophobicContact CE2-CG1 4.13Å; Y235-L323 HydrophobicContact CD1-CD1 4.29Å; Y235-L323 HydrophobicContact CD1-CD2 3.3Å; Y235-L323 HydrophobicContact CD1-CG 4.45Å; Y235-L323 HydrophobicContact CD2-CD2 4.03Å; Y235-L323 HydrophobicContact CE1-CD1 4.1Å; Y235-L323 HydrophobicContact CE1-CD2 3.74Å; Y235-L323 HydrophobicContact CE2-CD2 4.42Å; Y235-L323 HydrophobicContact CG-CD2 3.45Å; Y235-L323 VanDerWaalsContact CG-CD2 3.45Å
236	V	43.6	Very low	44.7	Very low	13 Å²	13	52 Å²	52	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-70.7	-46.3	-178.1	162.8	0	0	0	0	111.8	T157 L161 L232 D233 L234 T238 Y239 C240	T157-V236 HydrophobicContact CG2-CB 3.73Å; T157-V236 HydrophobicContact CG2-CG1 3.28Å; T157-V236 HydrophobicContact CG2-CG2 3.07Å; L161-V236 HydrophobicContact CD1-CG2 3.65Å; L232-V236 WeakPolarHBondContact O-CB 3.31Å; L232-V236 WeakPolarHBondContact O-CG2 3.35Å; L232-V236 PolarHBondContact O-N 2.88Å; D233-V236 WeakPolarHBondContact O-CB 3.41Å; D233-V236 PolarHBondContact O-N 2.81Å; L234-V236 PolarHBondContact O-N 3.35Å; V236-T238 VanDerWaalsContact C-N 3.34Å; V236-Y239 PolarHBondContact O-N 2.84Å; V236-C240 VanDerWaalsContact O-CB 3.24Å; V236-C240 WeakPolarHBondContact O-CB 3.23Å; V236-C240 PolarHBondContact O-N 3.04Å; V236-C240 PolarHBondContact O-SG 3.33Å
237	Y	47.7	Very low	44.3	Very low	91 Å²	91	55.4 Å²	55.4	36%	0.357	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-46	175.9	-76.7	-65	0	0	0	110.3	D233 L234 C240 G241 L242 A243	D233-Y237 HydrophobicContact CB-CD2 4.35Å; D233-Y237 HydrophobicContact CB-CE2 4.15Å; D233-Y237 WeakPolarHBondContact O-CD2 3.07Å; D233-Y237 PolarHBondContact O-N 3.46Å; L234-Y237 PolarHBondContact O-N 3.42Å; Y237-C240 PolarHBondContact O-N 3.26Å; Y237-G241 PolarHBondContact O-N 3.05Å; Y237-L242 HydrophobicContact CD1-CB 3.87Å; Y237-L242 CarbonylContact O-C 3.58Å; Y237-L242 WeakPolarHBondContact O-CA 3.14Å; Y237-L242 PolarHBondContact O-N 2.97Å; Y237-A243 PolarHBondContact O-N 2.77Å
238	T	48.2	Very low	44	Very low	9 Å²	9	57.8 Å²	57.8	6%	0.055	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-52.2	176.3	-57.6	0	0	0	0	111.8	L234 V236 C240 G241 F249	L234-T238 WeakPolarHBondContact O-CB 3.07Å; L234-T238 PolarHBondContact O-N 3.09Å; L234-T238 PolarHBondContact O-OG1 3.24Å; V236-T238 VanDerWaalsContact C-N 3.34Å; T238-C240 VanDerWaalsContact C-N 3.28Å; T238-C240 PolarHBondContact O-N 2.97Å; T238-G241 PolarHBondContact O-N 2.95Å; T238-F249 HydrophobicContact CG2-CB 4.35Å; T238-F249 WeakPolarHBondContact CG2-O 3.39Å
239	Y	47.7	Very low	44.1	Very low	50 Å²	50	56.6 Å²	56.6	20%	0.196	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-29.2	-177.5	-166.5	-98.3	0	0	0	113.5	L161 G164 L165 S168 Y235 V236 G241 W254	L161-Y239 HydrophobicContact CD2-CD1 3.42Å; L161-Y239 VanDerWaalsContact CD2-CD1 3.42Å; L161-Y239 HydrophobicContact CD2-CD2 4.08Å; L161-Y239 HydrophobicContact CD2-CE1 3.85Å; L161-Y239 HydrophobicContact CD2-CE2 4.47Å; L161-Y239 HydrophobicContact CD2-CG 3.55Å; L161-Y239 HydrophobicContact CG-CD1 4.08Å; G164-Y239 WeakPolarHBondContact CA-OH 3.49Å; G164-Y239 PolarHBondContact O-OH 3.01Å; L165-Y239 HydrophobicContact CD2-CE2 4.32Å; L165-Y239 PolarHBondContact N-OH 2.79Å; L165-Y239 VanDerWaalsContact N-OH 3.09Å; S168-Y239 PolarHBondContact OG-OH 3.22Å; Y235-Y239 WeakPolarHBondContact O-CB 3.2Å; Y235-Y239 PolarHBondContact O-N 3.1Å; V236-Y239 PolarHBondContact O-N 2.84Å; Y239-G241 VanDerWaalsContact C-N 3.3Å; Y239-W254 HydrophobicContact CD2-CZ3 4.02Å
240	C	43.7	Very low	44.4	Very low	47 Å²	47	55.3 Å²	55.3	32%	0.318	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	0.5	174.7	-63.8	0	0	0	0	113.9	V236 Y237 T238 L242	V236-C240 VanDerWaalsContact O-CB 3.24Å; V236-C240 WeakPolarHBondContact O-CB 3.23Å; V236-C240 PolarHBondContact O-N 3.04Å; V236-C240 PolarHBondContact O-SG 3.33Å; Y237-C240 PolarHBondContact O-N 3.26Å; T238-C240 VanDerWaalsContact C-N 3.28Å; T238-C240 PolarHBondContact O-N 2.97Å; C240-L242 VanDerWaalsContact C-N 3.28Å; C240-L242 HydrophobicContact CB-CB 4.42Å; C240-L242 HydrophobicContact CB-CD1 3.77Å; C240-L242 HydrophobicContact CB-CG 3.88Å; C240-L242 PolarHBondContact O-N 3.08Å
241	G	43.6	Very low	44.3	Very low	60 Å²	60	60.3 Å²	60.3	62%	0.619	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	28.2	-173.8	0	0	0	0	0	113.7	Y237 T238 Y239	Y237-G241 PolarHBondContact O-N 3.05Å; T238-G241 PolarHBondContact O-N 2.95Å; Y239-G241 VanDerWaalsContact C-N 3.3Å
242	L	42.9	Very low	44.6	Very low	116 Å²	116	66.1 Å²	66.1	61%	0.607	36%	0.36	S	S	*	.			trans	-113.7	-2.1	-175.8	-64.3	176	0	0	0	113.6	Y237 C240	Y237-L242 HydrophobicContact CD1-CB 3.87Å; Y237-L242 CarbonylContact O-C 3.58Å; Y237-L242 WeakPolarHBondContact O-CA 3.14Å; Y237-L242 PolarHBondContact O-N 2.97Å; C240-L242 VanDerWaalsContact C-N 3.28Å; C240-L242 HydrophobicContact CB-CB 4.42Å; C240-L242 HydrophobicContact CB-CD1 3.77Å; C240-L242 HydrophobicContact CB-CG 3.88Å; C240-L242 PolarHBondContact O-N 3.08Å
243	A	43.7	Very low	45	Very low	34 Å²	34	69.3 Å²	69.3	28%	0.281	37%	0.371	S	S	.	.	S	Bend	trans	-89	143.9	169.8	0	0	0	0	0	110.1	Y237 L246	Y237-A243 PolarHBondContact O-N 2.77Å; A243-L246 HydrophobicContact CB-CD1 3.87Å
244	D	43.6	Very low	45.5	Very low	150 Å²	150	70.1 Å²	70.1	80%	0.802	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-59.7	161.1	160.1	-60.5	-51.6	0	0	0	109.9	L246	D244-L246 WeakPolarHBondContact O-CG 3.21Å; D244-L246 PolarHBondContact O-N 2.83Å
245	D	43.7	Very low	45.6	Very low	130 Å²	130	72.3 Å²	72.3	70%	0.695	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-60	129.1	-175.1	-157.8	0.3	0	0	0	112.3	S250	D245-S250 WeakPolarHBondContact OD1-CB 3.35Å
246	L	43.2	Very low	45.4	Very low	62 Å²	62	79.8 Å²	79.8	33%	0.325	42%	0.417	S	S	.	.			trans	-122.3	35	-167.8	-78.8	161.6	0	0	0	112.4	L234 A243 D244 N248 F249	L234-L246 HydrophobicContact CD1-CD1 3.84Å; L234-L246 HydrophobicContact CD2-CD1 4.26Å; L234-L246 HydrophobicContact CG-CD1 4.05Å; A243-L246 HydrophobicContact CB-CD1 3.87Å; D244-L246 WeakPolarHBondContact O-CG 3.21Å; D244-L246 PolarHBondContact O-N 2.83Å; L246-N248 PolarHBondContact O-N 3.07Å; L246-F249 HydrophobicContact CB-CB 3.59Å; L246-F249 HydrophobicContact CD1-CB 4.49Å; L246-F249 PolarHBondContact O-N 3.26Å
247	D	47.5	Very low	45.6	Very low	132 Å²	132	80.4 Å²	80.4	71%	0.706	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	49.7	-98.5	-177.5	-66.6	-38.3	0	0	0	112.3	F249 S250	D247-F249 PolarHBondContact O-N 3.02Å; D247-S250 PolarHBondContact O-N 2.96Å; D247-S250 VanDerWaalsContact O-N 3.13Å
248	N	41	Very low	45.7	Very low	89 Å²	89	76.6 Å²	76.6	48%	0.476	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-69.6	-0.2	-179.8	-55.6	-62.4	0	0	0	114	I228 L246	I228-N248 HydrophobicContact CD1-CB 4.36Å; L246-N248 PolarHBondContact O-N 3.07Å
249	F	45.4	Very low	45.9	Very low	18 Å²	18	76.2 Å²	76.2	8%	0.079	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-118.6	7.2	175.6	-87.2	-68.5	0	0	0	113.6	I228 I230 T238 L246 D247 W254	I228-F249 HydrophobicContact CB-CE2 4.38Å; I228-F249 HydrophobicContact CB-CZ 4.01Å; I228-F249 HydrophobicContact CD1-CD2 3.76Å; I228-F249 HydrophobicContact CD1-CE1 4.43Å; I228-F249 HydrophobicContact CD1-CE2 3.13Å; I228-F249 HydrophobicContact CD1-CZ 3.52Å; I228-F249 HydrophobicContact CG1-CD2 4.46Å; I228-F249 HydrophobicContact CG1-CE2 3.39Å; I228-F249 HydrophobicContact CG1-CZ 3.49Å; I228-F249 VanDerWaalsContact CG1-CZ 3.49Å; I228-F249 HydrophobicContact CG2-CE1 3.94Å; I228-F249 HydrophobicContact CG2-CE2 4.21Å; I228-F249 HydrophobicContact CG2-CZ 3.38Å; I230-F249 HydrophobicContact CB-CZ 4.2Å; I230-F249 HydrophobicContact CD1-CD1 4.48Å; I230-F249 HydrophobicContact CD1-CE1 3.61Å; I230-F249 HydrophobicContact CD1-CZ 3.77Å; I230-F249 HydrophobicContact CG1-CE1 4.45Å; I230-F249 HydrophobicContact CG1-CZ 4.13Å; I230-F249 HydrophobicContact CG2-CD2 4.08Å; I230-F249 HydrophobicContact CG2-CE1 3.95Å; I230-F249 HydrophobicContact CG2-CE2 3.19Å; I230-F249 HydrophobicContact CG2-CZ 3.13Å; T238-F249 HydrophobicContact CG2-CB 4.35Å; T238-F249 WeakPolarHBondContact CG2-O 3.39Å; L246-F249 HydrophobicContact CB-CB 3.59Å; L246-F249 HydrophobicContact CD1-CB 4.49Å; L246-F249 PolarHBondContact O-N 3.26Å; D247-F249 PolarHBondContact O-N 3.02Å; F249-W254 AromaticContact CD1-CZ2 3.57Å; F249-W254 HydrophobicContact CD1-CZ2 3.57Å; F249-W254 HydrophobicContact CE1-CH2 4.49Å; F249-W254 AromaticContact CE1-CZ2 3.64Å; F249-W254 HydrophobicContact CE1-CZ2 3.64Å
250	S	47.2	Very low	46.1	Very low	16 Å²	16	74.4 Å²	74.4	11%	0.112	40%	0.4	C	S	.	.	S	Bend	trans	-57.5	146.8	172.5	79.5	0	0	0	0	110	D245 D247 E252 Y253	D245-S250 WeakPolarHBondContact OD1-CB 3.35Å; D247-S250 PolarHBondContact O-N 2.96Å; D247-S250 VanDerWaalsContact O-N 3.13Å; S250-E252 PolarHBondContact O-N 3.2Å; S250-E252 VanDerWaalsContact O-N 3.17Å; S250-Y253 WeakPolarHBondContact O-CA 3.35Å; S250-Y253 VanDerWaalsContact O-CB 3.25Å; S250-Y253 WeakPolarHBondContact O-CB 3.49Å; S250-Y253 PolarHBondContact O-N 3.16Å; S250-Y253 PolarHBondContact OG-N 3.17Å
251	L	42.4	Very low	46.5	Very low	111 Å²	111	72.4 Å²	72.4	58%	0.581	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-63.1	-23.2	179	-154.5	115.3	0	0	0	111.4	Y253 W254	L251-Y253 VanDerWaalsContact C-N 3.35Å; L251-W254 PolarHBondContact O-N 2.82Å
252	E	45.5	Very low	46.8	Very low	168 Å²	168	69.6 Å²	69.6	79%	0.785	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-69.1	-29.4	171.6	-55.1	-173.5	164.6	0	0	112.7	S250 W254	S250-E252 PolarHBondContact O-N 3.2Å; S250-E252 VanDerWaalsContact O-N 3.17Å; E252-W254 PolarHBondContact O-N 3.16Å
253	Y	49.7	Very low	47	Very low	90 Å²	90	64.1 Å²	64.1	35%	0.353	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-73.7	-9.4	174.3	-136	-89.6	0	0	0	112.9	S250 L251 V258 R317	S250-Y253 WeakPolarHBondContact O-CA 3.35Å; S250-Y253 VanDerWaalsContact O-CB 3.25Å; S250-Y253 WeakPolarHBondContact O-CB 3.49Å; S250-Y253 PolarHBondContact O-N 3.16Å; S250-Y253 PolarHBondContact OG-N 3.17Å; L251-Y253 VanDerWaalsContact C-N 3.35Å; Y253-V258 WeakPolarHBondContact O-CG2 3.35Å; Y253-R317 PolarHBondContact OH-NH1 2.95Å
254	W	51.8	Low	46.9	Very low	41 Å²	41	68.3 Å²	68.3	16%	0.155	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-112.3	40.8	-176.6	-71.4	26.7	0	0	0	110.7	Y235 Y239 F249 L251 E252 V260 L319 V321	Y235-W254 AromaticContact CD2-CH2 3.86Å; Y235-W254 HydrophobicContact CD2-CH2 3.86Å; Y235-W254 HydrophobicContact CD2-CZ3 4.5Å; Y235-W254 AromaticContact CE2-CH2 3.62Å; Y235-W254 HydrophobicContact CE2-CH2 3.62Å; Y235-W254 AromaticContact CE2-CZ3 3.99Å; Y235-W254 HydrophobicContact CE2-CZ3 3.99Å; Y239-W254 HydrophobicContact CD2-CZ3 4.02Å; F249-W254 AromaticContact CD1-CZ2 3.57Å; F249-W254 HydrophobicContact CD1-CZ2 3.57Å; F249-W254 HydrophobicContact CE1-CH2 4.49Å; F249-W254 AromaticContact CE1-CZ2 3.64Å; F249-W254 HydrophobicContact CE1-CZ2 3.64Å; L251-W254 PolarHBondContact O-N 2.82Å; E252-W254 PolarHBondContact O-N 3.16Å; W254-V260 HydrophobicContact CD2-CG2 4.09Å; W254-V260 HydrophobicContact CE3-CG2 4.11Å; W254-V260 HydrophobicContact CG-CG2 4.49Å; W254-V260 HydrophobicContact CH2-CG1 4.09Å; W254-V260 HydrophobicContact CZ2-CG1 4.45Å; W254-V260 HydrophobicContact CZ3-CG1 4.13Å; W254-V260 HydrophobicContact CZ3-CG2 4.48Å; W254-L319 HydrophobicContact CZ2-CD2 4.36Å; W254-V321 HydrophobicContact CH2-CG2 4.45Å; W254-V321 HydrophobicContact CZ2-CG2 4.27Å
255	D	49.5	Very low	46.7	Very low	90 Å²	90	63.7 Å²	63.7	48%	0.481	31%	0.314	S	S	.	.	S	Bend	trans	-71.6	-176.4	177.9	76.9	12.3	0	0	0	112.9	S257 V258	D255-S257 PolarHBondContact O-N 3.38Å; D255-S257 WeakPolarHBondContact OD1-CA 3.11Å; D255-S257 WeakPolarHBondContact OD1-CB 3.28Å; D255-S257 PolarHBondContact OD1-N 3.35Å; D255-S257 PolarHBondContact OD1-OG 2.91Å; D255-V258 PolarHBondContact O-N 2.89Å; D255-V258 VanDerWaalsContact O-N 3.13Å
256	K	41.5	Very low	46.4	Very low	158 Å²	158	58.9 Å²	58.9	69%	0.687	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-4.1	-177.8	-60.4	178	-176.1	173.9	0	114.5
257	S	48.7	Very low	46	Very low	26 Å²	26	62 Å²	62	18%	0.182	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-5.5	176.7	78.2	0	0	0	0	113.6	D255 P315 E316 R317	D255-S257 PolarHBondContact O-N 3.38Å; D255-S257 WeakPolarHBondContact OD1-CA 3.11Å; D255-S257 WeakPolarHBondContact OD1-CB 3.28Å; D255-S257 PolarHBondContact OD1-N 3.35Å; D255-S257 PolarHBondContact OD1-OG 2.91Å; S257-P315 CarbonylContact O-C 3.53Å; S257-P315 VanDerWaalsContact O-CB 3.23Å; S257-P315 WeakPolarHBondContact O-CB 3.48Å; S257-E316 PolarHBondContact O-N 3.12Å; S257-R317 PolarHBondContact O-N 3Å; S257-R317 VanDerWaalsContact O-N 3.09Å
258	V	50.2	Low	45.2	Very low	11 Å²	11	63.2 Å²	63.2	7%	0.067	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116	-173.4	-171.1	0	0	0	0	111.9	Y253 D255 V260 R317 L319	Y253-V258 WeakPolarHBondContact O-CG2 3.35Å; D255-V258 PolarHBondContact O-N 2.89Å; D255-V258 VanDerWaalsContact O-N 3.13Å; V258-V260 HydrophobicContact CG1-CG2 4.23Å; V258-R317 WeakPolarHBondContact CA-O 3.5Å; V258-R317 HydrophobicContact CG1-CB 4.3Å; V258-R317 HydrophobicContact CG2-CB 4.22Å; V258-L319 HydrophobicContact CG1-CB 4.14Å
259	A	52	Low	44.7	Very low	1 Å²	1	60.7 Å²	60.7	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.8	169.1	0	0	0	0	0	110.6	P315 R317 V318 L319	A259-P315 HydrophobicContact CB-CB 4.41Å; A259-P315 HydrophobicContact CB-CG 3.98Å; A259-R317 PolarHBondContact N-O 2.99Å; A259-V318 HydrophobicContact CB-CG2 4.4Å; A259-V318 CarbonylContact O-C 3.58Å; A259-V318 WeakPolarHBondContact O-CA 3.48Å; A259-L319 PolarHBondContact O-N 2.81Å
260	V	50.9	Low	44.5	Very low	13 Å²	13	64.4 Å²	64.4	8%	0.079	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.7	-176.5	-179.7	0	0	0	0	110.2	W254 V258 P262 V321	W254-V260 HydrophobicContact CD2-CG2 4.09Å; W254-V260 HydrophobicContact CE3-CG2 4.11Å; W254-V260 HydrophobicContact CG-CG2 4.49Å; W254-V260 HydrophobicContact CH2-CG1 4.09Å; W254-V260 HydrophobicContact CZ2-CG1 4.45Å; W254-V260 HydrophobicContact CZ3-CG1 4.13Å; W254-V260 HydrophobicContact CZ3-CG2 4.48Å; V258-V260 HydrophobicContact CG1-CG2 4.23Å; V260-P262 WeakPolarHBondContact O-CD 3.37Å; V260-V321 HydrophobicContact CG1-CB 4.46Å; V260-V321 HydrophobicContact CG1-CG2 3.63Å
261	I	53.2	Low	44.6	Very low	4 Å²	4	66 Å²	66	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	101.8	-177.2	-54.9	179.3	0	0	0	109.7	Y173 V177 L181 I273 V318 L319 F320 V321	Y173-I261 HydrophobicContact CE2-CG1 4.26Å; V177-I261 HydrophobicContact CG1-CD1 4.36Å; L181-I261 HydrophobicContact CD1-CD1 3.53Å; I261-I273 HydrophobicContact CG2-CD1 3.48Å; I261-I273 VanDerWaalsContact CG2-CD1 3.48Å; I261-I273 HydrophobicContact CG2-CG1 3.95Å; I261-V318 HydrophobicContact CD1-CG1 3.63Å; I261-V318 HydrophobicContact CG1-CG1 4.14Å; I261-L319 PolarHBondContact N-O 3.48Å; I261-F320 HydrophobicContact CB-CD1 3.81Å; I261-F320 HydrophobicContact CB-CE1 3.9Å; I261-F320 HydrophobicContact CD1-CE1 4.02Å; I261-F320 HydrophobicContact CD1-CZ 4.3Å; I261-F320 HydrophobicContact CG2-CD1 3.83Å; I261-F320 HydrophobicContact CG2-CE1 3.66Å; I261-F320 CarbonylContact O-C 3.24Å; I261-F320 VanDerWaalsContact O-CA 3.29Å; I261-F320 WeakPolarHBondContact O-CA 3.29Å; I261-V321 PolarHBondContact O-N 3.33Å
262	P	49.5	Very low	44.6	Very low	2 Å²	2	62.4 Å²	62.4	1%	0.013	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	135	177.3	27.5	-31.7	0	0	0	111.7	V260 F277 V321 L323	V260-P262 WeakPolarHBondContact O-CD 3.37Å; P262-F277 HydrophobicContact CB-CE1 4.37Å; P262-F277 HydrophobicContact CB-CE2 4.32Å; P262-F277 HydrophobicContact CB-CZ 4.22Å; P262-F277 HydrophobicContact CG-CB 4.16Å; P262-F277 HydrophobicContact CG-CD1 3.28Å; P262-F277 HydrophobicContact CG-CD2 3.72Å; P262-F277 HydrophobicContact CG-CE1 3.39Å; P262-F277 HydrophobicContact CG-CE2 3.81Å; P262-F277 HydrophobicContact CG-CG 3.43Å; P262-F277 VanDerWaalsContact CG-CG 3.43Å; P262-F277 HydrophobicContact CG-CZ 3.65Å; P262-V321 CarbonylContact C-O 3.46Å; P262-V321 WeakPolarHBondContact CA-O 3.37Å; P262-L323 HydrophobicContact CB-CD1 3.79Å; P262-L323 HydrophobicContact CB-CG 4.18Å
263	V	47.1	Very low	44.6	Very low	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.8	-179	-86.6	0	0	0	0	110.9	V203 W271 L272 I273 F320 V321 L322 L323	V203-V263 HydrophobicContact CG2-CG1 3.6Å; V263-W271 HydrophobicContact CB-CB 4.3Å; V263-W271 HydrophobicContact CG1-CB 4.3Å; V263-W271 HydrophobicContact CG2-CE3 4.25Å; V263-L272 CarbonylContact C-O 3.48Å; V263-L272 WeakPolarHBondContact CA-O 3.36Å; V263-I273 HydrophobicContact CG1-CG1 3.64Å; V263-F320 HydrophobicContact CG1-CD1 3.93Å; V263-F320 HydrophobicContact CG1-CE1 4.42Å; V263-F320 HydrophobicContact CG2-CB 4.03Å; V263-F320 HydrophobicContact CG2-CD1 4.24Å; V263-V321 PolarHBondContact N-O 3.25Å; V263-L322 HydrophobicContact CB-CD1 4.34Å; V263-L322 HydrophobicContact CG2-CB 4.36Å; V263-L322 HydrophobicContact CG2-CD1 3.98Å; V263-L322 WeakPolarHBondContact O-CA 3.4Å; V263-L323 PolarHBondContact O-N 3.26Å
264	R	41.4	Very low	44.2	Very low	123 Å²	123	50.7 Å²	50.7	46%	0.464	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.3	171	-64.9	-177.1	177.4	-174.8	-1.8	109.1	W271 L272 P274	R264-W271 CarbonylContact O-C 3.59Å; R264-L272 PolarHBondContact N-O 2.82Å; R264-L272 PolarHBondContact O-N 3Å; R264-P274 HydrophobicContact CG-CG 4.05Å
265	T	39.3	Very low	43.3	Very low	52 Å²	52	52 Å²	52	32%	0.319	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131	163.4	47.2	0	0	0	0	109.6	L322	T265-L322 HydrophobicContact CG2-CD1 3.78Å; T265-L322 HydrophobicContact CG2-CD2 3.94Å; T265-L322 HydrophobicContact CG2-CG 4.24Å
266	T	38.5	Very low	42.5	Very low	29 Å²	29	52.1 Å²	52.1	18%	0.178	26%	0.264	C	S	.	.			trans	-71.1	165.4	159.6	59.8	0	0	0	0	110.8	F202 H268 G269 H270 L272	F202-T266 HydrophobicContact CE1-CG2 3.97Å; T266-H268 PolarHBondContact O-N 3.41Å; T266-H268 VanDerWaalsContact O-N 3.08Å; T266-G269 PolarHBondContact O-N 3.23Å; T266-H270 HydrophobicContact CG2-CB 4.5Å; T266-H270 PolarHBondContact N-O 2.82Å; T266-H270 WeakPolarHBondContact OG1-CB 3.3Å; T266-H270 PolarHBondContact OG1-N 3.23Å; T266-H270 VanDerWaalsContact OG1-N 3.13Å; T266-H270 PolarHBondContact OG1-O 2.99Å; T266-H270 VanDerWaalsContact OG1-O 3.05Å; T266-L272 HydrophobicContact CG2-CB 3.93Å; T266-L272 HydrophobicContact CG2-CD2 4.4Å
267	D	33.1	Very low	42.2	Very low	128 Å²	128	45.7 Å²	45.7	68%	0.684	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.9	173.5	-59	-25.3	0	0	0	112.8
268	H	31	Very low	41.6	Very low	157 Å²	157	45.6 Å²	45.6	73%	0.727	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	8	177.5	-56.5	-65.6	0	0	0	113.7	T266 H270	T266-H268 PolarHBondContact O-N 3.41Å; T266-H268 VanDerWaalsContact O-N 3.08Å; H268-H270 PolarHBondContact O-N 3.43Å
269	G	31.4	Very low	40.7	Very low	36 Å²	36	49.7 Å²	49.7	37%	0.371	26%	0.255	S	S	.	.	S	Bend	trans	79.8	-10.9	178.8	0	0	0	0	0	115.5	T266	T266-G269 PolarHBondContact O-N 3.23Å
270	H	41.3	Very low	39.5	Very low	97 Å²	97	51.6 Å²	51.6	45%	0.449	26%	0.264	S	S	.	.			trans	-62.9	142.4	172.8	-51	-61.5	0	0	0	111.2	F202 T266 H268	F202-H270 HydrophobicContact CD1-CB 3.67Å; F202-H270 HydrophobicContact CE1-CB 3.79Å; T266-H270 HydrophobicContact CG2-CB 4.5Å; T266-H270 PolarHBondContact N-O 2.82Å; T266-H270 WeakPolarHBondContact OG1-CB 3.3Å; T266-H270 PolarHBondContact OG1-N 3.23Å; T266-H270 VanDerWaalsContact OG1-N 3.13Å; T266-H270 PolarHBondContact OG1-O 2.99Å; T266-H270 VanDerWaalsContact OG1-O 3.05Å; H268-H270 PolarHBondContact O-N 3.43Å
271	W	47.8	Very low	38.5	Very low	50 Å²	50	53.1 Å²	53.1	19%	0.189	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.9	175.9	-64.7	8.9	0	0	0	109.3	F202 V203 V208 A227 V263 R264 F320 L322	F202-W271 CarbonylContact C-O 3.49Å; F202-W271 VanDerWaalsContact CA-O 3.3Å; F202-W271 WeakPolarHBondContact CA-O 3.22Å; V203-W271 HydrophobicContact CB-CB 3.97Å; V203-W271 HydrophobicContact CB-CE3 4.37Å; V203-W271 HydrophobicContact CG1-CE3 4.39Å; V203-W271 HydrophobicContact CG2-CB 4.15Å; V203-W271 PolarHBondContact N-O 2.9Å; V208-W271 HydrophobicContact CB-CH2 4.46Å; V208-W271 HydrophobicContact CB-CZ3 4.37Å; V208-W271 HydrophobicContact CG1-CH2 3.94Å; V208-W271 HydrophobicContact CG1-CZ3 4.03Å; V208-W271 HydrophobicContact CG2-CE3 4.33Å; V208-W271 HydrophobicContact CG2-CH2 4.14Å; V208-W271 HydrophobicContact CG2-CZ3 3.62Å; A227-W271 HydrophobicContact CB-CH2 3.33Å; A227-W271 HydrophobicContact CB-CZ3 3.42Å; A227-W271 VanDerWaalsContact CB-CZ3 3.42Å; V263-W271 HydrophobicContact CB-CB 4.3Å; V263-W271 HydrophobicContact CG1-CB 4.3Å; V263-W271 HydrophobicContact CG2-CE3 4.25Å; R264-W271 CarbonylContact O-C 3.59Å; W271-F320 HydrophobicContact CE3-CB 4.39Å; W271-F320 HydrophobicContact CZ3-CB 4.03Å; W271-F320 HydrophobicContact CZ3-CG 4.42Å; W271-L322 HydrophobicContact CD2-CD1 4.3Å; W271-L322 HydrophobicContact CG-CD1 4.16Å
272	L	42.5	Very low	37	Very low	34 Å²	34	56.3 Å²	56.3	18%	0.178	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.4	-177.4	-171.4	78.4	0	0	0	109.7	Y201 F202 V263 R264 T266 P274	Y201-L272 WeakPolarHBondContact O-CA 3.08Å; F202-L272 HydrophobicContact CD1-CD1 3.94Å; F202-L272 HydrophobicContact CE1-CD1 3.75Å; F202-L272 HydrophobicContact CZ-CD1 4.48Å; V263-L272 CarbonylContact C-O 3.48Å; V263-L272 WeakPolarHBondContact CA-O 3.36Å; R264-L272 PolarHBondContact N-O 2.82Å; R264-L272 PolarHBondContact O-N 3Å; T266-L272 HydrophobicContact CG2-CB 3.93Å; T266-L272 HydrophobicContact CG2-CD2 4.4Å; L272-P274 WeakPolarHBondContact O-CD 3.25Å
273	I	47	Very low	35.8	Very low	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	118.4	164	-58.5	-179.4	0	0	0	107.8	F178 L187 Y201 V203 I261 V263 F277 F320	F178-I273 HydrophobicContact CE2-CD1 3.82Å; F178-I273 HydrophobicContact CE2-CG2 4.44Å; L187-I273 HydrophobicContact CD1-CD1 3.88Å; L187-I273 HydrophobicContact CD2-CD1 3.39Å; L187-I273 HydrophobicContact CD2-CG1 4.36Å; L187-I273 HydrophobicContact CG-CD1 4.28Å; Y201-I273 PolarHBondContact O-N 2.9Å; V203-I273 HydrophobicContact CG2-CD1 4.26Å; V203-I273 HydrophobicContact CG2-CG1 4.04Å; I261-I273 HydrophobicContact CG2-CD1 3.48Å; I261-I273 VanDerWaalsContact CG2-CD1 3.48Å; I261-I273 HydrophobicContact CG2-CG1 3.95Å; V263-I273 HydrophobicContact CG1-CG1 3.64Å; I273-F277 HydrophobicContact CG2-CB 4.32Å; I273-F320 HydrophobicContact CD1-CE1 4.32Å
274	P	40.4	Very low	34.6	Very low	12 Å²	12	71 Å²	71	8%	0.078	37%	0.365	C	S	.	.			trans	-67.2	141.3	174.6	-16.3	30.1	0	0	0	111.5	R264 L272 T276 F277	R264-P274 HydrophobicContact CG-CG 4.05Å; L272-P274 WeakPolarHBondContact O-CD 3.25Å; P274-T276 PolarHBondContact O-N 3.31Å; P274-F277 HydrophobicContact CB-CD2 3.91Å; P274-F277 HydrophobicContact CB-CE2 4.24Å; P274-F277 HydrophobicContact CG-CD2 3.87Å; P274-F277 HydrophobicContact CG-CE2 3.99Å; P274-F277 PolarHBondContact O-N 3.19Å
275	Y	33.5	Very low	33.8	Very low	68 Å²	68	71.8 Å²	71.8	27%	0.267	37%	0.372	S	S	.	.	H	α-helix	trans	-45.4	-38	176.9	176.1	-97.3	0	0	0	113.8	R198 L199 F277 A278 H279	R198-Y275 HydrophobicContact CB-CD2 3.94Å; R198-Y275 HydrophobicContact CB-CG 4.01Å; R198-Y275 HydrophobicContact CG-CD1 4.42Å; R198-Y275 HydrophobicContact CG-CD2 4.39Å; R198-Y275 HydrophobicContact CG-CG 4.2Å; L199-Y275 HydrophobicContact CB-CD2 4.46Å; L199-Y275 WeakPolarHBondContact O-CD2 3.46Å; Y275-F277 PolarHBondContact O-N 2.95Å; Y275-A278 PolarHBondContact O-N 3.08Å; Y275-A278 VanDerWaalsContact O-N 3.08Å; Y275-H279 AromaticContact CD2-CD2 3.81Å; Y275-H279 AromaticContact CD2-NE2 3.79Å; Y275-H279 AromaticContact CE1-CD2 3.98Å; Y275-H279 AromaticContact CE2-CD2 3.41Å; Y275-H279 VanDerWaalsContact CE2-CD2 3.41Å; Y275-H279 WeakPolarHBondContact CE2-CD2 3.5Å; Y275-H279 AromaticContact CE2-NE2 3.04Å; Y275-H279 WeakPolarHBondContact CE2-NE2 3.46Å; Y275-H279 AromaticContact CZ-CD2 3.49Å; Y275-H279 VanDerWaalsContact CZ-CD2 3.49Å; Y275-H279 AromaticContact CZ-NE2 3.32Å; Y275-H279 VanDerWaalsContact CZ-NE2 3.32Å; Y275-H279 PolarHBondContact OH-NE2 3.34Å
276	T	31.8	Very low	33	Very low	94 Å²	94	74.2 Å²	74.2	58%	0.577	38%	0.383	S	S	*	.	H	α-helix	trans	-57.9	-18.7	177.8	1.9	0	0	0	0	115	P274 L280	P274-T276 PolarHBondContact O-N 3.31Å; T276-L280 WeakPolarHBondContact O-CD1 3.4Å
277	F	36.8	Very low	32.4	Very low	22 Å²	22	74.2 Å²	74.2	10%	0.096	39%	0.386	C	S	.	.	H	α-helix	trans	-103.3	-20.9	177.2	-60	-78.1	0	0	0	113.2	L165 Y173 P262 I273 P274 Y275 H279 L280	L165-F277 HydrophobicContact CD1-CD1 3.81Å; L165-F277 HydrophobicContact CD1-CE1 3.52Å; Y173-F277 VanDerWaalsContact CE1-O 3.27Å; Y173-F277 WeakPolarHBondContact CE1-O 3.4Å; Y173-F277 PolarHBondContact OH-O 3.06Å; P262-F277 HydrophobicContact CB-CE1 4.37Å; P262-F277 HydrophobicContact CB-CE2 4.32Å; P262-F277 HydrophobicContact CB-CZ 4.22Å; P262-F277 HydrophobicContact CG-CB 4.16Å; P262-F277 HydrophobicContact CG-CD1 3.28Å; P262-F277 HydrophobicContact CG-CD2 3.72Å; P262-F277 HydrophobicContact CG-CE1 3.39Å; P262-F277 HydrophobicContact CG-CE2 3.81Å; P262-F277 HydrophobicContact CG-CG 3.43Å; P262-F277 VanDerWaalsContact CG-CG 3.43Å; P262-F277 HydrophobicContact CG-CZ 3.65Å; I273-F277 HydrophobicContact CG2-CB 4.32Å; P274-F277 HydrophobicContact CB-CD2 3.91Å; P274-F277 HydrophobicContact CB-CE2 4.24Å; P274-F277 HydrophobicContact CG-CD2 3.87Å; P274-F277 HydrophobicContact CG-CE2 3.99Å; P274-F277 PolarHBondContact O-N 3.19Å; Y275-F277 PolarHBondContact O-N 2.95Å; F277-H279 PolarHBondContact O-N 2.71Å; F277-L280 HydrophobicContact CD1-CD1 4.37Å
278	A	34.2	Very low	32	Very low	24 Å²	24	72.8 Å²	72.8	20%	0.198	38%	0.375	C	S	.	.	H	α-helix	trans	-72.1	-14.3	178.1	0	0	0	0	0	113.8	F178 Y201 Y275	F178-A278 HydrophobicContact CE1-CB 4.37Å; F178-A278 HydrophobicContact CZ-CB 3.85Å; Y201-A278 HydrophobicContact CE2-CB 4.2Å; Y275-A278 PolarHBondContact O-N 3.08Å; Y275-A278 VanDerWaalsContact O-N 3.08Å
279	H	32.1	Very low	32.2	Very low	97 Å²	97	66.9 Å²	66.9	45%	0.449	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	15	-175.5	-80.7	-85.3	0	0	0	114.6	Y275 F277	Y275-H279 AromaticContact CD2-CD2 3.81Å; Y275-H279 AromaticContact CD2-NE2 3.79Å; Y275-H279 AromaticContact CE1-CD2 3.98Å; Y275-H279 AromaticContact CE2-CD2 3.41Å; Y275-H279 VanDerWaalsContact CE2-CD2 3.41Å; Y275-H279 WeakPolarHBondContact CE2-CD2 3.5Å; Y275-H279 AromaticContact CE2-NE2 3.04Å; Y275-H279 WeakPolarHBondContact CE2-NE2 3.46Å; Y275-H279 AromaticContact CZ-CD2 3.49Å; Y275-H279 VanDerWaalsContact CZ-CD2 3.49Å; Y275-H279 AromaticContact CZ-NE2 3.32Å; Y275-H279 VanDerWaalsContact CZ-NE2 3.32Å; Y275-H279 PolarHBondContact OH-NE2 3.34Å; F277-H279 PolarHBondContact O-N 2.71Å
280	L	27.3	Very low	32.4	Very low	41 Å²	41	66.5 Å²	66.5	22%	0.215	34%	0.341	C	S	.	.			trans	-106.4	44.6	-168.9	-81.3	171.4	0	0	0	115.7	L165 A166 T276 F277	L165-L280 HydrophobicContact CB-CD1 3.89Å; L165-L280 HydrophobicContact CD1-CD1 4.32Å; A166-L280 HydrophobicContact CB-CD2 3.92Å; T276-L280 WeakPolarHBondContact O-CD1 3.4Å; F277-L280 HydrophobicContact CD1-CD1 4.37Å
281	T	28.6	Very low	32.4	Very low	46 Å²	46	64.7 Å²	64.7	28%	0.282	34%	0.337	S	S	.	.			trans	-163.4	146.8	152.3	21.7	0	0	0	0	111.7	Y173	Y173-T281 WeakPolarHBondContact O-CG2 2.84Å; Y173-T281 PolarHBondContact O-OG1 2.85Å
282	S	23.1	Very low	32.5	Very low	70 Å²	70	62.4 Å²	62.4	49%	0.49	33%	0.328	S	S	.	.			trans	-154.7	108.9	164.1	48.6	0	0	0	0	110.3
283	K	22.8	Very low	33	Very low	181 Å²	181	60.9 Å²	60.9	79%	0.787	32%	0.32	S	S	*	.			trans	-179.8	106.1	156.8	-107.5	172.3	-176.5	179	0	111.2
284	I	23.2	Very low	33.5	Very low	130 Å²	130	60.9 Å²	60.9	67%	0.667	32%	0.321	S	S	*	.			trans	44.7	113.9	146.8	-21.8	172.2	0	0	0	116.8
285	F	24	Very low	34.2	Very low	140 Å²	140	63 Å²	63	61%	0.614	33%	0.333	S	S	*	.				177.6	146.4	99.6	-103.1	-75.5	0	0	0	114.4	A287 V312	F285-A287 PolarHBondContact O-N 3.21Å; F285-V312 HydrophobicContact CB-CG2 3.63Å
286	N	22.7	Very low	35.3	Very low	103 Å²	103	64.8 Å²	64.8	55%	0.551	34%	0.34	S	S	*	.			trans	-25.7	117	162.6	-54	-37.3	0	0	0	114.1	C310 V312	N286-C310 CarbonylContact C-O 3.55Å; N286-C310 HydrophobicContact CB-CB 4.18Å; N286-V312 WeakPolarHBondContact O-CG2 3.2Å
287	A	25.3	Very low	36.6	Very low	28 Å²	28	64 Å²	64	23%	0.231	35%	0.35	C	S	.	.			trans	-134.4	95.5	175	0	0	0	0	0	112.4	D176 F285 T289 C310	D176-A287 VanDerWaalsContact OD2-CB 3.23Å; D176-A287 WeakPolarHBondContact OD2-CB 3.43Å; F285-A287 PolarHBondContact O-N 3.21Å; A287-T289 PolarHBondContact O-N 2.76Å; A287-C310 CarbonylContact C-O 3.53Å; A287-C310 WeakPolarHBondContact CA-O 3.4Å; A287-C310 PolarHBondContact N-O 2.86Å
288	Q	26	Very low	36.9	Very low	98 Å²	98	73 Å²	73	46%	0.458	38%	0.383	S	S	.	.			trans	-35.1	109.9	147.5	-103.9	159.9	1.8	0	0	107.5	P290 L309 C310 A311	Q288-P290 WeakPolarHBondContact O-CD 3.06Å; Q288-L309 PolarHBondContact N-O 3.45Å; Q288-C310 PolarHBondContact N-O 2.9Å; Q288-A311 HydrophobicContact CB-CB 4.21Å
289	T	34.5	Very low	37.1	Very low	33 Å²	33	73 Å²	73	20%	0.202	38%	0.381	C	S	.	.			trans	-95.4	108.8	167.3	22.6	0	0	0	0	106.6	R180 A287 L292 P305	R180-T289 HydrophobicContact CG-CG2 4.48Å; A287-T289 PolarHBondContact O-N 2.76Å; T289-L292 HydrophobicContact CG2-CD1 4Å; T289-P305 WeakPolarHBondContact O-CG 3.34Å
290	P	36.7	Very low	37.8	Very low	29 Å²	29	73.3 Å²	73.3	19%	0.188	38%	0.378	C	S	.	.			trans	-57.1	167.3	160.3	-22.1	31.8	0	0	0	110.1	Y214 N218 Q288 L292	Y214-P290 HydrophobicContact CD1-CB 3.88Å; Y214-P290 HydrophobicContact CD1-CG 3.63Å; Y214-P290 HydrophobicContact CG-CB 4.19Å; Y214-P290 HydrophobicContact CG-CG 3.89Å; N218-P290 HydrophobicContact CB-CG 4.27Å; Q288-P290 WeakPolarHBondContact O-CD 3.06Å; P290-L292 PolarHBondContact O-N 3.25Å
291	V	40.8	Very low	38.6	Very low	59 Å²	59	71.7 Å²	71.7	36%	0.358	37%	0.37	S	S	.	.			trans	-48	111.3	164.9	176.6	0	0	0	0	108.3	Y214 G215 A303	Y214-V291 CarbonylContact C-O 3.54Å; G215-V291 PolarHBondContact N-O 3.11Å; V291-A303 WeakPolarHBondContact CA-O 3.48Å
292	L	48.7	Very low	39.2	Very low	1 Å²	1	71.2 Å²	71.2	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.4	178.5	-79.2	150.5	0	0	0	107.1	R180 Q183 I184 Y214 T289 P290 D302 A303	R180-L292 HydrophobicContact CB-CD1 4.09Å; R180-L292 HydrophobicContact CB-CD2 4.22Å; R180-L292 HydrophobicContact CG-CD1 3.93Å; R180-L292 HydrophobicContact CG-CD2 4.1Å; Q183-L292 HydrophobicContact CB-CD1 4.39Å; Q183-L292 VanDerWaalsContact OE1-CD1 3.25Å; I184-L292 HydrophobicContact CD1-CB 3.55Å; I184-L292 VanDerWaalsContact CD1-O 3.3Å; I184-L292 WeakPolarHBondContact CD1-O 3.42Å; Y214-L292 HydrophobicContact CD1-CD2 3.78Å; Y214-L292 HydrophobicContact CD1-CG 4.26Å; Y214-L292 HydrophobicContact CE1-CD2 3.41Å; Y214-L292 VanDerWaalsContact CE1-CD2 3.41Å; Y214-L292 HydrophobicContact CE1-CG 4.15Å; T289-L292 HydrophobicContact CG2-CD1 4Å; P290-L292 PolarHBondContact O-N 3.25Å; L292-D302 WeakPolarHBondContact O-CA 3.37Å; L292-A303 HydrophobicContact CB-CB 4.32Å; L292-A303 PolarHBondContact N-O 3.38Å; L292-A303 VanDerWaalsContact N-O 3.13Å; L292-A303 PolarHBondContact O-N 3.09Å
293	S	52.9	Low	40	Very low	2 Å²	2	68.1 Å²	68.1	1%	0.014	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.5	179.1	61.5	0	0	0	0	109.7	F212 S213 L301 D302	F212-S293 CarbonylContact C-O 3.6Å; F212-S293 WeakPolarHBondContact CA-O 3.43Å; S213-S293 PolarHBondContact N-O 2.73Å; S213-S293 PolarHBondContact O-N 2.72Å; S213-S293 PolarHBondContact O-OG 2.94Å; S213-S293 PolarHBondContact OG-OG 3.16Å; S293-L301 WeakPolarHBondContact CA-O 3.47Å; S293-D302 WeakPolarHBondContact CB-OD1 3.24Å
294	V	57.4	Low	40.5	Very low	1 Å²	1	63.2 Å²	63.2	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131	167.7	-174.1	0	0	0	0	108.6	I184 F207 F212 R300 L301	I184-V294 HydrophobicContact CB-CG2 4.37Å; I184-V294 HydrophobicContact CD1-CG2 3.62Å; I184-V294 HydrophobicContact CG1-CG2 3.73Å; I184-V294 HydrophobicContact CG2-CG2 3.82Å; F207-V294 HydrophobicContact CB-CG1 4.04Å; F207-V294 HydrophobicContact CD1-CB 4.03Å; F207-V294 HydrophobicContact CD1-CG1 3.62Å; F207-V294 HydrophobicContact CG-CG1 4.15Å; F212-V294 HydrophobicContact CD1-CG2 3.73Å; F212-V294 HydrophobicContact CD2-CG1 4.19Å; F212-V294 HydrophobicContact CD2-CG2 3.67Å; F212-V294 HydrophobicContact CE1-CG2 3.45Å; F212-V294 VanDerWaalsContact CE1-CG2 3.45Å; F212-V294 HydrophobicContact CE2-CB 4.3Å; F212-V294 HydrophobicContact CE2-CG1 3.96Å; F212-V294 HydrophobicContact CE2-CG2 3.3Å; F212-V294 HydrophobicContact CG-CG2 3.85Å; F212-V294 HydrophobicContact CZ-CG2 3.18Å; V294-R300 VanDerWaalsContact O-CA 3.26Å; V294-R300 WeakPolarHBondContact O-CA 3.47Å; V294-L301 PolarHBondContact N-O 2.93Å; V294-L301 PolarHBondContact O-N 2.84Å
295	T	55.9	Low	41.1	Very low	55 Å²	55	58.8 Å²	58.8	34%	0.337	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.8	173.1	-52.5	0	0	0	0	109.7	G210 T211	G210-T295 WeakPolarHBondContact CA-O 3.2Å; T211-T295 PolarHBondContact N-O 3.35Å; T211-T295 PolarHBondContact O-N 3.26Å
296	R	55.8	Low	41.2	Very low	107 Å²	107	58.6 Å²	58.6	40%	0.404	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	111.5	168.9	-171.2	-163.8	-179.7	175.3	7.3	109.2	P205 E206 V208 R298 T299	P205-R296 PolarHBondContact O-NH1 3.17Å; E206-R296 WeakPolarHBondContact O-CD 3.27Å; E206-R296 PolarHBondContact O-NH1 3.13Å; V208-R296 PolarHBondContact O-NE 3.44Å; V208-R296 PolarHBondContact O-NH1 2.82Å; V208-R296 PolarHBondContact O-NH2 3.46Å; V208-R296 VanDerWaalsContact O-NH2 3.12Å; R296-R298 PolarHBondContact O-N 2.88Å; R296-T299 PolarHBondContact N-O 3.46Å; R296-T299 PolarHBondContact O-N 3.5Å
297	G	59	Low	41.3	Very low	78 Å²	78	57.6 Å²	57.6	80%	0.804	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-110.8	-178.3	0	0	0	0	0	111.7
298	R	44.7	Very low	41.2	Very low	210 Å²	210	60.8 Å²	60.8	79%	0.792	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-11.3	177.3	-64.8	-176.2	-179.8	-177.7	0.2	113.9	R296	R296-R298 PolarHBondContact O-N 2.88Å
299	T	38	Very low	41.2	Very low	23 Å²	23	61.8 Å²	61.8	14%	0.141	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	129.6	-179.7	-43.9	0	0	0	0	109.5	F207 R296	F207-T299 HydrophobicContact CE1-CG2 3.8Å; F207-T299 HydrophobicContact CZ-CG2 3.87Å; R296-T299 PolarHBondContact N-O 3.46Å; R296-T299 PolarHBondContact O-N 3.5Å
300	R	47.5	Very low	40.6	Very low	104 Å²	104	63.6 Å²	63.6	39%	0.392	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.4	172.4	175.4	177.5	166.6	138.9	6.3	109.2	Y87 V294 D302	Y87-R300 PolarHBondContact O-N 2.82Å; V294-R300 VanDerWaalsContact O-CA 3.26Å; V294-R300 WeakPolarHBondContact O-CA 3.47Å; R300-D302 IonicContact CZ-OD1 2.63Å; R300-D302 VanDerWaalsContact CZ-OD1 3.25Å; R300-D302 IonicContact CZ-OD2 2.88Å; R300-D302 VanDerWaalsContact NE-CG 3.3Å; R300-D302 IonicContact NE-OD1 3.26Å; R300-D302 PolarHBondContact NE-OD1 3.25Å; R300-D302 IonicContact NE-OD2 2.75Å; R300-D302 PolarHBondContact NE-OD2 2.98Å; R300-D302 IonicContact NH2-OD1 2.7Å; R300-D302 PolarHBondContact NH2-OD1 2.76Å; R300-D302 IonicContact NH2-OD2 3.45Å; R300-D302 PolarHBondContact NH2-OD2 3.31Å
301	L	43.9	Very low	40.3	Very low	7 Å²	7	65.1 Å²	65.1	4%	0.037	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.1	178.2	-164.7	163	0	0	0	108.3	L84 F86 I184 F207 S293 V294	L84-L301 HydrophobicContact CD2-CD2 3.57Å; F86-L301 HydrophobicContact CD2-CD1 3.75Å; F86-L301 HydrophobicContact CD2-CG 4.5Å; F86-L301 HydrophobicContact CE2-CD1 4.35Å; I184-L301 HydrophobicContact CB-CD2 4.38Å; I184-L301 HydrophobicContact CG1-CD2 3.5Å; I184-L301 WeakPolarHBondContact O-CD2 3.46Å; F207-L301 HydrophobicContact CD2-CD1 4.45Å; F207-L301 HydrophobicContact CE1-CB 3.84Å; F207-L301 HydrophobicContact CE1-CD1 4.38Å; F207-L301 HydrophobicContact CE2-CB 4.42Å; F207-L301 HydrophobicContact CE2-CD1 3.47Å; F207-L301 VanDerWaalsContact CE2-CD1 3.47Å; F207-L301 HydrophobicContact CZ-CB 3.66Å; F207-L301 HydrophobicContact CZ-CD1 3.44Å; F207-L301 VanDerWaalsContact CZ-CD1 3.44Å; F207-L301 HydrophobicContact CZ-CG 4.18Å; S293-L301 WeakPolarHBondContact CA-O 3.47Å; V294-L301 PolarHBondContact N-O 2.93Å; V294-L301 PolarHBondContact O-N 2.84Å
302	D	41.1	Very low	39.9	Very low	36 Å²	36	64.8 Å²	64.8	19%	0.193	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.3	-175.9	-74.4	-53.8	0	0	0	110.6	R85 L292 S293 R300	R85-D302 PolarHBondContact N-O 3.49Å; R85-D302 PolarHBondContact O-N 3.43Å; L292-D302 WeakPolarHBondContact O-CA 3.37Å; S293-D302 WeakPolarHBondContact CB-OD1 3.24Å; R300-D302 IonicContact CZ-OD1 2.63Å; R300-D302 VanDerWaalsContact CZ-OD1 3.25Å; R300-D302 IonicContact CZ-OD2 2.88Å; R300-D302 VanDerWaalsContact NE-CG 3.3Å; R300-D302 IonicContact NE-OD1 3.26Å; R300-D302 PolarHBondContact NE-OD1 3.25Å; R300-D302 IonicContact NE-OD2 2.75Å; R300-D302 PolarHBondContact NE-OD2 2.98Å; R300-D302 IonicContact NH2-OD1 2.7Å; R300-D302 PolarHBondContact NH2-OD1 2.76Å; R300-D302 IonicContact NH2-OD2 3.45Å; R300-D302 PolarHBondContact NH2-OD2 3.31Å
303	A	38.8	Very low	39.4	Very low	5 Å²	5	69.6 Å²	69.6	4%	0.041	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.3	172.6	0	0	0	0	0	110	Q183 I184 V291 L292 P305	Q183-A303 VanDerWaalsContact O-CB 3.23Å; Q183-A303 WeakPolarHBondContact O-CB 3.42Å; I184-A303 HydrophobicContact CD1-CB 4.29Å; I184-A303 HydrophobicContact CG1-CB 4.36Å; V291-A303 WeakPolarHBondContact CA-O 3.48Å; L292-A303 HydrophobicContact CB-CB 4.32Å; L292-A303 PolarHBondContact N-O 3.38Å; L292-A303 VanDerWaalsContact N-O 3.13Å; L292-A303 PolarHBondContact O-N 3.09Å; A303-P305 WeakPolarHBondContact O-CD 3.33Å
304	V	33.3	Very low	39	Very low	79 Å²	79	70.7 Å²	70.7	48%	0.479	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.2	-179.9	-174.9	0	0	0	0	109.6
305	P	36.4	Very low	38.6	Very low	37 Å²	37	71.4 Å²	71.4	24%	0.24	42%	0.422	C	S	.	.			trans	-82.7	134.5	177.9	30	-31.2	0	0	0	112.2	T289 A303	T289-P305 WeakPolarHBondContact O-CG 3.34Å; A303-P305 WeakPolarHBondContact O-CD 3.33Å
306	L	25.9	Very low	38.6	Very low	135 Å²	135	75.3 Å²	75.3	71%	0.707	44%	0.436	S	S	*	.			trans	-100.7	65.1	174.5	-77.7	166.5	0	0	0	111.6	F83	F83-L306 HydrophobicContact CD2-CD1 4.19Å; F83-L306 HydrophobicContact CE2-CD1 3.85Å
307	A	25.4	Very low	38.6	Very low	82 Å²	82	74 Å²	74	68%	0.678	43%	0.432	S	S	*	.			trans	-167.6	155.7	163.4	0	0	0	0	0	112.2
308	S	22.9	Very low	38.5	Very low	96 Å²	96	70.3 Å²	70.3	67%	0.671	39%	0.393	S	S	*	.			trans	-109.6	147.9	-179.4	-179.7	0	0	0	0	111.9
309	L	25.3	Very low	38.8	Very low	118 Å²	118	61.1 Å²	61.1	62%	0.618	36%	0.36	S	S	*	.			trans	141.7	122.6	144.7	-74.7	160	0	0	0	115.1	Q288	Q288-L309 PolarHBondContact N-O 3.45Å
310	C	23	Very low	39.7	Very low	72 Å²	72	60 Å²	60	49%	0.486	35%	0.353	S	S	.	.			trans	42.3	143.7	167.2	-62.9	0	0	0	0	121	N286 A287 Q288	N286-C310 CarbonylContact C-O 3.55Å; N286-C310 HydrophobicContact CB-CB 4.18Å; A287-C310 CarbonylContact C-O 3.53Å; A287-C310 WeakPolarHBondContact CA-O 3.4Å; A287-C310 PolarHBondContact N-O 2.86Å; Q288-C310 PolarHBondContact N-O 2.9Å
311	A	29.6	Very low	39.8	Very low	61 Å²	61	55.1 Å²	55.1	50%	0.504	33%	0.334	S	S	.	.			trans	-111.2	149.3	-169.2	0	0	0	0	0	116.7	Q288	Q288-A311 HydrophobicContact CB-CB 4.21Å
312	V	32.6	Very low	40	Very low	51 Å²	51	55.4 Å²	55.4	31%	0.309	34%	0.336	S	S	.	.			trans	-119.5	138.2	171.6	174.7	0	0	0	0	110.3	F285 N286 G314	F285-V312 HydrophobicContact CB-CG2 3.63Å; N286-V312 WeakPolarHBondContact O-CG2 3.2Å; V312-G314 PolarHBondContact O-N 2.96Å
313	P	39.1	Very low	40.2	Very low	103 Å²	103	54.3 Å²	54.3	67%	0.669	33%	0.33	S	S	*	.			trans	-71.8	118.7	174.7	28.8	-33.8	0	0	0	112.2
314	G	43.6	Very low	40.3	Very low	25 Å²	25	55.4 Å²	55.4	26%	0.258	34%	0.335	S	S	.	.			trans	-81.2	176.7	171.5	0	0	0	0	0	114	V312	V312-G314 PolarHBondContact O-N 2.96Å
315	P	49.2	Very low	40.1	Very low	15 Å²	15	55.4 Å²	55.4	10%	0.097	34%	0.344	C	S	.	.			trans	-67.8	155.7	179.6	29.1	-35.9	0	0	0	112.6	D174 V177 Y223 S257 A259	D174-P315 HydrophobicContact CB-CG 4.28Å; D174-P315 WeakPolarHBondContact OD2-CD 3.46Å; V177-P315 HydrophobicContact CG2-CG 3.41Å; V177-P315 VanDerWaalsContact CG2-CG 3.41Å; Y223-P315 VanDerWaalsContact CB-O 3.32Å; Y223-P315 WeakPolarHBondContact CB-O 3.41Å; S257-P315 CarbonylContact O-C 3.53Å; S257-P315 VanDerWaalsContact O-CB 3.23Å; S257-P315 WeakPolarHBondContact O-CB 3.48Å; A259-P315 HydrophobicContact CB-CB 4.41Å; A259-P315 HydrophobicContact CB-CG 3.98Å
316	E	55.6	Low	39.8	Very low	138 Å²	138	56.4 Å²	56.4	65%	0.645	35%	0.349	S	S	*	.	S	Bend	trans	-80.1	-21.8	178.6	-59.2	-173.4	-177.1	0	0	112.5	Y223 R224 S257	Y223-E316 VanDerWaalsContact CA-O 3.27Å; Y223-E316 WeakPolarHBondContact CA-O 3.13Å; Y223-E316 WeakPolarHBondContact CB-O 3.44Å; R224-E316 PolarHBondContact N-O 3Å; S257-E316 PolarHBondContact O-N 3.12Å
317	R	56.6	Low	39.8	Very low	80 Å²	80	51.5 Å²	51.5	30%	0.302	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148.3	-178.8	-63.8	178.3	172.5	-166.6	-4.2	111.6	Y253 S257 V258 A259	Y253-R317 PolarHBondContact OH-NH1 2.95Å; S257-R317 PolarHBondContact O-N 3Å; S257-R317 VanDerWaalsContact O-N 3.09Å; V258-R317 WeakPolarHBondContact CA-O 3.5Å; V258-R317 HydrophobicContact CG1-CB 4.3Å; V258-R317 HydrophobicContact CG2-CB 4.22Å; A259-R317 PolarHBondContact N-O 2.99Å
318	V	55.2	Low	39.8	Very low	0 Å²	0	53.7 Å²	53.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.7	167.1	-175.8	0	0	0	0	108	V177 L181 Y223 R224 V225 N226 A259 I261	V177-V318 HydrophobicContact CG1-CG1 4.24Å; V177-V318 HydrophobicContact CG1-CG2 3.67Å; V177-V318 HydrophobicContact CG2-CG2 4.25Å; L181-V318 HydrophobicContact CD1-CG1 4.48Å; Y223-V318 HydrophobicContact CD2-CG2 3.68Å; Y223-V318 HydrophobicContact CE2-CG2 3.84Å; R224-V318 PolarHBondContact O-N 3.14Å; V225-V318 HydrophobicContact CG2-CB 4.1Å; V225-V318 HydrophobicContact CG2-CG2 4.38Å; N226-V318 PolarHBondContact N-O 2.95Å; A259-V318 HydrophobicContact CB-CG2 4.4Å; A259-V318 CarbonylContact O-C 3.58Å; A259-V318 WeakPolarHBondContact O-CA 3.48Å; I261-V318 HydrophobicContact CD1-CG1 3.63Å; I261-V318 HydrophobicContact CG1-CG1 4.14Å
319	L	53	Low	40	Very low	17 Å²	17	52.4 Å²	52.4	9%	0.089	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	106.6	-177.7	-173.7	65.8	0	0	0	110.3	N226 I228 W254 V258 A259 I261 V321	N226-L319 HydrophobicContact CB-CD1 3.84Å; I228-L319 HydrophobicContact CB-CD1 4.13Å; I228-L319 HydrophobicContact CG2-CD1 3.65Å; I228-L319 HydrophobicContact CG2-CD2 4.05Å; I228-L319 HydrophobicContact CG2-CG 3.87Å; W254-L319 HydrophobicContact CZ2-CD2 4.36Å; V258-L319 HydrophobicContact CG1-CB 4.14Å; A259-L319 PolarHBondContact O-N 2.81Å; I261-L319 PolarHBondContact N-O 3.48Å; L319-V321 HydrophobicContact CD2-CG2 4.06Å; L319-V321 HydrophobicContact CG-CG2 3.99Å; L319-V321 PolarHBondContact O-N 3.24Å
320	F	55.3	Low	40.1	Very low	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	115.6	168.3	-75.4	-68.7	0	0	0	110.2	L181 M186 L187 V203 V208 V225 N226 A227 I228 I261 V263 W271 I273	L181-F320 HydrophobicContact CD1-CZ 4.23Å; M186-F320 HydrophobicContact CE-CE2 3.99Å; L187-F320 HydrophobicContact CD2-CE1 4.38Å; L187-F320 HydrophobicContact CD2-CZ 4.3Å; V203-F320 HydrophobicContact CB-CE1 4.33Å; V203-F320 HydrophobicContact CB-CZ 4.37Å; V203-F320 HydrophobicContact CG1-CD1 4.43Å; V203-F320 HydrophobicContact CG1-CD2 4.29Å; V203-F320 HydrophobicContact CG1-CE1 3.88Å; V203-F320 HydrophobicContact CG1-CE2 3.7Å; V203-F320 HydrophobicContact CG1-CZ 3.48Å; V203-F320 VanDerWaalsContact CG1-CZ 3.48Å; V203-F320 HydrophobicContact CG2-CD1 3.95Å; V203-F320 HydrophobicContact CG2-CE1 3.45Å; V203-F320 VanDerWaalsContact CG2-CE1 3.45Å; V203-F320 HydrophobicContact CG2-CZ 3.91Å; V208-F320 HydrophobicContact CG2-CD2 4.24Å; V208-F320 HydrophobicContact CG2-CE2 4.49Å; V225-F320 HydrophobicContact CG1-CD2 3.67Å; V225-F320 HydrophobicContact CG1-CE2 3.48Å; V225-F320 VanDerWaalsContact CG1-CE2 3.48Å; N226-F320 PolarHBondContact O-N 3.46Å; A227-F320 CarbonylContact C-O 3.55Å; A227-F320 VanDerWaalsContact CA-O 3.25Å; A227-F320 WeakPolarHBondContact CA-O 3.41Å; A227-F320 HydrophobicContact CB-CB 3.84Å; I228-F320 PolarHBondContact N-O 2.94Å; I261-F320 HydrophobicContact CB-CD1 3.81Å; I261-F320 HydrophobicContact CB-CE1 3.9Å; I261-F320 HydrophobicContact CD1-CE1 4.02Å; I261-F320 HydrophobicContact CD1-CZ 4.3Å; I261-F320 HydrophobicContact CG2-CD1 3.83Å; I261-F320 HydrophobicContact CG2-CE1 3.66Å; I261-F320 CarbonylContact O-C 3.24Å; I261-F320 VanDerWaalsContact O-CA 3.29Å; I261-F320 WeakPolarHBondContact O-CA 3.29Å; V263-F320 HydrophobicContact CG1-CD1 3.93Å; V263-F320 HydrophobicContact CG1-CE1 4.42Å; V263-F320 HydrophobicContact CG2-CB 4.03Å; V263-F320 HydrophobicContact CG2-CD1 4.24Å; W271-F320 HydrophobicContact CE3-CB 4.39Å; W271-F320 HydrophobicContact CZ3-CB 4.03Å; W271-F320 HydrophobicContact CZ3-CG 4.42Å; I273-F320 HydrophobicContact CD1-CE1 4.32Å
321	V	50.9	Low	40.2	Very low	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	100.7	-178.9	177.7	0	0	0	0	109.3	I228 I230 Y235 W254 V260 I261 P262 V263 L319 L323	I228-V321 HydrophobicContact CG2-CG2 4.03Å; I230-V321 HydrophobicContact CD1-CG1 3.44Å; I230-V321 VanDerWaalsContact CD1-CG1 3.44Å; I230-V321 HydrophobicContact CG1-CG1 3.71Å; Y235-V321 HydrophobicContact CD2-CG1 4Å; Y235-V321 HydrophobicContact CE2-CG1 4.13Å; W254-V321 HydrophobicContact CH2-CG2 4.45Å; W254-V321 HydrophobicContact CZ2-CG2 4.27Å; V260-V321 HydrophobicContact CG1-CB 4.46Å; V260-V321 HydrophobicContact CG1-CG2 3.63Å; I261-V321 PolarHBondContact O-N 3.33Å; P262-V321 CarbonylContact C-O 3.46Å; P262-V321 WeakPolarHBondContact CA-O 3.37Å; V263-V321 PolarHBondContact N-O 3.25Å; L319-V321 HydrophobicContact CD2-CG2 4.06Å; L319-V321 HydrophobicContact CG-CG2 3.99Å; L319-V321 PolarHBondContact O-N 3.24Å; V321-L323 HydrophobicContact CG1-CD2 3.94Å; V321-L323 PolarHBondContact O-N 2.93Å; V321-L323 VanDerWaalsContact O-N 3.15Å
322	L	47.7	Very low	40.1	Very low	13 Å²	13	58.3 Å²	58.3	7%	0.068	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	102.5	178.2	-165.9	77.8	0	0	0	110.1	I228 A229 I230 V263 T265 W271 D324	I228-L322 PolarHBondContact O-N 3Å; A229-L322 HydrophobicContact CB-CB 3.97Å; A229-L322 HydrophobicContact CB-CD2 4Å; I230-L322 PolarHBondContact N-O 3.3Å; V263-L322 HydrophobicContact CB-CD1 4.34Å; V263-L322 HydrophobicContact CG2-CB 4.36Å; V263-L322 HydrophobicContact CG2-CD1 3.98Å; V263-L322 WeakPolarHBondContact O-CA 3.4Å; T265-L322 HydrophobicContact CG2-CD1 3.78Å; T265-L322 HydrophobicContact CG2-CD2 3.94Å; T265-L322 HydrophobicContact CG2-CG 4.24Å; W271-L322 HydrophobicContact CD2-CD1 4.3Å; W271-L322 HydrophobicContact CG-CD1 4.16Å; L322-D324 PolarHBondContact O-N 3.1Å
323	L	44.7	Very low	39.8	Very low	14 Å²	14	67.4 Å²	67.4	7%	0.073	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	99.8	178.2	-61	-179.8	0	0	0	109.6	L232 Y235 P262 V263 V321	L232-L323 HydrophobicContact CD1-CD1 4.28Å; L232-L323 HydrophobicContact CD1-CD2 4.28Å; Y235-L323 HydrophobicContact CD1-CD1 4.29Å; Y235-L323 HydrophobicContact CD1-CD2 3.3Å; Y235-L323 HydrophobicContact CD1-CG 4.45Å; Y235-L323 HydrophobicContact CD2-CD2 4.03Å; Y235-L323 HydrophobicContact CE1-CD1 4.1Å; Y235-L323 HydrophobicContact CE1-CD2 3.74Å; Y235-L323 HydrophobicContact CE2-CD2 4.42Å; Y235-L323 HydrophobicContact CG-CD2 3.45Å; Y235-L323 VanDerWaalsContact CG-CD2 3.45Å; P262-L323 HydrophobicContact CB-CD1 3.79Å; P262-L323 HydrophobicContact CB-CG 4.18Å; V263-L323 PolarHBondContact O-N 3.26Å; V321-L323 HydrophobicContact CG1-CD2 3.94Å; V321-L323 PolarHBondContact O-N 2.93Å; V321-L323 VanDerWaalsContact O-N 3.15Å
324	D	41.6	Very low	39.2	Very low	27 Å²	27	73.8 Å²	73.8	14%	0.144	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.3	175.1	-158.1	-46.1	0	0	0	109.8	I230 L232 L322 T326 K393	I230-D324 WeakPolarHBondContact O-CB 3.28Å; I230-D324 PolarHBondContact O-N 2.67Å; L232-D324 WeakPolarHBondContact CB-O 3.31Å; L232-D324 PolarHBondContact N-O 3.4Å; L322-D324 PolarHBondContact O-N 3.1Å; D324-T326 PolarHBondContact O-N 3.45Å; D324-T326 WeakPolarHBondContact OD1-CB 3.38Å; D324-T326 WeakPolarHBondContact OD1-CG2 3.41Å; D324-T326 PolarHBondContact OD1-N 3.13Å; D324-T326 VanDerWaalsContact OD1-N 3.1Å; D324-T326 PolarHBondContact OD1-OG1 3.46Å; D324-K393 WeakPolarHBondContact OD2-CE 3.3Å; D324-K393 IonicContact OD2-NZ 3.67Å; D324-K393 PolarHBondContact OD2-NZ 2.7Å
325	A	28.9	Very low	38.5	Very low	80 Å²	80	78.8 Å²	78.8	66%	0.661	37%	0.373	S	S	*	.			trans	-72.9	-1.4	-178.7	0	0	0	0	0	113.5	T327	A325-T327 PolarHBondContact O-N 3.16Å
326	T	28.9	Very low	37.4	Very low	58 Å²	58	89.3 Å²	89.3	36%	0.356	41%	0.41	S	S	.	.			trans	-72.1	86.3	174.3	48.7	0	0	0	0	112	D324	D324-T326 PolarHBondContact O-N 3.45Å; D324-T326 WeakPolarHBondContact OD1-CB 3.38Å; D324-T326 WeakPolarHBondContact OD1-CG2 3.41Å; D324-T326 PolarHBondContact OD1-N 3.13Å; D324-T326 VanDerWaalsContact OD1-N 3.1Å; D324-T326 PolarHBondContact OD1-OG1 3.46Å
327	T	26.2	Very low	36	Very low	31 Å²	31	86.7 Å²	86.7	19%	0.19	41%	0.406	C	S	.	.			trans	-61	145.6	167.4	53.8	0	0	0	0	111.6	M44 A325 D329	M44-T327 HydrophobicContact CB-CG2 4.08Å; M44-T327 HydrophobicContact CE-CG2 4.27Å; M44-T327 WeakPolarHBondContact CE-OG1 3.46Å; M44-T327 HydrophobicContact CG-CG2 4.12Å; M44-T327 WeakPolarHBondContact CG-OG1 3.49Å; M44-T327 HydrophobicContact SD-CG2 3.75Å; A325-T327 PolarHBondContact O-N 3.16Å; T327-D329 PolarHBondContact O-N 2.95Å
328	K	26.6	Very low	34.4	Very low	128 Å²	128	85.3 Å²	85.3	56%	0.557	42%	0.417	S	S	*	.			trans	-47.4	98.7	168.5	-81.6	177.7	-177	123.8	0	112.8	D233 T330	D233-K328 WeakPolarHBondContact OD2-CD 3.42Å; D233-K328 WeakPolarHBondContact OD2-CE 3.5Å; D233-K328 WeakPolarHBondContact OD2-CG 3.46Å; D233-K328 IonicContact OD2-NZ 2.65Å; D233-K328 PolarHBondContact OD2-NZ 3.15Å; K328-T330 PolarHBondContact O-N 2.58Å
329	D	25.7	Very low	32.9	Very low	69 Å²	69	88.7 Å²	88.7	37%	0.369	45%	0.452	S	S	.	.			trans	-78.1	112.9	154.9	-167.4	-20.3	0	0	0	107.6	T327 Q331 L332 Q389	T327-D329 PolarHBondContact O-N 2.95Å; D329-Q331 PolarHBondContact O-N 2.68Å; D329-L332 PolarHBondContact O-N 2.87Å; D329-Q389 PolarHBondContact OD2-NE2 3.5Å
330	T	27.5	Very low	31.5	Very low	122 Å²	122	93.1 Å²	93.1	75%	0.748	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.6	-167.3	49.8	0	0	0	0	114.1	K328	K328-T330 PolarHBondContact O-N 2.58Å
331	Q	25.7	Very low	30	Very low	176 Å²	176	102.4 Å²	102.4	82%	0.822	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-19.2	175.5	-58.3	-164.2	4.3	0	0	114.1	D329	D329-Q331 PolarHBondContact O-N 2.68Å
332	L	28.2	Very low	28.7	Very low	77 Å²	77	113.2 Å²	113.2	40%	0.403	57%	0.568	S	S	.	*			trans	-105.9	63.9	-174	-73.5	170.4	0	0	0	112.9	D329 R334	D329-L332 PolarHBondContact O-N 2.87Å; L332-R334 PolarHBondContact O-N 2.65Å
333	R	25.5	Very low	27.9	Very low	243 Å²	243	115.6 Å²	115.6	92%	0.917	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	10.2	176.6	-73	-172	174	-169.7	-1.7	116.8
334	R	27.7	Very low	27.5	Very low	236 Å²	236	117.7 Å²	117.7	89%	0.891	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	1.7	-167.3	-65.8	-172.2	179.4	179.4	-0	115.8	L332 R336	L332-R334 PolarHBondContact O-N 2.65Å; R334-R336 PolarHBondContact O-N 2.86Å
335	W	27.6	Very low	27.4	Very low	130 Å²	130	121.2 Å²	121.2	49%	0.492	62%	0.622	S	S	.	*			trans	-80.9	111.1	170.6	-79.8	66.8	0	0	0	110.3	P394	W335-P394 HydrophobicContact CH2-CG 4.23Å
336	R	25.6	Very low	27.9	Very low	236 Å²	236	117.4 Å²	117.4	89%	0.891	59%	0.591	S	S	*	*			trans	-124.1	114.1	163.7	-76.9	-173.9	172.6	-167.5	-4	108	R334 G338	R334-R336 PolarHBondContact O-N 2.86Å; R336-G338 PolarHBondContact O-N 3.04Å
337	C	26.9	Very low	28.3	Very low	83 Å²	83	116.2 Å²	116.2	56%	0.561	58%	0.584	S	S	*	*			trans	-71.9	108.3	157.4	-75.9	0	0	0	0	107.1
338	G	24.3	Very low	28.9	Very low	51 Å²	51	114.9 Å²	114.9	53%	0.526	58%	0.576	S	S	.	*			trans	-63.4	163.9	175.4	0	0	0	0	0	112.4	R336	R336-G338 PolarHBondContact O-N 3.04Å
339	G	23.1	Very low	29.5	Very low	71 Å²	71	115 Å²	115	73%	0.732	57%	0.573	S	S	*	*	S	Bend	trans	-72.8	-141.6	-177.1	0	0	0	0	0	114.4	Y341	G339-Y341 PolarHBondContact O-N 2.82Å
340	S	22.7	Very low	30.1	Very low	111 Å²	111	113 Å²	113	78%	0.776	56%	0.563	S	S	*	*	S	Bend	trans	-65	17.5	-168.3	48.7	0	0	0	0	117.7
341	Y	23.8	Very low	30.3	Very low	195 Å²	195	115.2 Å²	115.2	77%	0.765	56%	0.563	S	S	*	*	S	Bend	trans	-128.3	134.9	178.4	-65.3	-86.2	0	0	0	110.5	G339 A343	G339-Y341 PolarHBondContact O-N 2.82Å; Y341-A343 PolarHBondContact O-N 3.44Å
342	F	25	Very low	30.7	Very low	226 Å²	226	112.2 Å²	112.2	99%	0.991	57%	0.568	S	S	*	*			trans	-65.1	43.9	-168	-79.4	-98.6	0	0	0	116.9	V344	F342-V344 PolarHBondContact O-N 3.25Å
343	A	29.3	Very low	31.1	Very low	64 Å²	64	110.7 Å²	110.7	53%	0.529	56%	0.564	S	S	.	*			trans	-94.5	94.5	178.9	0	0	0	0	0	112.1	Y341	Y341-A343 PolarHBondContact O-N 3.44Å
344	V	36	Very low	31.8	Very low	58 Å²	58	103.6 Å²	103.6	35%	0.352	55%	0.551	S	S	.	*			trans	-97.5	114.1	165.3	179	0	0	0	0	108.4	F342 V346 S359 L360	F342-V344 PolarHBondContact O-N 3.25Å; V344-V346 HydrophobicContact CG1-CG2 4.46Å; V344-S359 CarbonylContact O-C 3.09Å; V344-S359 WeakPolarHBondContact O-CA 3.49Å; V344-L360 HydrophobicContact CB-CB 4.2Å; V344-L360 WeakPolarHBondContact O-CB 3.23Å; V344-L360 PolarHBondContact O-N 2.98Å
345	D	40.1	Very low	32.3	Very low	100 Å²	100	96.7 Å²	96.7	54%	0.535	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	133.8	174.5	-70.5	-34.9	0	0	0	111.7	S359	D345-S359 WeakPolarHBondContact OD1-CA 3.46Å; D345-S359 WeakPolarHBondContact OD1-CB 3.36Å
346	V	39.7	Very low	33.2	Very low	1 Å²	1	95.8 Å²	95.8	1%	0.006	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.4	-174	-170.6	0	0	0	0	109.8	V344 V348 V358 L360 L363 L384	V344-V346 HydrophobicContact CG1-CG2 4.46Å; V346-V348 PolarHBondContact O-N 3.09Å; V346-V358 PolarHBondContact N-O 3.28Å; V346-V358 PolarHBondContact O-N 2.87Å; V346-L360 HydrophobicContact CG2-CB 4.14Å; V346-L360 HydrophobicContact CG2-CD1 3.87Å; V346-L363 HydrophobicContact CB-CD1 3.94Å; V346-L363 HydrophobicContact CG1-CD1 4.34Å; V346-L363 HydrophobicContact CG2-CD1 4.27Å; V346-L384 HydrophobicContact CG1-CD1 3.55Å
347	P	37.7	Very low	34.2	Very low	33 Å²	33	89.8 Å²	89.8	21%	0.214	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	112	176.3	29.6	-32.9	0	0	0	111.1	F355 E356	P347-F355 HydrophobicContact CB-CD1 4.33Å; P347-E356 CarbonylContact C-O 3.56Å; P347-E356 WeakPolarHBondContact CA-O 3.24Å
348	V	39	Very low	35.2	Very low	2 Å²	2	86.2 Å²	86.2	1%	0.012	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.7	170.3	-175	0	0	0	0	108.6	V346 E356 V358 L363	V346-V348 PolarHBondContact O-N 3.09Å; V348-E356 PolarHBondContact N-O 3.05Å; V348-E356 PolarHBondContact O-N 2.92Å; V348-V358 HydrophobicContact CB-CG2 4Å; V348-V358 HydrophobicContact CG2-CB 3.85Å; V348-V358 HydrophobicContact CG2-CG2 3.59Å; V348-L363 HydrophobicContact CG2-CD1 4.05Å; V348-L363 HydrophobicContact CG2-CD2 4.09Å; V348-L363 HydrophobicContact CG2-CG 4.47Å
349	R	39	Very low	36.4	Very low	131 Å²	131	85.8 Å²	85.8	49%	0.494	48%	0.483	S	S	.	.			trans	-119	96.9	171	-164.2	-176.7	-168.2	179.2	2.4	108.7	F355 N383	R349-F355 HydrophobicContact CB-CD1 3.92Å; R349-F355 HydrophobicContact CB-CE1 3.76Å; R349-F355 HydrophobicContact CG-CD1 4.26Å; R349-F355 HydrophobicContact CG-CE1 4.05Å; R349-F355 HydrophobicContact CG-CZ 4.41Å; R349-N383 PolarHBondContact N-ND2 3.39Å
350	P	37.3	Very low	37.3	Very low	26 Å²	26	84.5 Å²	84.5	17%	0.169	46%	0.46	C	S	.	.			trans	-57.7	151.6	169.9	-18.6	29.9	0	0	0	110.1	A352 S353	P350-A352 PolarHBondContact O-N 3.3Å; P350-S353 WeakPolarHBondContact CB-OG 3.33Å; P350-S353 WeakPolarHBondContact CD-OG 3.4Å; P350-S353 WeakPolarHBondContact CG-OG 3.4Å; P350-S353 PolarHBondContact O-N 3.1Å
351	F	33.4	Very low	38.2	Very low	170 Å²	170	81 Å²	81	75%	0.746	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	118.2	178.6	-84	-94.1	0	0	0	110	I379	F351-I379 HydrophobicContact CE2-CD1 3.97Å
352	A	33.7	Very low	39.3	Very low	113 Å²	113	78.7 Å²	78.7	93%	0.934	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	4.8	179.9	0	0	0	0	0	119.7	P350	P350-A352 PolarHBondContact O-N 3.3Å
353	S	35	Very low	40.4	Very low	44 Å²	44	68.2 Å²	68.2	31%	0.308	39%	0.385	S	S	.	.	S	Bend	trans	-112.4	174.7	-179.8	71.8	0	0	0	0	115.8	P350	P350-S353 WeakPolarHBondContact CB-OG 3.33Å; P350-S353 WeakPolarHBondContact CD-OG 3.4Å; P350-S353 WeakPolarHBondContact CG-OG 3.4Å; P350-S353 PolarHBondContact O-N 3.1Å
354	S	40.3	Very low	40.9	Very low	94 Å²	94	69.2 Å²	69.2	66%	0.657	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-65.6	153.8	170.6	47.2	0	0	0	0	111.7	E356	S354-E356 PolarHBondContact O-N 3.47Å
355	F	40	Very low	41.3	Very low	92 Å²	92	73.6 Å²	73.6	40%	0.404	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-60.1	125.6	177.9	-69.5	-79.8	0	0	0	112.2	P347 R349 R387	P347-F355 HydrophobicContact CB-CD1 4.33Å; R349-F355 HydrophobicContact CB-CD1 3.92Å; R349-F355 HydrophobicContact CB-CE1 3.76Å; R349-F355 HydrophobicContact CG-CD1 4.26Å; R349-F355 HydrophobicContact CG-CE1 4.05Å; R349-F355 HydrophobicContact CG-CZ 4.41Å; F355-R387 VanDerWaalsContact CE2-NH2 3.26Å
356	E	45.5	Very low	41.7	Very low	110 Å²	110	70.9 Å²	70.9	51%	0.514	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.8	169.3	-65.1	-170.4	163	0	0	109.6	P347 V348 S354	P347-E356 CarbonylContact C-O 3.56Å; P347-E356 WeakPolarHBondContact CA-O 3.24Å; V348-E356 PolarHBondContact N-O 3.05Å; V348-E356 PolarHBondContact O-N 2.92Å; S354-E356 PolarHBondContact O-N 3.47Å
357	T	46.5	Very low	41.7	Very low	110 Å²	110	76.7 Å²	76.7	68%	0.675	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	120	172.1	37.7	0	0	0	0	109.4
358	V	48	Very low	41.6	Very low	9 Å²	9	79.3 Å²	79.3	6%	0.055	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.1	178.9	-171.1	0	0	0	0	108.2	V346 V348 R362 L363	V346-V358 PolarHBondContact N-O 3.28Å; V346-V358 PolarHBondContact O-N 2.87Å; V348-V358 HydrophobicContact CB-CG2 4Å; V348-V358 HydrophobicContact CG2-CB 3.85Å; V348-V358 HydrophobicContact CG2-CG2 3.59Å; V358-R362 HydrophobicContact CG1-CB 4.01Å; V358-R362 HydrophobicContact CG1-CG 4Å; V358-L363 HydrophobicContact CB-CD1 4.33Å; V358-L363 HydrophobicContact CB-CG 4.25Å; V358-L363 HydrophobicContact CG1-CD1 4.43Å; V358-L363 HydrophobicContact CG1-CG 3.86Å
359	S	48.5	Very low	41.6	Very low	41 Å²	41	85 Å²	85	29%	0.287	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	143	178.3	69.4	0	0	0	0	110.8	V344 D345 G361 R362 L363	V344-S359 CarbonylContact O-C 3.09Å; V344-S359 WeakPolarHBondContact O-CA 3.49Å; D345-S359 WeakPolarHBondContact OD1-CA 3.46Å; D345-S359 WeakPolarHBondContact OD1-CB 3.36Å; S359-G361 PolarHBondContact O-N 3.21Å; S359-R362 WeakPolarHBondContact O-CA 3.17Å; S359-R362 WeakPolarHBondContact O-CB 3.23Å; S359-R362 PolarHBondContact O-N 3.01Å; S359-R362 VanDerWaalsContact OG-CB 3.29Å; S359-R362 WeakPolarHBondContact OG-CB 3.06Å; S359-R362 PolarHBondContact OG-N 3.36Å; S359-L363 PolarHBondContact O-N 3.21Å
360	L	43.6	Very low	41.3	Very low	45 Å²	45	82.1 Å²	82.1	24%	0.236	45%	0.449	C	S	.	.	H	α-helix	trans	-56.5	-36.7	178.6	-169.8	76.6	0	0	0	111.2	V344 V346 L363 F364 A397 I398	V344-L360 HydrophobicContact CB-CB 4.2Å; V344-L360 WeakPolarHBondContact O-CB 3.23Å; V344-L360 PolarHBondContact O-N 2.98Å; V346-L360 HydrophobicContact CG2-CB 4.14Å; V346-L360 HydrophobicContact CG2-CD1 3.87Å; L360-L363 PolarHBondContact O-N 3.28Å; L360-F364 WeakPolarHBondContact O-CB 3.27Å; L360-F364 PolarHBondContact O-N 2.62Å; L360-A397 HydrophobicContact CD2-CB 3.74Å; L360-I398 HydrophobicContact CD1-CD1 4.5Å; L360-I398 HydrophobicContact CD1-CG1 3.87Å
361	G	41	Very low	41.5	Very low	38 Å²	38	82.9 Å²	82.9	39%	0.392	46%	0.461	S	S	.	.	H	α-helix	trans	-64	-36.4	172.7	0	0	0	0	0	113.4	S359 F364 W365	S359-G361 PolarHBondContact O-N 3.21Å; G361-F364 WeakPolarHBondContact O-CB 3.17Å; G361-F364 PolarHBondContact O-N 3.18Å; G361-W365 PolarHBondContact O-N 3.45Å
362	R	46.2	Very low	41.9	Very low	145 Å²	145	78 Å²	78	55%	0.547	45%	0.448	S	S	.	.	H	α-helix	trans	-72.7	-40.8	175	-178.6	172.3	175.2	-170.3	0.7	112	V358 S359 F364 W365 D366	V358-R362 HydrophobicContact CG1-CB 4.01Å; V358-R362 HydrophobicContact CG1-CG 4Å; S359-R362 WeakPolarHBondContact O-CA 3.17Å; S359-R362 WeakPolarHBondContact O-CB 3.23Å; S359-R362 PolarHBondContact O-N 3.01Å; S359-R362 VanDerWaalsContact OG-CB 3.29Å; S359-R362 WeakPolarHBondContact OG-CB 3.06Å; S359-R362 PolarHBondContact OG-N 3.36Å; R362-F364 VanDerWaalsContact C-N 3.26Å; R362-F364 PolarHBondContact O-N 3.42Å; R362-W365 PolarHBondContact O-N 3.03Å; R362-D366 IonicContact NE-OD2 3.77Å; R362-D366 WeakPolarHBondContact O-CB 3.41Å; R362-D366 PolarHBondContact O-N 2.8Å
363	L	48.1	Very low	42.1	Very low	6 Å²	6	76.4 Å²	76.4	3%	0.031	44%	0.435	C	S	.	.	H	α-helix	trans	-57.9	-40.5	171.4	-82.6	160.9	0	0	0	111.9	V346 V348 V358 S359 L360 W367 A380	V346-L363 HydrophobicContact CB-CD1 3.94Å; V346-L363 HydrophobicContact CG1-CD1 4.34Å; V346-L363 HydrophobicContact CG2-CD1 4.27Å; V348-L363 HydrophobicContact CG2-CD1 4.05Å; V348-L363 HydrophobicContact CG2-CD2 4.09Å; V348-L363 HydrophobicContact CG2-CG 4.47Å; V358-L363 HydrophobicContact CB-CD1 4.33Å; V358-L363 HydrophobicContact CB-CG 4.25Å; V358-L363 HydrophobicContact CG1-CD1 4.43Å; V358-L363 HydrophobicContact CG1-CG 3.86Å; S359-L363 PolarHBondContact O-N 3.21Å; L360-L363 PolarHBondContact O-N 3.28Å; L363-W367 VanDerWaalsContact O-CB 3.29Å; L363-W367 WeakPolarHBondContact O-CB 3.28Å; L363-W367 PolarHBondContact O-N 2.89Å; L363-W367 VanDerWaalsContact O-N 3.08Å; L363-A380 HydrophobicContact CD1-CB 4.33Å
364	F	40.3	Very low	42.2	Very low	86 Å²	86	78.1 Å²	78.1	38%	0.377	44%	0.441	S	S	.	.	H	α-helix	trans	-62.4	-47.5	174.4	172.2	-96.9	0	0	0	112.6	L360 G361 R362 L368 F405	L360-F364 WeakPolarHBondContact O-CB 3.27Å; L360-F364 PolarHBondContact O-N 2.62Å; G361-F364 WeakPolarHBondContact O-CB 3.17Å; G361-F364 PolarHBondContact O-N 3.18Å; R362-F364 VanDerWaalsContact C-N 3.26Å; R362-F364 PolarHBondContact O-N 3.42Å; F364-L368 HydrophobicContact CD1-CD1 3.89Å; F364-L368 HydrophobicContact CD2-CD1 4.34Å; F364-L368 HydrophobicContact CE1-CD1 3.36Å; F364-L368 HydrophobicContact CE2-CD1 3.87Å; F364-L368 HydrophobicContact CG-CD1 4.36Å; F364-L368 HydrophobicContact CZ-CD1 3.35Å; F364-L368 WeakPolarHBondContact O-CB 3.48Å; F364-L368 PolarHBondContact O-N 2.91Å; F364-F405 HydrophobicContact CD2-CZ 4.25Å; F364-F405 HydrophobicContact CE2-CE1 4.45Å
365	W	44.1	Very low	42.2	Very low	150 Å²	150	75.6 Å²	75.6	57%	0.568	42%	0.42	S	S	*	.	H	α-helix	trans	-73.1	-36.6	179.1	-72	120.4	0	0	0	113.7	G361 R362 W367 L368 N369	G361-W365 PolarHBondContact O-N 3.45Å; R362-W365 PolarHBondContact O-N 3.03Å; W365-W367 VanDerWaalsContact C-N 3.31Å; W365-L368 HydrophobicContact CE3-CB 4.35Å; W365-L368 HydrophobicContact CE3-CD1 3.96Å; W365-L368 HydrophobicContact CZ3-CD1 3.99Å; W365-L368 PolarHBondContact O-N 2.93Å; W365-N369 WeakPolarHBondContact O-CB 3.49Å; W365-N369 PolarHBondContact O-N 3.38Å; W365-N369 PolarHBondContact O-ND2 2.95Å
366	D	48.2	Very low	42.4	Very low	43 Å²	43	74.5 Å²	74.5	23%	0.23	42%	0.418	C	S	.	.	H	α-helix	trans	-64.2	-39.3	175.4	-74.8	-0.7	0	0	0	110.1	R362 G371 N375	R362-D366 IonicContact NE-OD2 3.77Å; R362-D366 WeakPolarHBondContact O-CB 3.41Å; R362-D366 PolarHBondContact O-N 2.8Å; D366-G371 VanDerWaalsContact O-CA 3.31Å; D366-G371 WeakPolarHBondContact O-CA 3.19Å; D366-G371 PolarHBondContact O-N 3.13Å; D366-N375 PolarHBondContact OD2-ND2 3.49Å
367	W	41.5	Very low	41.9	Very low	123 Å²	123	71 Å²	71	47%	0.466	41%	0.405	S	S	.	.	H	α-helix	trans	-66	-46.5	173.2	178.7	83.9	0	0	0	112.6	L363 W365 N369 G370 V377 F405	L363-W367 VanDerWaalsContact O-CB 3.29Å; L363-W367 WeakPolarHBondContact O-CB 3.28Å; L363-W367 PolarHBondContact O-N 2.89Å; L363-W367 VanDerWaalsContact O-N 3.08Å; W365-W367 VanDerWaalsContact C-N 3.31Å; W367-N369 VanDerWaalsContact C-N 3.27Å; W367-N369 PolarHBondContact O-N 2.93Å; W367-G370 PolarHBondContact O-N 3.45Å; W367-V377 HydrophobicContact CB-CG2 3.99Å; W367-V377 HydrophobicContact CG-CG2 3.9Å; W367-F405 AromaticContact CE3-CE1 3.99Å; W367-F405 HydrophobicContact CE3-CE1 3.99Å; W367-F405 HydrophobicContact CE3-CZ 4.17Å; W367-F405 HydrophobicContact CH2-CD1 4.01Å; W367-F405 AromaticContact CH2-CE1 3.73Å; W367-F405 HydrophobicContact CH2-CE1 3.73Å; W367-F405 HydrophobicContact CH2-CZ 4.44Å; W367-F405 HydrophobicContact CZ3-CD1 4.15Å; W367-F405 AromaticContact CZ3-CE1 3.44Å; W367-F405 HydrophobicContact CZ3-CE1 3.44Å; W367-F405 VanDerWaalsContact CZ3-CE1 3.44Å; W367-F405 HydrophobicContact CZ3-CZ 4.08Å
368	L	33.8	Very low	41.4	Very low	87 Å²	87	67.3 Å²	67.3	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-33.8	178.5	-104.4	158.3	0	0	0	113.6	F364 W365 G370	F364-L368 HydrophobicContact CD1-CD1 3.89Å; F364-L368 HydrophobicContact CD2-CD1 4.34Å; F364-L368 HydrophobicContact CE1-CD1 3.36Å; F364-L368 HydrophobicContact CE2-CD1 3.87Å; F364-L368 HydrophobicContact CG-CD1 4.36Å; F364-L368 HydrophobicContact CZ-CD1 3.35Å; F364-L368 WeakPolarHBondContact O-CB 3.48Å; F364-L368 PolarHBondContact O-N 2.91Å; W365-L368 HydrophobicContact CE3-CB 4.35Å; W365-L368 HydrophobicContact CE3-CD1 3.96Å; W365-L368 HydrophobicContact CZ3-CD1 3.99Å; W365-L368 PolarHBondContact O-N 2.93Å; L368-G370 VanDerWaalsContact C-N 3.31Å; L368-G370 PolarHBondContact O-N 3.22Å
369	N	40.3	Very low	41	Very low	123 Å²	123	68 Å²	68	66%	0.658	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	10.5	-178.5	-68.6	-49.9	0	0	0	113.7	W365 W367 G371	W365-N369 WeakPolarHBondContact O-CB 3.49Å; W365-N369 PolarHBondContact O-N 3.38Å; W365-N369 PolarHBondContact O-ND2 2.95Å; W367-N369 VanDerWaalsContact C-N 3.27Å; W367-N369 PolarHBondContact O-N 2.93Å; N369-G371 VanDerWaalsContact C-N 3.31Å; N369-G371 PolarHBondContact O-N 3.4Å
370	G	31.3	Very low	40.5	Very low	69 Å²	69	66.3 Å²	66.3	71%	0.711	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	32.5	-178.5	0	0	0	0	0	113.5	W367 L368	W367-G370 PolarHBondContact O-N 3.45Å; L368-G370 VanDerWaalsContact C-N 3.31Å; L368-G370 PolarHBondContact O-N 3.22Å
371	G	42.4	Very low	40.1	Very low	42 Å²	42	70.3 Å²	70.3	43%	0.433	39%	0.391	S	S	.	.			trans	-62.6	171	180	0	0	0	0	0	113.9	D366 N369	D366-G371 VanDerWaalsContact O-CA 3.31Å; D366-G371 WeakPolarHBondContact O-CA 3.19Å; D366-G371 PolarHBondContact O-N 3.13Å; N369-G371 VanDerWaalsContact C-N 3.31Å; N369-G371 PolarHBondContact O-N 3.4Å
372	S	42.3	Very low	39.9	Very low	67 Å²	67	76 Å²	76	47%	0.469	41%	0.405	S	S	.	.			trans	-50.6	141.7	-172.3	-171.7	0	0	0	0	112.9	D374 N375	S372-D374 PolarHBondContact O-N 3.49Å; S372-D374 PolarHBondContact OG-N 3.46Å; S372-D374 PolarHBondContact OG-OD2 2.83Å; S372-N375 PolarHBondContact O-N 3.08Å
373	A	37.5	Very low	39.6	Very low	80 Å²	80	70.6 Å²	70.6	66%	0.661	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-55.5	-16.5	171	0	0	0	0	0	113.5	N375 I379	A373-N375 VanDerWaalsContact C-N 3.33Å; A373-I379 VanDerWaalsContact O-CD1 3.25Å; A373-I379 WeakPolarHBondContact O-CD1 3.01Å
374	D	36.7	Very low	38.9	Very low	80 Å²	80	71.1 Å²	71.1	43%	0.428	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-71.2	-24.1	173.5	-52.3	-57.1	0	0	0	113.6	S372	S372-D374 PolarHBondContact O-N 3.49Å; S372-D374 PolarHBondContact OG-N 3.46Å; S372-D374 PolarHBondContact OG-OD2 2.83Å
375	N	40	Very low	38.4	Very low	41 Å²	41	70.7 Å²	70.7	22%	0.219	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-102.2	22.6	179	-81	4.8	0	0	0	112.7	D366 S372 A373 V377	D366-N375 PolarHBondContact OD2-ND2 3.49Å; S372-N375 PolarHBondContact O-N 3.08Å; A373-N375 VanDerWaalsContact C-N 3.33Å; N375-V377 PolarHBondContact O-N 3.21Å
376	D	44	Very low	37.7	Very low	70 Å²	70	67.6 Å²	67.6	37%	0.374	41%	0.408	S	S	.	.			trans	-60.7	135.3	-178.8	177.5	21.3	0	0	0	112.5	G378 I379 A380	D376-G378 PolarHBondContact O-N 3.45Å; D376-G378 PolarHBondContact OD1-N 2.93Å; D376-G378 WeakPolarHBondContact OD2-CA 3.37Å; D376-G378 PolarHBondContact OD2-N 2.91Å; D376-I379 HydrophobicContact CB-CB 4.35Å; D376-I379 HydrophobicContact CB-CD1 4.11Å; D376-I379 HydrophobicContact CB-CG1 4.06Å; D376-I379 WeakPolarHBondContact O-CA 3.4Å; D376-I379 WeakPolarHBondContact O-CB 3.48Å; D376-I379 PolarHBondContact O-N 2.91Å; D376-A380 PolarHBondContact O-N 2.83Å
377	V	36.5	Very low	36.8	Very low	37 Å²	37	69.9 Å²	69.9	22%	0.224	41%	0.414	C	S	.	.	H	α-helix	trans	-55.4	-31.5	169.2	179.7	0	0	0	0	110.5	W367 N375 A380 W381	W367-V377 HydrophobicContact CB-CG2 3.99Å; W367-V377 HydrophobicContact CG-CG2 3.9Å; N375-V377 PolarHBondContact O-N 3.21Å; V377-A380 PolarHBondContact O-N 2.89Å; V377-W381 VanDerWaalsContact O-CB 3.26Å; V377-W381 WeakPolarHBondContact O-CB 3.05Å; V377-W381 PolarHBondContact O-N 2.67Å
378	G	34.2	Very low	36.2	Very low	31 Å²	31	68.6 Å²	68.6	32%	0.32	42%	0.42	S	S	.	.	H	α-helix	trans	-66.1	-29.5	170.7	0	0	0	0	0	114.8	D376 K382	D376-G378 PolarHBondContact O-N 3.45Å; D376-G378 PolarHBondContact OD1-N 2.93Å; D376-G378 WeakPolarHBondContact OD2-CA 3.37Å; D376-G378 PolarHBondContact OD2-N 2.91Å; G378-K382 WeakPolarHBondContact O-CB 3.4Å; G378-K382 WeakPolarHBondContact O-CG 3.17Å; G378-K382 PolarHBondContact O-N 3.47Å
379	I	40.4	Very low	35.9	Very low	25 Å²	25	69 Å²	69	13%	0.128	42%	0.42	C	S	.	.	H	α-helix	trans	-77.9	-40.3	172.3	-68.2	172.8	0	0	0	110.3	F351 A373 D376 W381 K382 N383	F351-I379 HydrophobicContact CE2-CD1 3.97Å; A373-I379 VanDerWaalsContact O-CD1 3.25Å; A373-I379 WeakPolarHBondContact O-CD1 3.01Å; D376-I379 HydrophobicContact CB-CB 4.35Å; D376-I379 HydrophobicContact CB-CD1 4.11Å; D376-I379 HydrophobicContact CB-CG1 4.06Å; D376-I379 WeakPolarHBondContact O-CA 3.4Å; D376-I379 WeakPolarHBondContact O-CB 3.48Å; D376-I379 PolarHBondContact O-N 2.91Å; I379-W381 VanDerWaalsContact C-N 3.31Å; I379-W381 PolarHBondContact O-N 3.47Å; I379-K382 PolarHBondContact O-N 3.23Å; I379-N383 WeakPolarHBondContact CG2-ND2 3.49Å; I379-N383 WeakPolarHBondContact O-CB 3.42Å; I379-N383 PolarHBondContact O-N 2.99Å; I379-N383 PolarHBondContact O-ND2 3.24Å
380	A	37.5	Very low	35.3	Very low	4 Å²	4	64.5 Å²	64.5	3%	0.033	40%	0.399	C	S	.	.	H	α-helix	trans	-59.3	-43.8	170.3	0	0	0	0	0	111.1	L363 D376 V377 N383 L384	L363-A380 HydrophobicContact CD1-CB 4.33Å; D376-A380 PolarHBondContact O-N 2.83Å; V377-A380 PolarHBondContact O-N 2.89Å; A380-N383 PolarHBondContact O-N 3.31Å; A380-L384 WeakPolarHBondContact O-CB 3.42Å; A380-L384 PolarHBondContact O-N 2.91Å
381	W	35.7	Very low	35.2	Very low	130 Å²	130	62.1 Å²	62.1	49%	0.492	38%	0.375	S	S	.	.	H	α-helix	trans	-60.6	-47.8	174.4	-171.3	-74.2	0	0	0	112.2	V377 I379 N383 L384 A385 I398 A402	V377-W381 VanDerWaalsContact O-CB 3.26Å; V377-W381 WeakPolarHBondContact O-CB 3.05Å; V377-W381 PolarHBondContact O-N 2.67Å; I379-W381 VanDerWaalsContact C-N 3.31Å; I379-W381 PolarHBondContact O-N 3.47Å; W381-N383 PolarHBondContact O-N 2.83Å; W381-L384 PolarHBondContact O-N 2.86Å; W381-A385 VanDerWaalsContact O-CB 3.24Å; W381-A385 WeakPolarHBondContact O-CB 3.23Å; W381-A385 PolarHBondContact O-N 3.06Å; W381-I398 HydrophobicContact CE3-CG2 3.4Å; W381-I398 HydrophobicContact CZ3-CG2 3.51Å; W381-A402 HydrophobicContact CZ3-CB 4.44Å
382	K	37.3	Very low	34.5	Very low	157 Å²	157	64 Å²	64	68%	0.683	38%	0.375	S	S	*	.	H	α-helix	trans	-60.4	-41.6	174.5	-84.9	177.6	175.5	172	0	112.5	G378 I379 A386	G378-K382 WeakPolarHBondContact O-CB 3.4Å; G378-K382 WeakPolarHBondContact O-CG 3.17Å; G378-K382 PolarHBondContact O-N 3.47Å; I379-K382 PolarHBondContact O-N 3.23Å; K382-A386 WeakPolarHBondContact O-CB 3.08Å; K382-A386 PolarHBondContact O-N 3.38Å
383	N	38.9	Very low	33.9	Very low	31 Å²	31	63.8 Å²	63.8	17%	0.166	37%	0.365	C	S	.	.	H	α-helix	trans	-70.6	-30.3	179.5	-77.7	-48.1	0	0	0	113	R349 I379 A380 W381 R387	R349-N383 PolarHBondContact N-ND2 3.39Å; I379-N383 WeakPolarHBondContact CG2-ND2 3.49Å; I379-N383 WeakPolarHBondContact O-CB 3.42Å; I379-N383 PolarHBondContact O-N 2.99Å; I379-N383 PolarHBondContact O-ND2 3.24Å; A380-N383 PolarHBondContact O-N 3.31Å; W381-N383 PolarHBondContact O-N 2.83Å; N383-R387 WeakPolarHBondContact O-CG 3.44Å
384	L	34.7	Very low	33.6	Very low	17 Å²	17	60.7 Å²	60.7	9%	0.089	34%	0.338	C	S	.	.	H	α-helix	trans	-75	-49.7	171.1	-108.6	108.5	0	0	0	112.4	V346 A380 W381 A386 R387 A390 P394 V395 I398	V346-L384 HydrophobicContact CG1-CD1 3.55Å; A380-L384 WeakPolarHBondContact O-CB 3.42Å; A380-L384 PolarHBondContact O-N 2.91Å; W381-L384 PolarHBondContact O-N 2.86Å; L384-A386 PolarHBondContact O-N 3.25Å; L384-R387 PolarHBondContact O-N 2.6Å; L384-A390 HydrophobicContact CD2-CB 3.84Å; L384-A390 HydrophobicContact CG-CB 4.14Å; L384-P394 HydrophobicContact CD2-CB 3.99Å; L384-P394 HydrophobicContact CD2-CG 4.23Å; L384-V395 HydrophobicContact CD2-CG2 3.99Å; L384-I398 HydrophobicContact CD1-CD1 3.56Å; L384-I398 HydrophobicContact CD2-CD1 4.13Å; L384-I398 HydrophobicContact CG-CD1 4.4Å
385	A	29.8	Very low	33.4	Very low	78 Å²	78	59.8 Å²	59.8	65%	0.645	34%	0.335	S	S	*	.	H	α-helix	trans	-62.7	-27.4	179.9	0	0	0	0	0	112.5	W381 R387	W381-A385 VanDerWaalsContact O-CB 3.24Å; W381-A385 WeakPolarHBondContact O-CB 3.23Å; W381-A385 PolarHBondContact O-N 3.06Å; A385-R387 VanDerWaalsContact C-N 3.26Å; A385-R387 PolarHBondContact O-N 3.05Å
386	A	28.7	Very low	32.9	Very low	84 Å²	84	59.9 Å²	59.9	69%	0.694	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.2	172.8	0	0	0	0	0	114.5	K382 L384	K382-A386 WeakPolarHBondContact O-CB 3.08Å; K382-A386 PolarHBondContact O-N 3.38Å; L384-A386 PolarHBondContact O-N 3.25Å
387	R	29.6	Very low	32.4	Very low	91 Å²	91	57.4 Å²	57.4	34%	0.343	33%	0.329	S	S	.	.			trans	-119.6	103.5	-175.6	-78.3	-178.8	163.4	-153.8	-2.8	112.5	F355 N383 L384 A385 Q389 A390	F355-R387 VanDerWaalsContact CE2-NH2 3.26Å; N383-R387 WeakPolarHBondContact O-CG 3.44Å; L384-R387 PolarHBondContact O-N 2.6Å; A385-R387 VanDerWaalsContact C-N 3.26Å; A385-R387 PolarHBondContact O-N 3.05Å; R387-Q389 PolarHBondContact O-N 3.22Å; R387-A390 HydrophobicContact CB-CB 4.46Å; R387-A390 PolarHBondContact O-N 3.03Å; R387-A390 VanDerWaalsContact O-N 3.07Å
388	T	27.8	Very low	32.2	Very low	97 Å²	97	56.3 Å²	56.3	60%	0.595	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	6.6	173.2	48.3	0	0	0	0	116.3	R41	R41-T388 HydrophobicContact CB-CG2 4.08Å; R41-T388 VanDerWaalsContact O-CB 3.32Å; R41-T388 WeakPolarHBondContact O-CB 3.47Å
389	Q	28.4	Very low	32.1	Very low	96 Å²	96	58 Å²	58	45%	0.449	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	5.9	179.5	-70.4	-175	-35.3	0	0	112.8	D329 R387 G391	D329-Q389 PolarHBondContact OD2-NE2 3.5Å; R387-Q389 PolarHBondContact O-N 3.22Å; Q389-G391 PolarHBondContact O-N 2.7Å
390	A	27.3	Very low	31.7	Very low	28 Å²	28	62.1 Å²	62.1	23%	0.231	35%	0.345	C	S	.	.			trans	-72.9	99.4	172.9	0	0	0	0	0	109.3	L384 R387	L384-A390 HydrophobicContact CD2-CB 3.84Å; L384-A390 HydrophobicContact CG-CB 4.14Å; R387-A390 HydrophobicContact CB-CB 4.46Å; R387-A390 PolarHBondContact O-N 3.03Å; R387-A390 VanDerWaalsContact O-N 3.07Å
391	G	28.6	Very low	31.5	Very low	19 Å²	19	63 Å²	63	20%	0.196	35%	0.353	C	S	.	.			trans	-57.8	166	-177.8	0	0	0	0	0	113.8	Q389 K393 P394	Q389-G391 PolarHBondContact O-N 2.7Å; G391-K393 PolarHBondContact O-N 2.97Å; G391-P394 WeakPolarHBondContact O-CD 3.34Å; G391-P394 WeakPolarHBondContact O-CG 3.44Å
392	L	29	Very low	31.3	Very low	82 Å²	82	58.1 Å²	58.1	43%	0.429	34%	0.341	S	S	.	.	H	α-helix	trans	-58	-22	-173.6	-76.3	163.6	0	0	0	114.5	S396	L392-S396 VanDerWaalsContact O-CB 3.25Å; L392-S396 WeakPolarHBondContact O-CB 3.26Å; L392-S396 PolarHBondContact O-N 3.3Å; L392-S396 PolarHBondContact O-OG 3.13Å
393	K	30	Very low	30.9	Very low	61 Å²	61	54.8 Å²	54.8	27%	0.265	33%	0.327	S	S	.	.	H	α-helix	trans	-66	-58.4	-179.6	-80	173.9	178.6	161.4	0	114.7	D324 G391 V395 S396 A397	D324-K393 WeakPolarHBondContact OD2-CE 3.3Å; D324-K393 IonicContact OD2-NZ 3.67Å; D324-K393 PolarHBondContact OD2-NZ 2.7Å; G391-K393 PolarHBondContact O-N 2.97Å; K393-V395 VanDerWaalsContact C-N 3.25Å; K393-V395 PolarHBondContact O-N 2.89Å; K393-S396 PolarHBondContact O-N 2.83Å; K393-S396 PolarHBondContact O-OG 2.72Å; K393-A397 VanDerWaalsContact O-CB 3.3Å; K393-A397 WeakPolarHBondContact O-CB 3.41Å; K393-A397 PolarHBondContact O-N 2.98Å
394	P	30.4	Very low	30.4	Very low	16 Å²	16	59.7 Å²	59.7	10%	0.104	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-29.2	175.1	26.1	-37.6	0	0	0	112.5	W335 L384 G391 I398	W335-P394 HydrophobicContact CH2-CG 4.23Å; L384-P394 HydrophobicContact CD2-CB 3.99Å; L384-P394 HydrophobicContact CD2-CG 4.23Å; G391-P394 WeakPolarHBondContact O-CD 3.34Å; G391-P394 WeakPolarHBondContact O-CG 3.44Å; P394-I398 VanDerWaalsContact O-CB 3.26Å; P394-I398 WeakPolarHBondContact O-CB 3.33Å; P394-I398 WeakPolarHBondContact O-CD1 3.32Å; P394-I398 WeakPolarHBondContact O-CG1 3.37Å; P394-I398 PolarHBondContact O-N 2.96Å
395	V	32.1	Very low	30.1	Very low	60 Å²	60	62.9 Å²	62.9	36%	0.364	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-54.5	170.5	179.4	0	0	0	0	110.5	L384 K393 A397 I398 T399	L384-V395 HydrophobicContact CD2-CG2 3.99Å; K393-V395 VanDerWaalsContact C-N 3.25Å; K393-V395 PolarHBondContact O-N 2.89Å; V395-A397 VanDerWaalsContact C-N 3.35Å; V395-A397 PolarHBondContact O-N 3.13Å; V395-I398 CarbonylContact O-C 3.52Å; V395-I398 PolarHBondContact O-N 3.14Å; V395-I398 VanDerWaalsContact O-N 3.13Å; V395-T399 WeakPolarHBondContact O-CB 3.18Å; V395-T399 PolarHBondContact O-N 3.45Å; V395-T399 PolarHBondContact O-OG1 2.98Å
396	S	30.1	Very low	29.8	Very low	43 Å²	43	63.9 Å²	63.9	30%	0.301	36%	0.364	S	S	.	.	H	α-helix	trans	-68.7	-26	-179.8	54.4	0	0	0	0	114.1	L392 K393 M400	L392-S396 VanDerWaalsContact O-CB 3.25Å; L392-S396 WeakPolarHBondContact O-CB 3.26Å; L392-S396 PolarHBondContact O-N 3.3Å; L392-S396 PolarHBondContact O-OG 3.13Å; K393-S396 PolarHBondContact O-N 2.83Å; K393-S396 PolarHBondContact O-OG 2.72Å; S396-M400 VanDerWaalsContact O-CB 3.32Å; S396-M400 WeakPolarHBondContact O-CB 3.26Å; S396-M400 PolarHBondContact O-N 3.04Å
397	A	32.5	Very low	29.6	Very low	18 Å²	18	65.2 Å²	65.2	15%	0.149	35%	0.351	C	S	.	.	H	α-helix	trans	-71.1	-37.4	169.8	0	0	0	0	0	111.8	L360 K393 V395 A401	L360-A397 HydrophobicContact CD2-CB 3.74Å; K393-A397 VanDerWaalsContact O-CB 3.3Å; K393-A397 WeakPolarHBondContact O-CB 3.41Å; K393-A397 PolarHBondContact O-N 2.98Å; V395-A397 VanDerWaalsContact C-N 3.35Å; V395-A397 PolarHBondContact O-N 3.13Å; A397-A401 WeakPolarHBondContact O-CB 3.11Å; A397-A401 PolarHBondContact O-N 2.86Å
398	I	33.6	Very low	29.4	Very low	15 Å²	15	69.6 Å²	69.6	8%	0.077	37%	0.373	C	S	.	.	H	α-helix	trans	-77	-26.9	173.8	-69	169	0	0	0	111.3	L360 W381 L384 P394 V395 A402	L360-I398 HydrophobicContact CD1-CD1 4.5Å; L360-I398 HydrophobicContact CD1-CG1 3.87Å; W381-I398 HydrophobicContact CE3-CG2 3.4Å; W381-I398 HydrophobicContact CZ3-CG2 3.51Å; L384-I398 HydrophobicContact CD1-CD1 3.56Å; L384-I398 HydrophobicContact CD2-CD1 4.13Å; L384-I398 HydrophobicContact CG-CD1 4.4Å; P394-I398 VanDerWaalsContact O-CB 3.26Å; P394-I398 WeakPolarHBondContact O-CB 3.33Å; P394-I398 WeakPolarHBondContact O-CD1 3.32Å; P394-I398 WeakPolarHBondContact O-CG1 3.37Å; P394-I398 PolarHBondContact O-N 2.96Å; V395-I398 CarbonylContact O-C 3.52Å; V395-I398 PolarHBondContact O-N 3.14Å; V395-I398 VanDerWaalsContact O-N 3.13Å; I398-A402 VanDerWaalsContact O-CB 3.27Å; I398-A402 WeakPolarHBondContact O-CB 3.25Å; I398-A402 PolarHBondContact O-N 3.02Å
399	T	32	Very low	29.2	Very low	65 Å²	65	73.6 Å²	73.6	40%	0.399	38%	0.382	S	S	.	.	H	α-helix	trans	-76.8	-36.5	170.9	-52.4	0	0	0	0	111.6	V395 A402 E403	V395-T399 WeakPolarHBondContact O-CB 3.18Å; V395-T399 PolarHBondContact O-N 3.45Å; V395-T399 PolarHBondContact O-OG1 2.98Å; T399-A402 CarbonylContact O-C 3.13Å; T399-A402 PolarHBondContact O-N 3.44Å; T399-E403 PolarHBondContact O-N 3.31Å
400	M	32.3	Very low	29	Very low	112 Å²	112	80.4 Å²	80.4	55%	0.552	40%	0.404	S	S	*	.	H	α-helix	trans	-62.3	-43.9	166.3	-102.7	-179.5	-79.1	0	0	110.5	S396 A402 E403 L404	S396-M400 VanDerWaalsContact O-CB 3.32Å; S396-M400 WeakPolarHBondContact O-CB 3.26Å; S396-M400 PolarHBondContact O-N 3.04Å; M400-A402 VanDerWaalsContact C-N 3.32Å; M400-A402 PolarHBondContact O-N 3.26Å; M400-E403 PolarHBondContact O-N 3.41Å; M400-L404 VanDerWaalsContact O-CB 3.27Å; M400-L404 WeakPolarHBondContact O-CB 3.2Å; M400-L404 WeakPolarHBondContact O-CD1 3.26Å; M400-L404 WeakPolarHBondContact O-CG 3.12Å; M400-L404 PolarHBondContact O-N 3.34Å
401	A	33.1	Very low	28.7	Very low	23 Å²	23	82.9 Å²	82.9	19%	0.19	42%	0.418	C	S	.	.	H	α-helix	trans	-59.1	-45.9	172.1	0	0	0	0	0	110.4	A397 E403 L404 F405	A397-A401 WeakPolarHBondContact O-CB 3.11Å; A397-A401 PolarHBondContact O-N 2.86Å; A401-E403 PolarHBondContact O-N 3.38Å; A401-L404 CarbonylContact O-C 3.34Å; A401-L404 PolarHBondContact O-N 3.38Å; A401-F405 HydrophobicContact CB-CD2 4.21Å; A401-F405 HydrophobicContact CB-CE2 3.8Å; A401-F405 WeakPolarHBondContact O-CB 3.04Å; A401-F405 WeakPolarHBondContact O-CD2 3.32Å; A401-F405 WeakPolarHBondContact O-CG 3.19Å; A401-F405 PolarHBondContact O-N 2.69Å
402	A	31	Very low	28.4	Very low	28 Å²	28	91.8 Å²	91.8	23%	0.231	45%	0.451	C	S	.	.	H	α-helix	trans	-64.8	-36.1	177.6	0	0	0	0	0	113.7	W381 I398 T399 M400 F405 T406	W381-A402 HydrophobicContact CZ3-CB 4.44Å; I398-A402 VanDerWaalsContact O-CB 3.27Å; I398-A402 WeakPolarHBondContact O-CB 3.25Å; I398-A402 PolarHBondContact O-N 3.02Å; T399-A402 CarbonylContact O-C 3.13Å; T399-A402 PolarHBondContact O-N 3.44Å; M400-A402 VanDerWaalsContact C-N 3.32Å; M400-A402 PolarHBondContact O-N 3.26Å; A402-F405 CarbonylContact O-C 3.51Å; A402-F405 PolarHBondContact O-N 3.12Å; A402-T406 WeakPolarHBondContact O-CB 3.36Å; A402-T406 WeakPolarHBondContact O-CG2 2.99Å; A402-T406 PolarHBondContact O-N 3.2Å; A402-T406 PolarHBondContact O-OG1 3.41Å
403	E	28.3	Very low	28.1	Very low	87 Å²	87	91.6 Å²	91.6	41%	0.407	46%	0.461	S	S	.	.	H	α-helix	trans	-67.9	-44.1	170.6	-87.8	-147.7	121.3	0	0	111	T399 M400 A401 F405 T406 R407	T399-E403 PolarHBondContact O-N 3.31Å; M400-E403 PolarHBondContact O-N 3.41Å; A401-E403 PolarHBondContact O-N 3.38Å; E403-F405 PolarHBondContact O-N 2.81Å; E403-T406 WeakPolarHBondContact CA-OG1 3.5Å; E403-T406 CarbonylContact O-C 3.51Å; E403-T406 PolarHBondContact O-N 3.27Å; E403-R407 WeakPolarHBondContact O-CA 3.23Å; E403-R407 WeakPolarHBondContact O-CB 3.07Å; E403-R407 PolarHBondContact O-N 3.35Å; E403-R407 WeakPolarHBondContact OE1-CD 3.46Å; E403-R407 IonicContact OE1-CZ 2.71Å; E403-R407 IonicContact OE1-NE 3.53Å; E403-R407 IonicContact OE1-NH1 3.92Å; E403-R407 PolarHBondContact OE1-NH1 2.93Å
404	L	28.4	Very low	27.9	Very low	133 Å²	133	96.2 Å²	96.2	70%	0.696	49%	0.488	S	S	*	.	H	α-helix	trans	-62.6	-26.3	172.7	-69.4	164.6	0	0	0	112.2	M400 A401	M400-L404 VanDerWaalsContact O-CB 3.27Å; M400-L404 WeakPolarHBondContact O-CB 3.2Å; M400-L404 WeakPolarHBondContact O-CD1 3.26Å; M400-L404 WeakPolarHBondContact O-CG 3.12Å; M400-L404 PolarHBondContact O-N 3.34Å; A401-L404 CarbonylContact O-C 3.34Å; A401-L404 PolarHBondContact O-N 3.38Å
405	F	28.1	Very low	27.5	Very low	84 Å²	84	100.1 Å²	100.1	37%	0.368	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.7	172.4	-63.7	-46	0	0	0	114	F364 W367 A401 A402 E403	F364-F405 HydrophobicContact CD2-CZ 4.25Å; F364-F405 HydrophobicContact CE2-CE1 4.45Å; W367-F405 AromaticContact CE3-CE1 3.99Å; W367-F405 HydrophobicContact CE3-CE1 3.99Å; W367-F405 HydrophobicContact CE3-CZ 4.17Å; W367-F405 HydrophobicContact CH2-CD1 4.01Å; W367-F405 AromaticContact CH2-CE1 3.73Å; W367-F405 HydrophobicContact CH2-CE1 3.73Å; W367-F405 HydrophobicContact CH2-CZ 4.44Å; W367-F405 HydrophobicContact CZ3-CD1 4.15Å; W367-F405 AromaticContact CZ3-CE1 3.44Å; W367-F405 HydrophobicContact CZ3-CE1 3.44Å; W367-F405 VanDerWaalsContact CZ3-CE1 3.44Å; W367-F405 HydrophobicContact CZ3-CZ 4.08Å; A401-F405 HydrophobicContact CB-CD2 4.21Å; A401-F405 HydrophobicContact CB-CE2 3.8Å; A401-F405 WeakPolarHBondContact O-CB 3.04Å; A401-F405 WeakPolarHBondContact O-CD2 3.32Å; A401-F405 WeakPolarHBondContact O-CG 3.19Å; A401-F405 PolarHBondContact O-N 2.69Å; A402-F405 CarbonylContact O-C 3.51Å; A402-F405 PolarHBondContact O-N 3.12Å; E403-F405 PolarHBondContact O-N 2.81Å
406	T	25.5	Very low	27.1	Very low	99 Å²	99	103.1 Å²	103.1	61%	0.607	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.5	-16.2	-177.1	54.1	0	0	0	0	115.1	A402 E403	A402-T406 WeakPolarHBondContact O-CB 3.36Å; A402-T406 WeakPolarHBondContact O-CG2 2.99Å; A402-T406 PolarHBondContact O-N 3.2Å; A402-T406 PolarHBondContact O-OG1 3.41Å; E403-T406 WeakPolarHBondContact CA-OG1 3.5Å; E403-T406 CarbonylContact O-C 3.51Å; E403-T406 PolarHBondContact O-N 3.27Å
407	R	23.4	Very low	26.8	Very low	112 Å²	112	105.7 Å²	105.7	42%	0.423	56%	0.555	S	S	.	*	S	Bend	trans	-125.6	104	-178.5	-70.4	175.8	163.9	-167.8	-12.4	109.9	E403 D681	E403-R407 WeakPolarHBondContact O-CA 3.23Å; E403-R407 WeakPolarHBondContact O-CB 3.07Å; E403-R407 PolarHBondContact O-N 3.35Å; E403-R407 WeakPolarHBondContact OE1-CD 3.46Å; E403-R407 IonicContact OE1-CZ 2.71Å; E403-R407 IonicContact OE1-NE 3.53Å; E403-R407 IonicContact OE1-NH1 3.92Å; E403-R407 PolarHBondContact OE1-NH1 2.93Å; R407-D681 IonicContact CZ-OD1 3.92Å; R407-D681 VanDerWaalsContact CZ-OD1 3.26Å; R407-D681 IonicContact NH1-OD1 2.74Å; R407-D681 PolarHBondContact NH1-OD1 2.84Å; R407-D681 IonicContact NH2-OD1 2.62Å; R407-D681 PolarHBondContact NH2-OD1 2.98Å
408	K	24.7	Very low	26.6	Very low	183 Å²	183	113.6 Å²	113.6	80%	0.796	59%	0.586	S	S	*	*	S	Bend	trans	84.1	149.4	-175.3	-53.2	-179.1	-179.9	-177.9	0	114.2
409	F	24.3	Very low	26.2	Very low	181 Å²	181	122.5 Å²	122.5	79%	0.794	63%	0.625	S	S	*	*			trans	71.4	71.9	-174.5	-56.3	-78	0	0	0	118.1
410	W	23.3	Very low	25.9	Very low	239 Å²	239	124.6 Å²	124.6	91%	0.905	65%	0.648	S	S	*	*			trans	-115.9	109.7	147.9	-155.3	-64.5	0	0	0	108.5	K412	W410-K412 PolarHBondContact O-N 3.27Å
411	P	22.4	Very low	25.6	Very low	80 Å²	80	124 Å²	124	52%	0.519	66%	0.656	S	S	.	*			trans	-67.1	118.3	167.7	28	-31	0	0	0	107.8	A413	P411-A413 PolarHBondContact O-N 2.67Å
412	K	22.1	Very low	25.2	Very low	207 Å²	207	130.4 Å²	130.4	90%	0.9	69%	0.686	S	S	*	*	S	Bend	trans	-55.4	118.3	168.9	-85.8	179.7	174.1	175.5	0	107.7	W410	W410-K412 PolarHBondContact O-N 3.27Å
413	A	23.6	Very low	24.9	Very low	78 Å²	78	135.4 Å²	135.4	65%	0.645	72%	0.716	S	S	*	*			trans	60.9	104.9	-171.2	0	0	0	0	0	115.2	P411 P415	P411-A413 PolarHBondContact O-N 2.67Å; A413-P415 WeakPolarHBondContact O-CD 3.32Å
414	L	23.9	Very low	24.6	Very low	158 Å²	158	133.9 Å²	133.9	83%	0.827	72%	0.724	S	S	*	*			trans	-62.9	117.8	133	-82.3	166.7	0	0	0	106.7	S416	L414-S416 PolarHBondContact O-N 3.5Å
415	P	22.9	Very low	24.3	Very low	97 Å²	97	134.2 Å²	134.2	63%	0.63	73%	0.732	S	S	*	*			trans	-62.5	136.7	166.1	-14.1	29.5	0	0	0	107.6	A413 S417	A413-P415 WeakPolarHBondContact O-CD 3.32Å; P415-S417 PolarHBondContact O-N 2.88Å
416	S	23.8	Very low	24.2	Very low	124 Å²	124	136.3 Å²	136.3	87%	0.867	75%	0.751	S	S	*	*			trans	-74.4	55.9	173.7	61.4	0	0	0	0	111.2	L414 K418	L414-S416 PolarHBondContact O-N 3.5Å; S416-K418 PolarHBondContact O-N 3.08Å
417	S	24.3	Very low	24.2	Very low	97 Å²	97	135.1 Å²	135.1	68%	0.678	74%	0.741	S	S	*	*			trans	-88	99.9	174.7	53.6	0	0	0	0	109.5	P415 F419	P415-S417 PolarHBondContact O-N 2.88Å; S417-F419 PolarHBondContact O-N 3.12Å
418	K	27.3	Very low	24.3	Very low	184 Å²	184	136.5 Å²	136.5	80%	0.8	76%	0.756	S	S	*	*			trans	-36.2	127.4	158.4	-58	163.4	-179.9	174.8	0	110.1	S416	S416-K418 PolarHBondContact O-N 3.08Å
419	F	26.2	Very low	24.3	Very low	202 Å²	202	133.7 Å²	133.7	89%	0.886	75%	0.75	S	S	*	*			trans	161.1	119.8	135.1	-85.1	-61.3	0	0	0	108.7	S417	S417-F419 PolarHBondContact O-N 3.12Å
420	A	24.7	Very low	24.5	Very low	108 Å²	108	130 Å²	130	89%	0.893	74%	0.738	S	S	*	*			trans	-105	90.8	-175.7	0	0	0	0	0	110
421	S	25.7	Very low	24.6	Very low	101 Å²	101	125.6 Å²	125.6	71%	0.706	73%	0.726	S	S	*	*			trans	-175.4	74.9	170.5	56.2	0	0	0	0	112.9
422	D	25.7	Very low	24.8	Very low	156 Å²	156	126.3 Å²	126.3	83%	0.834	74%	0.738	S	S	*	*			trans	-174.1	102.7	141.7	-111.6	-29.6	0	0	0	111.6	G424	D422-G424 PolarHBondContact O-N 3.07Å
423	P	23.5	Very low	25.1	Very low	133 Å²	133	121 Å²	121	86%	0.864	72%	0.723	S	S	*	*			trans	-89.6	73.4	174.3	35.3	-31.4	0	0	0	110.2
424	G	22.4	Very low	25.2	Very low	55 Å²	55	125.5 Å²	125.5	57%	0.567	73%	0.728	S	S	*	*			trans	-162.5	124.5	-177.9	0	0	0	0	0	115.2	D422	D422-G424 PolarHBondContact O-N 3.07Å
425	V	23.5	Very low	25.4	Very low	141 Å²	141	125.9 Å²	125.9	86%	0.855	73%	0.731	S	S	*	*			trans	63.9	97.3	165.1	-166.4	0	0	0	0	116
426	V	25.3	Very low	25.4	Very low	127 Å²	127	126.6 Å²	126.6	77%	0.77	74%	0.738	S	S	*	*			trans	-86.4	108.5	162	178.6	0	0	0	0	109.1	L428	V426-L428 PolarHBondContact O-N 3.49Å
427	D	25	Very low	25.4	Very low	75 Å²	75	124.8 Å²	124.8	40%	0.401	73%	0.731	S	S	.	*			trans	-77.3	107.4	174.8	178.4	16.8	0	0	0	111.4	N429 N430	D427-N429 PolarHBondContact O-N 3.01Å; D427-N429 WeakPolarHBondContact OD1-CB 3.34Å; D427-N429 PolarHBondContact OD1-N 3.24Å; D427-N429 PolarHBondContact OD1-ND2 2.87Å; D427-N430 PolarHBondContact O-N 2.95Å; D427-N430 PolarHBondContact OD2-ND2 3.16Å
428	L	25.3	Very low	25.5	Very low	141 Å²	141	123.6 Å²	123.6	74%	0.738	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-62.5	-18.2	179.2	-74.7	165.8	0	0	0	113.6	V426 N430 F431	V426-L428 PolarHBondContact O-N 3.49Å; L428-N430 PolarHBondContact O-N 3.4Å; L428-F431 PolarHBondContact O-N 2.97Å
429	N	25.9	Very low	25.4	Very low	124 Å²	124	119.1 Å²	119.1	66%	0.663	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-68.2	-24	179.3	-62.6	-66.7	0	0	0	112.8	D427 F431	D427-N429 PolarHBondContact O-N 3.01Å; D427-N429 WeakPolarHBondContact OD1-CB 3.34Å; D427-N429 PolarHBondContact OD1-N 3.24Å; D427-N429 PolarHBondContact OD1-ND2 2.87Å; N429-F431 VanDerWaalsContact C-N 3.3Å; N429-F431 PolarHBondContact O-N 3.03Å
430	N	28.7	Very low	25.3	Very low	102 Å²	102	116.8 Å²	116.8	55%	0.545	71%	0.706	S	S	.	*	G	3₁₀ helix	trans	-80.9	-4.5	179.1	-80.6	-61.4	0	0	0	114.4	D427 L428 T433	D427-N430 PolarHBondContact O-N 2.95Å; D427-N430 PolarHBondContact OD2-ND2 3.16Å; L428-N430 PolarHBondContact O-N 3.4Å; N430-T433 PolarHBondContact O-OG1 3.1Å
431	F	25.2	Very low	25.4	Very low	148 Å²	148	119.8 Å²	119.8	65%	0.649	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-83.7	-18.6	176.1	-117.6	-86.7	0	0	0	113.4	L428 N429	L428-F431 PolarHBondContact O-N 2.97Å; N429-F431 VanDerWaalsContact C-N 3.3Å; N429-F431 PolarHBondContact O-N 3.03Å
432	A	26.2	Very low	25.4	Very low	94 Å²	94	118.1 Å²	118.1	78%	0.777	71%	0.706	S	S	*	*	S	Bend	trans	-86.4	-4.6	-177.9	0	0	0	0	0	114.4
433	T	27.9	Very low	25.4	Very low	97 Å²	97	116.7 Å²	116.7	60%	0.595	70%	0.703	S	S	*	*	S	Bend	trans	-118.3	2.8	-162.2	51.9	0	0	0	0	115.7	N430	N430-T433 PolarHBondContact O-OG1 3.1Å
434	K	25.8	Very low	25.5	Very low	172 Å²	172	115.2 Å²	115.2	75%	0.748	70%	0.696	S	S	*	*	S	Bend	trans	-126.1	-7.9	-170	-84.2	-172.5	175.6	177.4	0	119.4	S436	K434-S436 PolarHBondContact O-N 3.29Å
435	D	27	Very low	25.7	Very low	166 Å²	166	117.6 Å²	117.6	89%	0.888	69%	0.693	S	S	*	*			trans	-97.7	63.8	168.5	-87.6	-37.4	0	0	0	111.4	A437	D435-A437 PolarHBondContact O-N 2.97Å
436	S	24	Very low	26	Very low	112 Å²	112	115.1 Å²	115.1	78%	0.783	68%	0.68	S	S	*	*			trans	-71	70.4	157.2	57.8	0	0	0	0	109.3	K434 A438	K434-S436 PolarHBondContact O-N 3.29Å; S436-A438 PolarHBondContact O-N 3.09Å
437	A	24.7	Very low	26.3	Very low	86 Å²	86	115.9 Å²	115.9	71%	0.711	69%	0.685	S	S	*	*			trans	-64.6	102	164.7	0	0	0	0	0	107.1	D435 V439	D435-A437 PolarHBondContact O-N 2.97Å; A437-V439 PolarHBondContact O-N 2.77Å
438	A	25.4	Very low	26.6	Very low	72 Å²	72	119.3 Å²	119.3	60%	0.595	70%	0.704	S	S	*	*			trans	-52	113.3	-173.9	0	0	0	0	0	110.7	S436 H440	S436-A438 PolarHBondContact O-N 3.09Å; A438-H440 VanDerWaalsContact C-N 3.28Å; A438-H440 PolarHBondContact O-N 3.33Å
439	V	25.5	Very low	27	Very low	89 Å²	89	114.1 Å²	114.1	54%	0.539	68%	0.679	S	S	.	*			trans	-62.7	100.9	157.6	177.2	0	0	0	0	104.6	A437 D441	A437-V439 PolarHBondContact O-N 2.77Å; V439-D441 PolarHBondContact O-N 2.84Å
440	H	24.7	Very low	27.6	Very low	154 Å²	154	113 Å²	113	71%	0.713	67%	0.673	S	S	*	*			trans	-64.7	111.8	179.3	-85.2	-73.6	0	0	0	108.8	A438 G442	A438-H440 VanDerWaalsContact C-N 3.28Å; A438-H440 PolarHBondContact O-N 3.33Å; H440-G442 PolarHBondContact O-N 3.17Å
441	D	25.5	Very low	28.5	Very low	170 Å²	170	111 Å²	111	91%	0.909	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	21	175.9	-66.6	-50.4	0	0	0	114.6	V439	V439-D441 PolarHBondContact O-N 2.84Å
442	G	25.8	Very low	29.7	Very low	66 Å²	66	106.5 Å²	106.5	68%	0.68	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	-3.4	-175	0	0	0	0	0	115.3	H440 S444	H440-G442 PolarHBondContact O-N 3.17Å; G442-S444 PolarHBondContact O-N 3.37Å
443	V	25.5	Very low	31.3	Very low	126 Å²	126	106.6 Å²	106.6	76%	0.764	63%	0.631	S	S	*	*			trans	-80	92.9	176.2	-173	0	0	0	0	109.1	M445	V443-M445 PolarHBondContact O-N 2.98Å
444	S	26	Very low	32.9	Very low	103 Å²	103	102.2 Å²	102.2	72%	0.72	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-51	133.3	166.8	38	0	0	0	0	110.2	G442	G442-S444 PolarHBondContact O-N 3.37Å
445	M	27.6	Very low	34.8	Very low	105 Å²	105	96.1 Å²	96.1	52%	0.517	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-52.4	128.8	175.7	-80.2	-81.4	-178.8	0	0	109.8	V443 T447 L591	V443-M445 PolarHBondContact O-N 2.98Å; M445-T447 PolarHBondContact O-N 3.03Å; M445-L591 HydrophobicContact CE-CD2 3.93Å; M445-L591 HydrophobicContact SD-CD2 4.22Å
446	P	28.5	Very low	36.6	Very low	88 Å²	88	88.6 Å²	88.6	57%	0.571	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-60.2	126.9	170.8	25.7	-32.2	0	0	0	108	N448 S449	P446-N448 PolarHBondContact O-N 3.4Å; P446-S449 PolarHBondContact O-N 3.13Å; P446-S449 PolarHBondContact O-OG 3.05Å
447	T	31.3	Very low	38.4	Very low	144 Å²	144	88.3 Å²	88.3	88%	0.883	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.9	-169.6	9	0	0	0	0	114.4	M445	M445-T447 PolarHBondContact O-N 3.03Å
448	N	32.1	Very low	39.9	Very low	147 Å²	147	90.4 Å²	90.4	79%	0.786	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	26.2	-178.7	-64.1	-2.8	0	0	0	113.2	P446 N450	P446-N448 PolarHBondContact O-N 3.4Å; N448-N450 PolarHBondContact O-N 3.14Å
449	S	34.4	Very low	41.3	Very low	31 Å²	31	87.3 Å²	87.3	22%	0.217	49%	0.489	C	S	.	.			trans	-70.7	119.3	165.1	44.9	0	0	0	0	109.3	P446 L451	P446-S449 PolarHBondContact O-N 3.13Å; P446-S449 PolarHBondContact O-OG 3.05Å; S449-L451 PolarHBondContact O-N 3Å
450	N	38.9	Very low	42.7	Very low	101 Å²	101	91.6 Å²	91.6	54%	0.54	50%	0.503	S	S	.	.			trans	-71.3	64.5	-175.3	-82.8	-17.8	0	0	0	113.1	N448 T452 H592	N448-N450 PolarHBondContact O-N 3.14Å; N450-T452 PolarHBondContact O-N 3.32Å; N450-H592 PolarHBondContact O-CD2 2.75Å; N450-H592 PolarHBondContact O-NE2 3.17Å
451	L	46.1	Very low	44.3	Very low	59 Å²	59	87.6 Å²	87.6	31%	0.309	49%	0.487	S	S	.	.			trans	-56.7	104	-178.9	-65	170.1	0	0	0	110.9	S449 E453 K589	S449-L451 PolarHBondContact O-N 3Å; L451-E453 PolarHBondContact O-N 3.25Å; L451-K589 HydrophobicContact CD1-CD 4.06Å; L451-K589 HydrophobicContact CD2-CB 4.07Å; L451-K589 HydrophobicContact CD2-CD 4.24Å; L451-K589 HydrophobicContact CD2-CG 4.19Å
452	T	51.9	Low	45.8	Very low	55 Å²	55	86.6 Å²	86.6	34%	0.337	48%	0.476	S	S	.	.			trans	-78.9	111.8	169.9	-57	0	0	0	0	108.4	N450 H454 P502	N450-T452 PolarHBondContact O-N 3.32Å; T452-H454 WeakPolarHBondContact CG2-NE2 3.26Å; T452-P502 HydrophobicContact CG2-CG 4.45Å
453	E	57.9	Low	47.8	Very low	95 Å²	95	85.9 Å²	85.9	44%	0.444	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	115.6	175.1	-66	-168.4	155.1	0	0	110.4	L451 L587 I588	L451-E453 PolarHBondContact O-N 3.25Å; E453-L587 HydrophobicContact CB-CD2 3.97Å; E453-L587 HydrophobicContact CG-CD2 4.32Å; E453-I588 WeakPolarHBondContact CA-O 3.19Å
454	H	62.3	Low	49.7	Very low	5 Å²	5	86.3 Å²	86.3	2%	0.023	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	142	169.2	-54.6	-100	0	0	0	109.9	T452 W500 P502 S503 L504 L587 I588	T452-H454 WeakPolarHBondContact CG2-NE2 3.26Å; H454-W500 HydrophobicContact CB-CE3 4.28Å; H454-P502 PolarHBondContact ND1-O 3.06Å; H454-S503 PolarHBondContact CE1-O 2.89Å; H454-S503 PolarHBondContact ND1-O 3.49Å; H454-L504 HydrophobicContact CB-CD2 3.94Å; H454-L587 WeakPolarHBondContact O-CA 3.4Å; H454-I588 HydrophobicContact CB-CB 4.16Å; H454-I588 PolarHBondContact N-O 3.31Å; H454-I588 PolarHBondContact O-N 3.16Å; H454-I588 VanDerWaalsContact O-N 3.16Å
455	V	66.2	Low	51.8	Low	45 Å²	45	86.9 Å²	86.9	27%	0.273	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.3	-179.3	171.3	0	0	0	0	109.6	K457 H501 L587	V455-K457 PolarHBondContact O-N 3.32Å; V455-K457 VanDerWaalsContact O-N 3.16Å; V455-H501 PolarHBondContact N-O 3.26Å; V455-H501 PolarHBondContact O-N 2.76Å; V455-L587 HydrophobicContact CG2-CD2 3.73Å
456	V	65.6	Low	53.8	Low	7 Å²	7	83.4 Å²	83.4	4%	0.042	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	111.1	164.4	-178.1	0	0	0	0	108.3	L469 L485 T498 W500 A586	V456-L469 HydrophobicContact CB-CD1 4.05Å; V456-L469 HydrophobicContact CG1-CD1 4.13Å; V456-L469 HydrophobicContact CG1-CD2 4.21Å; V456-L469 HydrophobicContact CG1-CG 4.46Å; V456-L469 HydrophobicContact CG2-CD1 4.2Å; V456-L485 HydrophobicContact CG2-CD2 4.28Å; V456-T498 HydrophobicContact CG1-CG2 4.29Å; V456-T498 HydrophobicContact CG2-CG2 4.49Å; V456-W500 HydrophobicContact CG2-CD2 4.07Å; V456-W500 HydrophobicContact CG2-CE3 3.73Å; V456-W500 HydrophobicContact CG2-CH2 3.49Å; V456-W500 VanDerWaalsContact CG2-CH2 3.49Å; V456-W500 HydrophobicContact CG2-CZ2 3.82Å; V456-W500 HydrophobicContact CG2-CZ3 3.44Å; V456-W500 VanDerWaalsContact CG2-CZ3 3.44Å; V456-A586 HydrophobicContact CG2-CB 4.18Å
457	K	60.2	Low	55.9	Low	107 Å²	107	80.2 Å²	80.2	47%	0.465	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-72.9	140.3	167.2	-87.8	-179	173.2	170.4	0	108.2	V455 F499 H501	V455-K457 PolarHBondContact O-N 3.32Å; V455-K457 VanDerWaalsContact O-N 3.16Å; K457-F499 PolarHBondContact N-O 3.04Å; K457-H501 HydrophobicContact CB-CB 4.44Å; K457-H501 HydrophobicContact CD-CB 3.61Å; K457-H501 WeakPolarHBondContact CE-CD2 3.5Å; K457-H501 HydrophobicContact CG-CB 3.8Å; K457-H501 PolarHBondContact NZ-CD2 2.87Å; K457-H501 PolarHBondContact NZ-CE1 3.3Å; K457-H501 VanDerWaalsContact NZ-CE1 3.35Å; K457-H501 PolarHBondContact NZ-NE2 3.38Å
458	R	57.4	Low	57.8	Low	129 Å²	129	75 Å²	75	49%	0.487	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-53.2	134.9	162.8	-75	-167.7	-175.9	-173.4	5.6	107.6	R464	R458-R464 PolarHBondContact NH1-O 2.93Å
459	P	54.1	Low	59.8	Low	8 Å²	8	68.2 Å²	68.2	5%	0.052	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-61.7	155.5	-176.1	30.5	-38.4	0	0	0	109.9	I461 W467 L487	P459-I461 HydrophobicContact CB-CB 4.01Å; P459-I461 HydrophobicContact CB-CD1 3.79Å; P459-I461 HydrophobicContact CB-CG1 3.85Å; P459-I461 HydrophobicContact CG-CB 4.09Å; P459-I461 HydrophobicContact CG-CD1 4.22Å; P459-I461 HydrophobicContact CG-CG1 4.39Å; P459-I461 PolarHBondContact O-N 3.11Å; P459-I461 VanDerWaalsContact O-N 3.12Å; P459-W467 HydrophobicContact CG-CB 4.42Å; P459-W467 HydrophobicContact CG-CG 4.25Å; P459-L487 HydrophobicContact CB-CD1 4.22Å; P459-L487 HydrophobicContact CG-CD1 3.9Å
460	E	55.3	Low	61.8	Low	178 Å²	178	67.3 Å²	67.3	83%	0.832	33%	0.325	S	S	*	.	S	Bend	trans	-69.1	-2.8	169.8	-63.5	-175.5	165.8	0	0	112.3	E462	E460-E462 PolarHBondContact O-N 3.23Å
461	I	57.6	Low	63.9	Low	71 Å²	71	63 Å²	63	36%	0.364	30%	0.302	S	S	.	.			trans	-64.9	115.1	173.4	-54.3	165	0	0	0	109.7	P459 W467 A496	P459-I461 HydrophobicContact CB-CB 4.01Å; P459-I461 HydrophobicContact CB-CD1 3.79Å; P459-I461 HydrophobicContact CB-CG1 3.85Å; P459-I461 HydrophobicContact CG-CB 4.09Å; P459-I461 HydrophobicContact CG-CD1 4.22Å; P459-I461 HydrophobicContact CG-CG1 4.39Å; P459-I461 PolarHBondContact O-N 3.11Å; P459-I461 VanDerWaalsContact O-N 3.12Å; I461-W467 HydrophobicContact CD1-CZ2 4.47Å; I461-W467 HydrophobicContact CG2-CZ2 3.7Å; I461-A496 HydrophobicContact CD1-CB 4.29Å
462	E	56.5	Low	65.4	Low	149 Å²	149	60.7 Å²	60.7	70%	0.696	29%	0.291	S	S	*	.	S	Bend	trans	-80.4	148.7	165.9	-61.9	-153.5	155.4	0	0	111	E460	E460-E462 PolarHBondContact O-N 3.23Å
463	P	69.5	Low	66.6	Low	51 Å²	51	63 Å²	63	33%	0.331	30%	0.298	S	S	.	.			cis	-83.3	124.5	-0.4	-17	36.3	0	0	0	112.6	D465 Q466 W467	P463-D465 VanDerWaalsContact C-OD1 3.31Å; P463-D465 WeakPolarHBondContact CB-OD1 3.45Å; P463-D465 PolarHBondContact O-N 3.39Å; P463-D465 VanDerWaalsContact O-N 3.1Å; P463-Q466 HydrophobicContact CB-CG 4.22Å; P463-Q466 PolarHBondContact O-N 2.86Å; P463-Q466 VanDerWaalsContact O-N 3.07Å; P463-W467 VanDerWaalsContact O-CD1 3.26Å
464	R	64.4	Low	67.4	Low	135 Å²	135	60.7 Å²	60.7	51%	0.509	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.1	-171.5	-62.6	179.9	-177.7	179.4	-1	115	R458	R458-R464 PolarHBondContact NH1-O 2.93Å
465	D	69.5	Low	67.8	Low	114 Å²	114	64.2 Å²	64.2	61%	0.61	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-18.9	176.4	58.7	-48.2	0	0	0	112.8	P463	P463-D465 VanDerWaalsContact C-OD1 3.31Å; P463-D465 WeakPolarHBondContact CB-OD1 3.45Å; P463-D465 PolarHBondContact O-N 3.39Å; P463-D465 VanDerWaalsContact O-N 3.1Å
466	Q	71.3	Confident	67.5	Low	33 Å²	33	69.3 Å²	69.3	15%	0.154	33%	0.332	C	S	.	.	S	Bend	trans	-95	-11.5	-174.4	-68.1	166.4	25	0	0	114.1	P463 N489 Q490 K491	P463-Q466 HydrophobicContact CB-CG 4.22Å; P463-Q466 PolarHBondContact O-N 2.86Å; P463-Q466 VanDerWaalsContact O-N 3.07Å; Q466-N489 WeakPolarHBondContact O-CA 3.09Å; Q466-Q490 PolarHBondContact O-N 2.92Å; Q466-K491 HydrophobicContact CG-CB 4.3Å
467	W	71.4	Confident	67.2	Low	20 Å²	20	76.9 Å²	76.9	8%	0.076	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125	-176.9	-65.6	96	0	0	0	112.5	P459 I461 P463 L487 F488 N489 D494 A496	P459-W467 HydrophobicContact CG-CB 4.42Å; P459-W467 HydrophobicContact CG-CG 4.25Å; I461-W467 HydrophobicContact CD1-CZ2 4.47Å; I461-W467 HydrophobicContact CG2-CZ2 3.7Å; P463-W467 VanDerWaalsContact O-CD1 3.26Å; W467-L487 HydrophobicContact CE3-CB 3.97Å; W467-L487 HydrophobicContact CZ3-CB 4.48Å; W467-F488 WeakPolarHBondContact CA-O 3.08Å; W467-N489 HydrophobicContact CD2-CB 3.94Å; W467-N489 HydrophobicContact CE3-CB 3.83Å; W467-N489 HydrophobicContact CH2-CB 3.8Å; W467-N489 HydrophobicContact CZ2-CB 3.89Å; W467-N489 HydrophobicContact CZ3-CB 3.76Å; W467-D494 HydrophobicContact CH2-CB 4.02Å; W467-A496 HydrophobicContact CE3-CB 4.29Å; W467-A496 HydrophobicContact CH2-CB 3.87Å; W467-A496 HydrophobicContact CZ3-CB 3.55Å
468	V	71.7	Confident	67.2	Low	35 Å²	35	74.5 Å²	74.5	21%	0.212	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	152	176.1	-63.9	0	0	0	0	112	L487 F488 Q490	V468-L487 CarbonylContact O-C 3.41Å; V468-L487 WeakPolarHBondContact O-CA 3.44Å; V468-F488 HydrophobicContact CG2-CB 4.29Å; V468-F488 HydrophobicContact CG2-CD1 4.23Å; V468-F488 PolarHBondContact N-O 2.84Å; V468-F488 PolarHBondContact O-N 3.4Å; V468-Q490 HydrophobicContact CG1-CG 4.33Å; V468-Q490 HydrophobicContact CG2-CG 3.98Å
469	L	73.9	Confident	67.4	Low	4 Å²	4	75 Å²	75	2%	0.021	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	136.7	172.2	-88.3	172.9	0	0	0	110.6	V456 L485 A486 L487 T498 P518 T584	V456-L469 HydrophobicContact CB-CD1 4.05Å; V456-L469 HydrophobicContact CG1-CD1 4.13Å; V456-L469 HydrophobicContact CG1-CD2 4.21Å; V456-L469 HydrophobicContact CG1-CG 4.46Å; V456-L469 HydrophobicContact CG2-CD1 4.2Å; L469-L485 HydrophobicContact CD2-CD1 4.11Å; L469-L485 HydrophobicContact CD2-CD2 4.02Å; L469-L485 HydrophobicContact CD2-CG 3.79Å; L469-A486 WeakPolarHBondContact CA-O 3.22Å; L469-A486 WeakPolarHBondContact CD2-O 3.42Å; L469-L487 HydrophobicContact CD2-CD2 3.92Å; L469-L487 HydrophobicContact CD2-CG 4.39Å; L469-L487 HydrophobicContact CG-CD2 4Å; L469-T498 HydrophobicContact CD2-CG2 3.49Å; L469-T498 VanDerWaalsContact CD2-CG2 3.49Å; L469-P518 HydrophobicContact CB-CG 4.46Å; L469-T584 HydrophobicContact CB-CG2 3.87Å; L469-T584 HydrophobicContact CD1-CG2 3.78Å; L469-T584 WeakPolarHBondContact CD1-O 3.49Å; L469-T584 HydrophobicContact CG-CG2 4.1Å
470	F	76.1	Confident	68.3	Low	13 Å²	13	75.1 Å²	75.1	6%	0.057	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	167.9	176.8	83.1	-67.3	0	0	0	111.9	A472 A486 F488 T495 P574	F470-A472 HydrophobicContact CE1-CB 4.44Å; F470-A472 VanDerWaalsContact CE2-CA 3.43Å; F470-A472 HydrophobicContact CE2-CB 3.83Å; F470-A472 HydrophobicContact CZ-CB 3.69Å; F470-A486 HydrophobicContact CD1-CB 4.05Å; F470-A486 VanDerWaalsContact CD1-O 3.28Å; F470-A486 WeakPolarHBondContact CD1-O 3.3Å; F470-A486 HydrophobicContact CE1-CB 3.45Å; F470-A486 VanDerWaalsContact CE1-CB 3.45Å; F470-A486 HydrophobicContact CZ-CB 4.01Å; F470-A486 PolarHBondContact N-O 3.48Å; F470-A486 PolarHBondContact O-N 3.09Å; F470-F488 HydrophobicContact CD1-CB 3.47Å; F470-F488 VanDerWaalsContact CD1-CB 3.47Å; F470-F488 HydrophobicContact CE1-CB 3.59Å; F470-F488 HydrophobicContact CG-CB 4.12Å; F470-F488 HydrophobicContact CZ-CB 4.29Å; F470-T495 HydrophobicContact CE1-CG2 4.05Å; F470-T495 HydrophobicContact CZ-CG2 3.64Å; F470-P574 HydrophobicContact CB-CB 4.16Å; F470-P574 HydrophobicContact CD2-CB 3.58Å; F470-P574 HydrophobicContact CD2-CG 4.05Å; F470-P574 HydrophobicContact CE2-CB 4.16Å; F470-P574 HydrophobicContact CE2-CG 4.11Å; F470-P574 HydrophobicContact CG-CB 4.01Å
471	W	82.2	Confident	69.1	Low	11 Å²	11	68.7 Å²	68.7	4%	0.042	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	107.4	169.3	-64.7	107.4	0	0	0	110.3	L485 L514 A517 P518 L520 V530 V546 P548	W471-L485 HydrophobicContact CD2-CD1 4.29Å; W471-L485 HydrophobicContact CE3-CB 4.23Å; W471-L485 HydrophobicContact CE3-CD1 4.25Å; W471-L485 HydrophobicContact CH2-CB 4.29Å; W471-L485 HydrophobicContact CH2-CD1 4.11Å; W471-L485 HydrophobicContact CZ2-CD1 4.15Å; W471-L485 HydrophobicContact CZ3-CB 3.8Å; W471-L485 HydrophobicContact CZ3-CD1 4.16Å; W471-L514 HydrophobicContact CH2-CD1 3.89Å; W471-L514 HydrophobicContact CZ2-CD1 4.21Å; W471-A517 HydrophobicContact CZ2-CB 4.22Å; W471-P518 PolarHBondContact NE1-O 3.1Å; W471-L520 HydrophobicContact CB-CD1 4.24Å; W471-L520 HydrophobicContact CD2-CD1 4.1Å; W471-L520 HydrophobicContact CG-CB 4.21Å; W471-L520 HydrophobicContact CG-CD1 3.89Å; W471-L520 HydrophobicContact CG-CG 4.25Å; W471-V530 HydrophobicContact CH2-CG1 4.15Å; W471-V530 HydrophobicContact CZ2-CB 3.76Å; W471-V530 HydrophobicContact CZ2-CG1 3.82Å; W471-V530 HydrophobicContact CZ2-CG2 3.79Å; W471-V546 WeakPolarHBondContact CZ3-O 3.39Å; W471-P548 HydrophobicContact CD2-CB 4.45Å; W471-P548 HydrophobicContact CD2-CG 4.32Å; W471-P548 HydrophobicContact CE3-CB 4.1Å; W471-P548 HydrophobicContact CE3-CG 3.78Å; W471-P548 HydrophobicContact CH2-CB 3.76Å; W471-P548 HydrophobicContact CH2-CG 4.31Å; W471-P548 HydrophobicContact CZ2-CB 4.11Å; W471-P548 HydrophobicContact CZ3-CB 3.75Å; W471-P548 HydrophobicContact CZ3-CG 3.78Å
472	A	78	Confident	70.2	Confident	10 Å²	10	66.8 Å²	66.8	8%	0.083	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	138.5	174.3	0	0	0	0	0	111.3	F470 S483 H484 A486	F470-A472 HydrophobicContact CE1-CB 4.44Å; F470-A472 VanDerWaalsContact CE2-CA 3.43Å; F470-A472 HydrophobicContact CE2-CB 3.83Å; F470-A472 HydrophobicContact CZ-CB 3.69Å; A472-S483 VanDerWaalsContact O-CA 3.23Å; A472-S483 WeakPolarHBondContact O-CA 3.49Å; A472-H484 VanDerWaalsContact CB-CE1 3.46Å; A472-H484 WeakPolarHBondContact CB-CE1 3.46Å; A472-H484 PolarHBondContact N-O 3.3Å; A472-H484 PolarHBondContact O-N 2.88Å; A472-A486 HydrophobicContact CB-CB 3.79Å
473	E	78.1	Confident	71.3	Confident	103 Å²	103	59.7 Å²	59.7	48%	0.481	30%	0.296	S	S	.	.			trans	-67.2	156.1	178.8	66.4	-177.3	-176.1	0	0	112.7	H475	E473-H475 PolarHBondContact O-N 2.82Å
474	P	74.1	Confident	72	Confident	46 Å²	46	58.3 Å²	58.3	30%	0.299	29%	0.285	S	S	.	.			trans	-57.8	109.1	171.5	-24.1	33.7	0	0	0	112.5	K480 L569	P474-K480 CarbonylContact C-O 3.47Å; P474-K480 WeakPolarHBondContact CA-O 3.46Å; P474-L569 HydrophobicContact CG-CD2 3.98Å
475	H	69.8	Low	72.7	Confident	80 Å²	80	51.9 Å²	51.9	37%	0.37	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-105.6	106.7	-177.2	-166.4	-101.4	0	0	0	111.6	E473 H477 T478 K479 K480	E473-H475 PolarHBondContact O-N 2.82Å; H475-H477 VanDerWaalsContact C-N 3.29Å; H475-H477 AromaticContact CE1-CD2 3.83Å; H475-H477 AromaticContact NE2-CD2 3.99Å; H475-H477 PolarHBondContact O-N 2.82Å; H475-T478 WeakPolarHBondContact CB-OG1 3.38Å; H475-T478 PolarHBondContact O-N 2.77Å; H475-T478 PolarHBondContact O-OG1 2.96Å; H475-K479 PolarHBondContact O-N 3.11Å; H475-K480 PolarHBondContact N-O 2.66Å
476	L	60.2	Low	73.1	Confident	151 Å²	151	46.7 Å²	46.7	79%	0.791	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-57.2	-37.9	-174.1	-73	166.7	0	0	0	113.1	K479	L476-K479 PolarHBondContact O-N 3.18Å
477	H	59.3	Low	73.3	Confident	166 Å²	166	45.4 Å²	45.4	77%	0.769	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-71.2	-31.2	-177.6	-58.4	-73.8	0	0	0	113.7	H475 K479	H475-H477 VanDerWaalsContact C-N 3.29Å; H475-H477 AromaticContact CE1-CD2 3.83Å; H475-H477 AromaticContact NE2-CD2 3.99Å; H475-H477 PolarHBondContact O-N 2.82Å; H477-K479 PolarHBondContact O-N 3.01Å
478	T	59.8	Low	73.4	Confident	57 Å²	57	46.5 Å²	46.5	35%	0.35	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-83.9	-2.1	175.8	52.3	0	0	0	0	112.3	H475 K480	H475-T478 WeakPolarHBondContact CB-OG1 3.38Å; H475-T478 PolarHBondContact O-N 2.77Å; H475-T478 PolarHBondContact O-OG1 2.96Å; T478-K480 PolarHBondContact O-N 2.94Å
479	K	63.2	Low	73.7	Confident	141 Å²	141	45.1 Å²	45.1	61%	0.613	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	30.3	-175.9	-51.7	176.6	-178	173.7	0	112.8	H475 L476 H477 P481	H475-K479 PolarHBondContact O-N 3.11Å; L476-K479 PolarHBondContact O-N 3.18Å; H477-K479 PolarHBondContact O-N 3.01Å; K479-P481 VanDerWaalsContact O-CD 3.3Å; K479-P481 WeakPolarHBondContact O-CD 3.34Å
480	K	71.8	Confident	73.6	Confident	10 Å²	10	49 Å²	49	4%	0.043	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-102.9	90.8	168.2	-65.4	-168.9	-177.9	-168.9	0	109	P474 H475 T478 Y482 H484 E497 D545	P474-K480 CarbonylContact C-O 3.47Å; P474-K480 WeakPolarHBondContact CA-O 3.46Å; H475-K480 PolarHBondContact N-O 2.66Å; T478-K480 PolarHBondContact O-N 2.94Å; K480-Y482 HydrophobicContact CB-CE2 4.2Å; K480-Y482 HydrophobicContact CG-CE2 4.5Å; K480-Y482 PolarHBondContact O-N 2.94Å; K480-H484 VanDerWaalsContact CD-CE1 3.5Å; K480-H484 WeakPolarHBondContact CD-CE1 3.25Å; K480-H484 WeakPolarHBondContact CD-NE2 3.49Å; K480-H484 PolarHBondContact NZ-CD2 3.04Å; K480-H484 PolarHBondContact NZ-NE2 2.87Å; K480-E497 WeakPolarHBondContact CE-OE1 3.44Å; K480-E497 IonicContact NZ-OE1 3.02Å; K480-E497 PolarHBondContact NZ-OE1 3.05Å; K480-D545 VanDerWaalsContact CD-OD2 3.25Å; K480-D545 WeakPolarHBondContact CD-OD2 3.12Å; K480-D545 WeakPolarHBondContact CE-OD1 3.38Å; K480-D545 WeakPolarHBondContact CE-OD2 3.25Å; K480-D545 IonicContact NZ-OD1 3.5Å; K480-D545 PolarHBondContact NZ-OD1 3.09Å; K480-D545 IonicContact NZ-OD2 3.94Å; K480-D545 PolarHBondContact NZ-OD2 3.15Å
481	P	73.6	Confident	73.6	Confident	43 Å²	43	56.3 Å²	56.3	28%	0.279	27%	0.274	S	S	.	.			trans	-88.8	16.9	-170.9	39.3	-40.3	0	0	0	113.7	K479 K564	K479-P481 VanDerWaalsContact O-CD 3.3Å; K479-P481 WeakPolarHBondContact O-CD 3.34Å; P481-K564 HydrophobicContact CB-CD 3.89Å; P481-K564 HydrophobicContact CG-CD 3.82Å; P481-K564 WeakPolarHBondContact O-CD 3.16Å
482	Y	79.1	Confident	73.4	Confident	31 Å²	31	58.9 Å²	58.9	12%	0.122	29%	0.294	C	S	.	.	S	Bend	trans	-133.6	160.6	-177.2	38.6	-117.9	0	0	0	108.6	K480 H484 V536 D545 V547 F558	K480-Y482 HydrophobicContact CB-CE2 4.2Å; K480-Y482 HydrophobicContact CG-CE2 4.5Å; K480-Y482 PolarHBondContact O-N 2.94Å; Y482-H484 HydrophobicContact CD2-CB 4.42Å; Y482-V536 HydrophobicContact CE1-CG2 4.28Å; Y482-V536 HydrophobicContact CE2-CG2 4.34Å; Y482-V536 WeakPolarHBondContact OH-CG2 3.27Å; Y482-D545 HydrophobicContact CE2-CB 4.09Å; Y482-V547 HydrophobicContact CD1-CG2 4.21Å; Y482-V547 HydrophobicContact CD2-CG2 3.71Å; Y482-V547 HydrophobicContact CE1-CG2 4.4Å; Y482-V547 HydrophobicContact CE2-CG2 3.96Å; Y482-V547 HydrophobicContact CG-CG1 4.22Å; Y482-V547 HydrophobicContact CG-CG2 3.88Å; Y482-F558 HydrophobicContact CD1-CZ 4.37Å
483	S	81.1	Confident	73.2	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.311	C	S	.	.			trans	-64.6	146.2	166.9	-41.7	0	0	0	0	109.5	A472 P548 L568 L569 S570	A472-S483 VanDerWaalsContact O-CA 3.23Å; A472-S483 WeakPolarHBondContact O-CA 3.49Å; S483-P548 VanDerWaalsContact O-CD 3.25Å; S483-P548 WeakPolarHBondContact O-CD 3.42Å; S483-L568 WeakPolarHBondContact CB-O 3.25Å; S483-L568 PolarHBondContact OG-O 3.5Å; S483-L569 WeakPolarHBondContact OG-CA 3.29Å; S483-S570 PolarHBondContact OG-N 3.01Å
484	H	82.4	Confident	73	Confident	21 Å²	21	59.9 Å²	59.9	10%	0.097	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.4	175	62.9	-67.1	0	0	0	111.8	A472 K480 Y482 A486 D545 V546	A472-H484 VanDerWaalsContact CB-CE1 3.46Å; A472-H484 WeakPolarHBondContact CB-CE1 3.46Å; A472-H484 PolarHBondContact N-O 3.3Å; A472-H484 PolarHBondContact O-N 2.88Å; K480-H484 VanDerWaalsContact CD-CE1 3.5Å; K480-H484 WeakPolarHBondContact CD-CE1 3.25Å; K480-H484 WeakPolarHBondContact CD-NE2 3.49Å; K480-H484 PolarHBondContact NZ-CD2 3.04Å; K480-H484 PolarHBondContact NZ-NE2 2.87Å; Y482-H484 HydrophobicContact CD2-CB 4.42Å; H484-A486 PolarHBondContact O-N 3.28Å; H484-D545 HydrophobicContact CB-CB 4.12Å; H484-D545 IonicContact CD2-OD1 3.38Å; H484-D545 PolarHBondContact CD2-OD1 2.85Å; H484-D545 VanDerWaalsContact CD2-OD1 3.3Å; H484-D545 IonicContact CG-OD1 2.81Å; H484-V546 WeakPolarHBondContact CA-O 3.15Å
485	L	79.8	Confident	72.9	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	123.2	177.8	-165.7	70.9	0	0	0	110.3	V456 L469 W471 T498 W500 P518 V546 A586	V456-L485 HydrophobicContact CG2-CD2 4.28Å; L469-L485 HydrophobicContact CD2-CD1 4.11Å; L469-L485 HydrophobicContact CD2-CD2 4.02Å; L469-L485 HydrophobicContact CD2-CG 3.79Å; W471-L485 HydrophobicContact CD2-CD1 4.29Å; W471-L485 HydrophobicContact CE3-CB 4.23Å; W471-L485 HydrophobicContact CE3-CD1 4.25Å; W471-L485 HydrophobicContact CH2-CB 4.29Å; W471-L485 HydrophobicContact CH2-CD1 4.11Å; W471-L485 HydrophobicContact CZ2-CD1 4.15Å; W471-L485 HydrophobicContact CZ3-CB 3.8Å; W471-L485 HydrophobicContact CZ3-CD1 4.16Å; L485-T498 HydrophobicContact CD2-CG2 4.43Å; L485-T498 HydrophobicContact CG-CG2 4.2Å; L485-T498 WeakPolarHBondContact O-CG2 3.3Å; L485-T498 PolarHBondContact O-OG1 2.75Å; L485-W500 HydrophobicContact CD2-CH2 3.75Å; L485-W500 HydrophobicContact CD2-CZ2 3.88Å; L485-P518 HydrophobicContact CD1-CG 3.69Å; L485-V546 HydrophobicContact CB-CB 4.17Å; L485-V546 PolarHBondContact N-O 3.5Å; L485-V546 VanDerWaalsContact N-O 3.17Å; L485-A586 HydrophobicContact CD2-CB 4.09Å
486	A	77.6	Confident	72.9	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.033	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	168.5	-175.5	0	0	0	0	0	111.5	L469 F470 A472 H484	L469-A486 WeakPolarHBondContact CA-O 3.22Å; L469-A486 WeakPolarHBondContact CD2-O 3.42Å; F470-A486 HydrophobicContact CD1-CB 4.05Å; F470-A486 VanDerWaalsContact CD1-O 3.28Å; F470-A486 WeakPolarHBondContact CD1-O 3.3Å; F470-A486 HydrophobicContact CE1-CB 3.45Å; F470-A486 VanDerWaalsContact CE1-CB 3.45Å; F470-A486 HydrophobicContact CZ-CB 4.01Å; F470-A486 PolarHBondContact N-O 3.48Å; F470-A486 PolarHBondContact O-N 3.09Å; A472-A486 HydrophobicContact CB-CB 3.79Å; H484-A486 PolarHBondContact O-N 3.28Å
487	L	76.8	Confident	73.3	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.7	173.3	-68.4	163.5	0	0	0	109.8	P459 W467 V468 L469 T495 A496 T498	P459-L487 HydrophobicContact CB-CD1 4.22Å; P459-L487 HydrophobicContact CG-CD1 3.9Å; W467-L487 HydrophobicContact CE3-CB 3.97Å; W467-L487 HydrophobicContact CZ3-CB 4.48Å; V468-L487 CarbonylContact O-C 3.41Å; V468-L487 WeakPolarHBondContact O-CA 3.44Å; L469-L487 HydrophobicContact CD2-CD2 3.92Å; L469-L487 HydrophobicContact CD2-CG 4.39Å; L469-L487 HydrophobicContact CG-CD2 4Å; L487-T495 CarbonylContact O-C 3.5Å; L487-T495 VanDerWaalsContact O-CA 3.29Å; L487-T495 WeakPolarHBondContact O-CA 3.43Å; L487-A496 HydrophobicContact CB-CB 4.23Å; L487-A496 PolarHBondContact N-O 3.01Å; L487-A496 PolarHBondContact O-N 3.21Å; L487-T498 HydrophobicContact CG-CG2 4.23Å
488	F	73.6	Confident	73.7	Confident	42 Å²	42	47 Å²	47	18%	0.184	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.9	178.3	175.9	-114.3	0	0	0	110.5	W467 V468 F470 Q490 D494 T495 P574	W467-F488 WeakPolarHBondContact CA-O 3.08Å; V468-F488 HydrophobicContact CG2-CB 4.29Å; V468-F488 HydrophobicContact CG2-CD1 4.23Å; V468-F488 PolarHBondContact N-O 2.84Å; V468-F488 PolarHBondContact O-N 3.4Å; F470-F488 HydrophobicContact CD1-CB 3.47Å; F470-F488 VanDerWaalsContact CD1-CB 3.47Å; F470-F488 HydrophobicContact CE1-CB 3.59Å; F470-F488 HydrophobicContact CG-CB 4.12Å; F470-F488 HydrophobicContact CZ-CB 4.29Å; F488-Q490 HydrophobicContact CD1-CG 4.3Å; F488-Q490 HydrophobicContact CE1-CG 4.43Å; F488-D494 WeakPolarHBondContact CA-O 3.02Å; F488-D494 WeakPolarHBondContact CD2-O 3.13Å; F488-T495 HydrophobicContact CD2-CG2 4.08Å; F488-P574 HydrophobicContact CD1-CB 4.18Å; F488-P574 HydrophobicContact CD1-CG 4.04Å; F488-P574 HydrophobicContact CD2-CG 4.03Å; F488-P574 HydrophobicContact CE1-CB 4.43Å; F488-P574 HydrophobicContact CE1-CG 4Å; F488-P574 HydrophobicContact CE2-CG 3.99Å; F488-P574 HydrophobicContact CG-CB 4.38Å; F488-P574 HydrophobicContact CG-CG 4.05Å; F488-P574 HydrophobicContact CZ-CG 3.98Å
489	N	78.2	Confident	73.9	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.037	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	111.8	170.8	-173.2	-48.3	0	0	0	109.4	Q466 W467 K491 S492 G493 D494	Q466-N489 WeakPolarHBondContact O-CA 3.09Å; W467-N489 HydrophobicContact CD2-CB 3.94Å; W467-N489 HydrophobicContact CE3-CB 3.83Å; W467-N489 HydrophobicContact CH2-CB 3.8Å; W467-N489 HydrophobicContact CZ2-CB 3.89Å; W467-N489 HydrophobicContact CZ3-CB 3.76Å; N489-K491 PolarHBondContact O-N 3.44Å; N489-K491 WeakPolarHBondContact OD1-CA 3.27Å; N489-K491 WeakPolarHBondContact OD1-CB 3.17Å; N489-K491 PolarHBondContact OD1-N 3.08Å; N489-S492 WeakPolarHBondContact CB-OG 3.45Å; N489-S492 PolarHBondContact OD1-N 3.5Å; N489-S492 PolarHBondContact OD1-OG 3.33Å; N489-G493 VanDerWaalsContact O-CA 3.31Å; N489-G493 WeakPolarHBondContact O-CA 3.41Å; N489-G493 PolarHBondContact O-N 3.01Å; N489-D494 HydrophobicContact CB-CB 4.24Å; N489-D494 PolarHBondContact N-O 2.95Å
490	Q	71.4	Confident	74.2	Confident	86 Å²	86	43.5 Å²	43.5	40%	0.402	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.4	-176.7	-61.3	-176	-29.4	0	0	114.1	Q466 V468 F488 E576	Q466-Q490 PolarHBondContact O-N 2.92Å; V468-Q490 HydrophobicContact CG1-CG 4.33Å; V468-Q490 HydrophobicContact CG2-CG 3.98Å; F488-Q490 HydrophobicContact CD1-CG 4.3Å; F488-Q490 HydrophobicContact CE1-CG 4.43Å; Q490-E576 PolarHBondContact NE2-OE1 3.12Å
491	K	74.7	Confident	73.7	Confident	165 Å²	165	47.7 Å²	47.7	72%	0.717	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-40.2	-172.2	-170.6	-179	-178.3	-179	0	112.9	Q466 N489	Q466-K491 HydrophobicContact CG-CB 4.3Å; N489-K491 PolarHBondContact O-N 3.44Å; N489-K491 WeakPolarHBondContact OD1-CA 3.27Å; N489-K491 WeakPolarHBondContact OD1-CB 3.17Å; N489-K491 PolarHBondContact OD1-N 3.08Å
492	S	78.4	Confident	73.3	Confident	65 Å²	65	48.6 Å²	48.6	46%	0.455	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-22.6	177.1	59.7	0	0	0	0	113.4	N489 D494	N489-S492 WeakPolarHBondContact CB-OG 3.45Å; N489-S492 PolarHBondContact OD1-N 3.5Å; N489-S492 PolarHBondContact OD1-OG 3.33Å; S492-D494 VanDerWaalsContact C-N 3.28Å; S492-D494 WeakPolarHBondContact CB-OD2 3.31Å; S492-D494 WeakPolarHBondContact OG-CB 3.37Å; S492-D494 PolarHBondContact OG-N 3.32Å; S492-D494 PolarHBondContact OG-OD2 3.3Å
493	G	73.4	Confident	72.6	Confident	43 Å²	43	51.7 Å²	51.7	44%	0.443	29%	0.286	S	S	.	.			trans	81.3	5.3	-170.6	0	0	0	0	0	113.8	N489	N489-G493 VanDerWaalsContact O-CA 3.31Å; N489-G493 WeakPolarHBondContact O-CA 3.41Å; N489-G493 PolarHBondContact O-N 3.01Å
494	D	74.2	Confident	71.8	Confident	91 Å²	91	52 Å²	52	49%	0.487	29%	0.288	S	S	.	.			trans	-70	152.3	-179.7	-62.8	-44.5	0	0	0	112.2	W467 F488 N489 S492	W467-D494 HydrophobicContact CH2-CB 4.02Å; F488-D494 WeakPolarHBondContact CA-O 3.02Å; F488-D494 WeakPolarHBondContact CD2-O 3.13Å; N489-D494 HydrophobicContact CB-CB 4.24Å; N489-D494 PolarHBondContact N-O 2.95Å; S492-D494 VanDerWaalsContact C-N 3.28Å; S492-D494 WeakPolarHBondContact CB-OD2 3.31Å; S492-D494 WeakPolarHBondContact OG-CB 3.37Å; S492-D494 PolarHBondContact OG-N 3.32Å; S492-D494 PolarHBondContact OG-OD2 3.3Å
495	T	71.9	Confident	70.7	Confident	98 Å²	98	52.7 Å²	52.7	60%	0.601	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.9	170.8	55	0	0	0	0	110.8	F470 L487 F488	F470-T495 HydrophobicContact CE1-CG2 4.05Å; F470-T495 HydrophobicContact CZ-CG2 3.64Å; L487-T495 CarbonylContact O-C 3.5Å; L487-T495 VanDerWaalsContact O-CA 3.29Å; L487-T495 WeakPolarHBondContact O-CA 3.43Å; F488-T495 HydrophobicContact CD2-CG2 4.08Å
496	A	69.5	Low	69.5	Low	23 Å²	23	58.7 Å²	58.7	19%	0.19	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.6	177.5	0	0	0	0	0	110.5	I461 W467 L487	I461-A496 HydrophobicContact CD1-CB 4.29Å; W467-A496 HydrophobicContact CE3-CB 4.29Å; W467-A496 HydrophobicContact CH2-CB 3.87Å; W467-A496 HydrophobicContact CZ3-CB 3.55Å; L487-A496 HydrophobicContact CB-CB 4.23Å; L487-A496 PolarHBondContact N-O 3.01Å; L487-A496 PolarHBondContact O-N 3.21Å
497	E	69.4	Low	68.5	Low	47 Å²	47	63.4 Å²	63.4	22%	0.22	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	149.3	178	-57.8	-159.3	132.8	0	0	111.4	K480 F499 Y540 H543	K480-E497 WeakPolarHBondContact CE-OE1 3.44Å; K480-E497 IonicContact NZ-OE1 3.02Å; K480-E497 PolarHBondContact NZ-OE1 3.05Å; E497-F499 WeakPolarHBondContact O-CD2 3.47Å; E497-Y540 WeakPolarHBondContact OE1-CD2 3.32Å; E497-H543 WeakPolarHBondContact OE2-CB 3.45Å; E497-H543 IonicContact OE2-CD2 3.11Å; E497-H543 IonicContact OE2-CE1 3.78Å; E497-H543 IonicContact OE2-CG 2.82Å; E497-H543 IonicContact OE2-ND1 2.7Å; E497-H543 PolarHBondContact OE2-ND1 3.25Å; E497-H543 IonicContact OE2-NE2 3.98Å
498	T	68.5	Low	67.8	Low	4 Å²	4	64 Å²	64	3%	0.025	36%	0.36	C	S	.	.			trans	-74.9	135.2	178	47.1	0	0	0	0	112.2	V456 L469 L485 L487 W500	V456-T498 HydrophobicContact CG1-CG2 4.29Å; V456-T498 HydrophobicContact CG2-CG2 4.49Å; L469-T498 HydrophobicContact CD2-CG2 3.49Å; L469-T498 VanDerWaalsContact CD2-CG2 3.49Å; L485-T498 HydrophobicContact CD2-CG2 4.43Å; L485-T498 HydrophobicContact CG-CG2 4.2Å; L485-T498 WeakPolarHBondContact O-CG2 3.3Å; L485-T498 PolarHBondContact O-OG1 2.75Å; L487-T498 HydrophobicContact CG-CG2 4.23Å; T498-W500 PolarHBondContact OG1-NE1 3.36Å
499	F	63.7	Low	67.4	Low	107 Å²	107	65.1 Å²	65.1	47%	0.469	37%	0.372	S	S	.	.			trans	-106.3	126.3	171.5	-67.9	-91.3	0	0	0	110.6	K457 E497 H543	K457-F499 PolarHBondContact N-O 3.04Å; E497-F499 WeakPolarHBondContact O-CD2 3.47Å; F499-H543 AromaticContact CE1-CE1 3.35Å; F499-H543 WeakPolarHBondContact CE1-CE1 3.2Å; F499-H543 AromaticContact CE1-NE2 3.91Å; F499-H543 AromaticContact CZ-CE1 3.44Å; F499-H543 VanDerWaalsContact CZ-CE1 3.44Å; F499-H543 WeakPolarHBondContact CZ-CE1 3.04Å
500	W	68.6	Low	66.6	Low	19 Å²	19	66.1 Å²	66.1	7%	0.072	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140.5	-175.9	-60.8	90.1	0	0	0	111.6	H454 V456 L485 T498 P502 S503 L504 V546 A586 I588	H454-W500 HydrophobicContact CB-CE3 4.28Å; V456-W500 HydrophobicContact CG2-CD2 4.07Å; V456-W500 HydrophobicContact CG2-CE3 3.73Å; V456-W500 HydrophobicContact CG2-CH2 3.49Å; V456-W500 VanDerWaalsContact CG2-CH2 3.49Å; V456-W500 HydrophobicContact CG2-CZ2 3.82Å; V456-W500 HydrophobicContact CG2-CZ3 3.44Å; V456-W500 VanDerWaalsContact CG2-CZ3 3.44Å; L485-W500 HydrophobicContact CD2-CH2 3.75Å; L485-W500 HydrophobicContact CD2-CZ2 3.88Å; T498-W500 PolarHBondContact OG1-NE1 3.36Å; W500-P502 CarbonylContact C-O 3.58Å; W500-P502 CarbonylContact O-C 3.54Å; W500-S503 WeakPolarHBondContact O-CA 3.48Å; W500-S503 PolarHBondContact O-N 2.62Å; W500-L504 HydrophobicContact CB-CD1 4.26Å; W500-L504 HydrophobicContact CB-CG 3.85Å; W500-L504 VanDerWaalsContact CD1-CD1 3.48Å; W500-L504 HydrophobicContact CD2-CD1 3.65Å; W500-L504 HydrophobicContact CD2-CG 4.03Å; W500-L504 HydrophobicContact CE3-CD1 4.37Å; W500-L504 HydrophobicContact CG-CD1 3.53Å; W500-L504 HydrophobicContact CG-CG 3.67Å; W500-V546 HydrophobicContact CH2-CG2 3.91Å; W500-V546 HydrophobicContact CZ2-CB 4.21Å; W500-V546 HydrophobicContact CZ2-CG2 3.32Å; W500-A586 HydrophobicContact CH2-CB 3.98Å; W500-A586 HydrophobicContact CZ3-CB 4.06Å; W500-I588 HydrophobicContact CD2-CD1 4.43Å; W500-I588 HydrophobicContact CE3-CD1 3.85Å; W500-I588 HydrophobicContact CH2-CD1 3.67Å; W500-I588 HydrophobicContact CH2-CG1 4.38Å; W500-I588 HydrophobicContact CZ2-CD1 4.28Å; W500-I588 HydrophobicContact CZ3-CD1 3.42Å; W500-I588 VanDerWaalsContact CZ3-CD1 3.42Å; W500-I588 HydrophobicContact CZ3-CG1 3.98Å
501	H	61.6	Low	66.4	Low	98 Å²	98	63.6 Å²	63.6	45%	0.454	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	123	176.9	-167.3	81.6	0	0	0	112.3	V455 K457	V455-H501 PolarHBondContact N-O 3.26Å; V455-H501 PolarHBondContact O-N 2.76Å; K457-H501 HydrophobicContact CB-CB 4.44Å; K457-H501 HydrophobicContact CD-CB 3.61Å; K457-H501 WeakPolarHBondContact CE-CD2 3.5Å; K457-H501 HydrophobicContact CG-CB 3.8Å; K457-H501 PolarHBondContact NZ-CD2 2.87Å; K457-H501 PolarHBondContact NZ-CE1 3.3Å; K457-H501 VanDerWaalsContact NZ-CE1 3.35Å; K457-H501 PolarHBondContact NZ-NE2 3.38Å
502	P	64.3	Low	66.2	Low	62 Å²	62	55.8 Å²	55.8	40%	0.403	33%	0.332	S	S	.	.	S	Bend	cis	-53.9	156.3	-13.5	25.7	-34.7	0	0	0	111.2	T452 H454 W500	T452-P502 HydrophobicContact CG2-CG 4.45Å; H454-P502 PolarHBondContact ND1-O 3.06Å; W500-P502 CarbonylContact C-O 3.58Å; W500-P502 CarbonylContact O-C 3.54Å
503	S	64.5	Low	65.9	Low	96 Å²	96	54.3 Å²	54.3	67%	0.671	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-55.6	143.2	179.6	-57.1	0	0	0	0	110.6	H454 W500	H454-S503 PolarHBondContact CE1-O 2.89Å; H454-S503 PolarHBondContact ND1-O 3.49Å; W500-S503 WeakPolarHBondContact O-CA 3.48Å; W500-S503 PolarHBondContact O-N 2.62Å
504	L	66	Low	65.9	Low	7 Å²	7	52.6 Å²	52.6	4%	0.037	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-63.1	142.1	175.8	-72	171.3	0	0	0	109.9	H454 W500 Y510 V535 F544 I588	H454-L504 HydrophobicContact CB-CD2 3.94Å; W500-L504 HydrophobicContact CB-CD1 4.26Å; W500-L504 HydrophobicContact CB-CG 3.85Å; W500-L504 VanDerWaalsContact CD1-CD1 3.48Å; W500-L504 HydrophobicContact CD2-CD1 3.65Å; W500-L504 HydrophobicContact CD2-CG 4.03Å; W500-L504 HydrophobicContact CE3-CD1 4.37Å; W500-L504 HydrophobicContact CG-CD1 3.53Å; W500-L504 HydrophobicContact CG-CG 3.67Å; L504-Y510 WeakPolarHBondContact CB-OH 3.48Å; L504-Y510 WeakPolarHBondContact CD2-OH 3.48Å; L504-V535 HydrophobicContact CD1-CG1 3.98Å; L504-V535 HydrophobicContact CD1-CG2 4.25Å; L504-F544 HydrophobicContact CB-CD2 3.78Å; L504-F544 HydrophobicContact CB-CE2 4.28Å; L504-F544 HydrophobicContact CB-CG 4.28Å; L504-F544 HydrophobicContact CD1-CB 3.93Å; L504-F544 HydrophobicContact CD1-CD2 4.49Å; L504-F544 HydrophobicContact CD1-CG 4.41Å; L504-I588 HydrophobicContact CD1-CD1 4.12Å; L504-I588 HydrophobicContact CD2-CD1 3.62Å; L504-I588 HydrophobicContact CD2-CG2 4.27Å; L504-I588 HydrophobicContact CG-CD1 4.49Å
505	P	58.4	Low	65.7	Low	34 Å²	34	52.9 Å²	52.9	22%	0.221	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-50.5	143.7	175.1	-29.9	34.4	0	0	0	112.9	I507 Y510 F544	P505-I507 PolarHBondContact O-N 2.7Å; P505-I507 VanDerWaalsContact O-N 3.12Å; P505-Y510 WeakPolarHBondContact CD-OH 3.46Å; P505-F544 WeakPolarHBondContact O-CZ 3.15Å
506	T	55.2	Low	65.6	Low	128 Å²	128	53.8 Å²	53.8	79%	0.785	29%	0.294	S	S	*	.	S	Bend	trans	-69.9	-7.2	-178.7	48.8	0	0	0	0	114.7	A508	T506-A508 PolarHBondContact O-N 2.99Å
507	I	56.5	Low	65.7	Low	102 Å²	102	53.8 Å²	53.8	52%	0.523	29%	0.294	S	S	.	.	S	Bend	trans	-98.5	82.2	-176.9	-49.9	174.9	0	0	0	108.2	P505 Y510	P505-I507 PolarHBondContact O-N 2.7Å; P505-I507 VanDerWaalsContact O-N 3.12Å; I507-Y510 WeakPolarHBondContact O-CD1 3.34Å; I507-Y510 WeakPolarHBondContact O-CE1 3.4Å
508	A	60.6	Low	65.9	Low	21 Å²	21	52 Å²	52	17%	0.174	29%	0.286	C	S	.	.			trans	-101.2	149.7	170.2	0	0	0	0	0	109.9	T506 Y510 V535 E537 F544	T506-A508 PolarHBondContact O-N 2.99Å; A508-Y510 HydrophobicContact CB-CE1 4.48Å; A508-V535 HydrophobicContact CB-CG1 4.45Å; A508-E537 HydrophobicContact CB-CB 4.47Å; A508-F544 HydrophobicContact CB-CD1 3.85Å; A508-F544 HydrophobicContact CB-CE1 3.72Å
509	P	65.3	Low	66.4	Low	65 Å²	65	56.2 Å²	56.2	42%	0.422	31%	0.305	S	S	.	.			cis	-101.5	154.3	13.5	39.5	-36.2	0	0	0	115.5	V534 V535 V536 L559	P509-V534 HydrophobicContact CB-CG1 4.19Å; P509-V535 WeakPolarHBondContact CA-O 3.32Å; P509-V535 WeakPolarHBondContact CB-O 3.5Å; P509-V536 HydrophobicContact CB-CG1 4.18Å; P509-L559 HydrophobicContact CB-CD2 3.52Å; P509-L559 HydrophobicContact CG-CD2 3.51Å
510	Y	62.7	Low	67	Low	27 Å²	27	51.1 Å²	51.1	11%	0.106	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	155.4	177.5	56.8	-88.6	0	0	0	113.6	L504 P505 I507 A508 V512 V534 V535	L504-Y510 WeakPolarHBondContact CB-OH 3.48Å; L504-Y510 WeakPolarHBondContact CD2-OH 3.48Å; P505-Y510 WeakPolarHBondContact CD-OH 3.46Å; I507-Y510 WeakPolarHBondContact O-CD1 3.34Å; I507-Y510 WeakPolarHBondContact O-CE1 3.4Å; A508-Y510 HydrophobicContact CB-CE1 4.48Å; Y510-V512 HydrophobicContact CD2-CG1 3.62Å; Y510-V512 HydrophobicContact CE2-CG1 3.48Å; Y510-V512 VanDerWaalsContact CE2-CG1 3.48Å; Y510-V534 WeakPolarHBondContact O-CA 3.17Å; Y510-V535 HydrophobicContact CD1-CB 4.28Å; Y510-V535 HydrophobicContact CD2-CB 4.29Å; Y510-V535 HydrophobicContact CD2-CG2 4.18Å; Y510-V535 HydrophobicContact CE1-CB 3.9Å; Y510-V535 HydrophobicContact CE1-CG1 3.9Å; Y510-V535 HydrophobicContact CE1-CG2 4.4Å; Y510-V535 HydrophobicContact CE2-CB 3.92Å; Y510-V535 HydrophobicContact CE2-CG2 3.57Å; Y510-V535 HydrophobicContact CG-CB 4.45Å; Y510-V535 PolarHBondContact N-O 3.1Å; Y510-V535 PolarHBondContact O-N 2.97Å
511	V	66.7	Low	67.3	Low	34 Å²	34	52.4 Å²	52.4	21%	0.206	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	141	177.1	-173.9	0	0	0	0	111.2	W532 A533 A555 L559	V511-W532 HydrophobicContact CG1-CE3 3.75Å; V511-W532 HydrophobicContact CG1-CZ3 4.09Å; V511-A533 WeakPolarHBondContact CA-O 3.1Å; V511-A555 HydrophobicContact CG1-CB 3.9Å; V511-A555 HydrophobicContact CG2-CB 4.14Å; V511-L559 HydrophobicContact CG2-CD1 3.33Å
512	V	70.6	Confident	68	Low	1 Å²	1	49.3 Å²	49.3	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.3	174.5	-61	0	0	0	0	111.3	Y510 L514 A533 V535 I588	Y510-V512 HydrophobicContact CD2-CG1 3.62Å; Y510-V512 HydrophobicContact CE2-CG1 3.48Å; Y510-V512 VanDerWaalsContact CE2-CG1 3.48Å; V512-L514 HydrophobicContact CG2-CD2 3.98Å; V512-L514 HydrophobicContact CG2-CG 4.41Å; V512-A533 HydrophobicContact CG2-CB 3.85Å; V512-A533 PolarHBondContact N-O 3.2Å; V512-A533 PolarHBondContact O-N 3.25Å; V512-V535 HydrophobicContact CG1-CG2 3.62Å; V512-V535 HydrophobicContact CG2-CG2 4.15Å; V512-I588 HydrophobicContact CB-CB 4.34Å; V512-I588 HydrophobicContact CB-CG1 4.01Å; V512-I588 HydrophobicContact CB-CG2 3.8Å; V512-I588 HydrophobicContact CG1-CB 4.35Å; V512-I588 HydrophobicContact CG1-CD1 4.37Å; V512-I588 HydrophobicContact CG1-CG1 4.21Å; V512-I588 HydrophobicContact CG1-CG2 3.39Å; V512-I588 HydrophobicContact CG2-CD1 4.31Å; V512-I588 HydrophobicContact CG2-CG1 4.01Å
513	E	72.8	Confident	68.4	Low	34 Å²	34	49.7 Å²	49.7	16%	0.159	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.6	159.5	176.5	-161.8	148.8	0	0	107.2	R515 V531 W532 I588 K589	E513-R515 IonicContact OE1-CZ 3.17Å; E513-R515 IonicContact OE1-NE 2.75Å; E513-R515 PolarHBondContact OE1-NE 3.23Å; E513-R515 IonicContact OE1-NH2 2.72Å; E513-R515 PolarHBondContact OE1-NH2 3.01Å; E513-V531 CarbonylContact C-O 3.53Å; E513-V531 WeakPolarHBondContact CA-O 3.41Å; E513-W532 HydrophobicContact CB-CE3 4.22Å; E513-W532 HydrophobicContact CB-CH2 4.01Å; E513-W532 HydrophobicContact CB-CZ3 3.81Å; E513-I588 WeakPolarHBondContact O-CA 3.49Å; E513-K589 HydrophobicContact CB-CB 4.2Å; E513-K589 PolarHBondContact O-N 2.99Å; E513-K589 VanDerWaalsContact O-N 3.12Å; E513-K589 WeakPolarHBondContact OE2-CD 3.47Å
514	L	73.7	Confident	69	Low	6 Å²	6	50 Å²	50	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	142.7	173.8	-64.7	-177.3	0	0	0	110.5	W471 V512 A517 V530 V531 A533 V546 L587 I588	W471-L514 HydrophobicContact CH2-CD1 3.89Å; W471-L514 HydrophobicContact CZ2-CD1 4.21Å; V512-L514 HydrophobicContact CG2-CD2 3.98Å; V512-L514 HydrophobicContact CG2-CG 4.41Å; L514-A517 HydrophobicContact CB-CB 4.27Å; L514-A517 HydrophobicContact CD1-CB 4.17Å; L514-V530 HydrophobicContact CD1-CG1 4.07Å; L514-V531 PolarHBondContact N-O 2.9Å; L514-A533 HydrophobicContact CD1-CB 3.61Å; L514-A533 HydrophobicContact CD2-CB 4.49Å; L514-A533 HydrophobicContact CG-CB 3.94Å; L514-V546 HydrophobicContact CD1-CG1 4.18Å; L514-V546 HydrophobicContact CD2-CG1 4.24Å; L514-L587 WeakPolarHBondContact CA-O 3.1Å; L514-I588 HydrophobicContact CD2-CD1 4.47Å; L514-I588 HydrophobicContact CD2-CG1 3.73Å
515	R	70.2	Confident	69.2	Low	98 Å²	98	54.6 Å²	54.6	37%	0.37	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.8	168.9	-46.6	178.4	163.3	-145	-19.7	109.6	E513 A517 S585 A586 L587	E513-R515 IonicContact OE1-CZ 3.17Å; E513-R515 IonicContact OE1-NE 2.75Å; E513-R515 PolarHBondContact OE1-NE 3.23Å; E513-R515 IonicContact OE1-NH2 2.72Å; E513-R515 PolarHBondContact OE1-NH2 3.01Å; R515-A517 PolarHBondContact O-N 3.12Å; R515-S585 VanDerWaalsContact O-O 3.09Å; R515-A586 VanDerWaalsContact O-CA 3.31Å; R515-A586 WeakPolarHBondContact O-CA 3.42Å; R515-L587 HydrophobicContact CB-CB 4Å; R515-L587 HydrophobicContact CB-CD1 4.2Å; R515-L587 HydrophobicContact CG-CB 4.15Å; R515-L587 PolarHBondContact N-O 2.99Å; R515-L587 PolarHBondContact O-N 3.35Å
516	N	68.8	Low	70.1	Confident	117 Å²	117	56 Å²	56	63%	0.626	31%	0.305	S	S	*	.	S	Bend	trans	55.8	30.3	-178.7	-46.3	-33	0	0	0	114.1
517	A	72.4	Confident	71.1	Confident	23 Å²	23	52.7 Å²	52.7	19%	0.19	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-67.7	151.9	170.3	0	0	0	0	0	110.6	W471 L514 R515	W471-A517 HydrophobicContact CZ2-CB 4.22Å; L514-A517 HydrophobicContact CB-CB 4.27Å; L514-A517 HydrophobicContact CD1-CB 4.17Å; R515-A517 PolarHBondContact O-N 3.12Å
518	P	73.7	Confident	72.2	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.058	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-59.6	148.3	168.5	25.2	-31.8	0	0	0	110.2	L469 W471 L485 A577	L469-P518 HydrophobicContact CB-CG 4.46Å; W471-P518 PolarHBondContact NE1-O 3.1Å; L485-P518 HydrophobicContact CD1-CG 3.69Å; P518-A577 HydrophobicContact CB-CB 4.12Å
519	Q	78.4	Confident	73.2	Confident	92 Å²	92	53.7 Å²	53.7	43%	0.43	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-64.7	137.9	172	-71.3	-172.8	-34.5	0	0	110.1	D529	Q519-D529 VanDerWaalsContact CG-OD1 3.29Å; Q519-D529 WeakPolarHBondContact CG-OD1 3.18Å; Q519-D529 PolarHBondContact NE2-OD1 2.89Å
520	L	75.7	Confident	73.8	Confident	1 Å²	1	51 Å²	51	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.6	174.5	-174.3	145.5	0	0	0	108.9	W471 L522 V528 V530 P548 L568	W471-L520 HydrophobicContact CB-CD1 4.24Å; W471-L520 HydrophobicContact CD2-CD1 4.1Å; W471-L520 HydrophobicContact CG-CB 4.21Å; W471-L520 HydrophobicContact CG-CD1 3.89Å; W471-L520 HydrophobicContact CG-CG 4.25Å; L520-L522 HydrophobicContact CD2-CD2 3.53Å; L520-L522 HydrophobicContact CD2-CG 3.98Å; L520-V528 PolarHBondContact N-O 2.91Å; L520-V528 PolarHBondContact O-N 2.82Å; L520-V530 HydrophobicContact CB-CG2 3.56Å; L520-V530 HydrophobicContact CD1-CG2 4.36Å; L520-P548 HydrophobicContact CD1-CB 3.89Å; L520-P548 HydrophobicContact CD1-CG 3.5Å; L520-P548 VanDerWaalsContact CD1-CG 3.5Å; L520-L568 HydrophobicContact CD1-CB 3.8Å; L520-L568 HydrophobicContact CD2-CB 3.98Å
521	K	75.5	Confident	74.7	Confident	45 Å²	45	53.2 Å²	53.2	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.5	176.3	-169.7	167.6	-178.9	-170	0	110.8	D525 L572 Q575	K521-D525 WeakPolarHBondContact CE-O 3.44Å; K521-D525 WeakPolarHBondContact CE-OD1 3.26Å; K521-D525 IonicContact NZ-OD1 3.95Å; K521-D525 PolarHBondContact NZ-OD1 3.34Å; K521-L572 HydrophobicContact CD-CD1 3.89Å; K521-L572 HydrophobicContact CG-CD1 4.34Å; K521-Q575 VanDerWaalsContact CD-OE1 3.26Å
522	L	76.5	Confident	75.4	Confident	34 Å²	34	54.3 Å²	54.3	18%	0.178	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-81.3	167.5	-176.5	-76	-178.9	0	0	0	113	L520 D524 D525 T526 V528 L568	L520-L522 HydrophobicContact CD2-CD2 3.53Å; L520-L522 HydrophobicContact CD2-CG 3.98Å; L522-D524 WeakPolarHBondContact CB-OD1 3.5Å; L522-D524 PolarHBondContact O-N 2.73Å; L522-D524 VanDerWaalsContact O-N 3.1Å; L522-D525 PolarHBondContact O-N 3.36Å; L522-T526 WeakPolarHBondContact CB-O 3.43Å; L522-T526 PolarHBondContact N-O 3.01Å; L522-V528 HydrophobicContact CD1-CG2 3.53Å; L522-V528 HydrophobicContact CG-CG2 4.07Å; L522-L568 HydrophobicContact CD2-CD2 4.26Å
523	P	72.4	Confident	76	Confident	70 Å²	70	54.2 Å²	54.2	46%	0.455	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-26	175.6	-32.7	38.8	0	0	0	116.7	Q571	P523-Q571 HydrophobicContact CB-CB 4.34Å; P523-Q571 VanDerWaalsContact CB-CD 3.41Å; P523-Q571 HydrophobicContact CB-CG 4.21Å; P523-Q571 HydrophobicContact CG-CB 4.15Å; P523-Q571 VanDerWaalsContact CG-CD 3.5Å; P523-Q571 HydrophobicContact CG-CG 3.88Å
524	D	77.1	Confident	76.3	Confident	102 Å²	102	52.6 Å²	52.6	55%	0.545	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	17.8	-174.9	65	-23.7	0	0	0	112.9	L522 T526	L522-D524 WeakPolarHBondContact CB-OD1 3.5Å; L522-D524 PolarHBondContact O-N 2.73Å; L522-D524 VanDerWaalsContact O-N 3.1Å; D524-T526 PolarHBondContact O-N 3.5Å; D524-T526 WeakPolarHBondContact OD1-CB 2.92Å; D524-T526 PolarHBondContact OD1-N 2.96Å; D524-T526 VanDerWaalsContact OD1-N 3.16Å; D524-T526 PolarHBondContact OD1-OG1 3.38Å; D524-T526 WeakPolarHBondContact OD2-CB 3.29Å; D524-T526 PolarHBondContact OD2-OG1 3.47Å
525	D	70.3	Confident	76.5	Confident	104 Å²	104	52.3 Å²	52.3	56%	0.556	29%	0.285	S	S	*	.	S	Bend	trans	64	1.4	-170	-79.6	-43.4	0	0	0	115.5	K521 L522 L572	K521-D525 WeakPolarHBondContact CE-O 3.44Å; K521-D525 WeakPolarHBondContact CE-OD1 3.26Å; K521-D525 IonicContact NZ-OD1 3.95Å; K521-D525 PolarHBondContact NZ-OD1 3.34Å; L522-D525 PolarHBondContact O-N 3.36Å; D525-L572 VanDerWaalsContact OD1-CD1 3.29Å; D525-L572 WeakPolarHBondContact OD1-CD1 3.27Å
526	T	76.9	Confident	76.8	Confident	64 Å²	64	48.5 Å²	48.5	39%	0.393	27%	0.272	S	S	.	.			trans	-68.8	131.1	179.3	-59.5	0	0	0	0	111.5	L522 D524 V528	L522-T526 WeakPolarHBondContact CB-O 3.43Å; L522-T526 PolarHBondContact N-O 3.01Å; D524-T526 PolarHBondContact O-N 3.5Å; D524-T526 WeakPolarHBondContact OD1-CB 2.92Å; D524-T526 PolarHBondContact OD1-N 2.96Å; D524-T526 VanDerWaalsContact OD1-N 3.16Å; D524-T526 PolarHBondContact OD1-OG1 3.38Å; D524-T526 WeakPolarHBondContact OD2-CB 3.29Å; D524-T526 PolarHBondContact OD2-OG1 3.47Å; T526-V528 HydrophobicContact CG2-CG2 4.07Å
527	A	77.2	Confident	76.8	Confident	58 Å²	58	49.2 Å²	49.2	48%	0.479	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.3	172.3	0	0	0	0	0	110.5
528	V	79.4	Confident	76.4	Confident	33 Å²	33	48.7 Å²	48.7	20%	0.2	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.8	-177	-178.4	0	0	0	0	110.9	L520 L522 T526 V530	L520-V528 PolarHBondContact N-O 2.91Å; L520-V528 PolarHBondContact O-N 2.82Å; L522-V528 HydrophobicContact CD1-CG2 3.53Å; L522-V528 HydrophobicContact CG-CG2 4.07Å; T526-V528 HydrophobicContact CG2-CG2 4.07Å; V528-V530 PolarHBondContact O-N 3.15Å
529	D	80.6	Confident	75.4	Confident	111 Å²	111	55.8 Å²	55.8	59%	0.594	30%	0.296	S	S	*	.			trans	-76.1	112.8	171.4	-67.1	-34.5	0	0	0	109.8	Q519 V531	Q519-D529 VanDerWaalsContact CG-OD1 3.29Å; Q519-D529 WeakPolarHBondContact CG-OD1 3.18Å; Q519-D529 PolarHBondContact NE2-OD1 2.89Å; D529-V531 PolarHBondContact O-N 3.01Å
530	V	78.6	Confident	74.1	Confident	8 Å²	8	57.3 Å²	57.3	5%	0.048	30%	0.299	C	S	.	.			trans	-81.1	100.5	-179.9	-174.5	0	0	0	0	110.2	W471 L514 L520 V528 W532 P548 L568	W471-V530 HydrophobicContact CH2-CG1 4.15Å; W471-V530 HydrophobicContact CZ2-CB 3.76Å; W471-V530 HydrophobicContact CZ2-CG1 3.82Å; W471-V530 HydrophobicContact CZ2-CG2 3.79Å; L514-V530 HydrophobicContact CD1-CG1 4.07Å; L520-V530 HydrophobicContact CB-CG2 3.56Å; L520-V530 HydrophobicContact CD1-CG2 4.36Å; V528-V530 PolarHBondContact O-N 3.15Å; V530-W532 WeakPolarHBondContact CG1-O 3.46Å; V530-P548 HydrophobicContact CB-CB 4.46Å; V530-P548 HydrophobicContact CG1-CB 3.56Å; V530-P548 HydrophobicContact CG2-CB 4.04Å; V530-L568 HydrophobicContact CG2-CD1 4.14Å
531	V	81.1	Confident	72.4	Confident	73 Å²	73	64.6 Å²	64.6	44%	0.442	34%	0.338	S	S	.	.			trans	-88.6	-28.1	178.1	-175.9	0	0	0	0	112.6	E513 L514 D529	E513-V531 CarbonylContact C-O 3.53Å; E513-V531 WeakPolarHBondContact CA-O 3.41Å; L514-V531 PolarHBondContact N-O 2.9Å; D529-V531 PolarHBondContact O-N 3.01Å
532	W	81.3	Confident	71.1	Confident	57 Å²	57	73.8 Å²	73.8	22%	0.216	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.5	-176.8	-66.6	98.4	0	0	0	111.7	V511 E513 V530 C549 R552	V511-W532 HydrophobicContact CG1-CE3 3.75Å; V511-W532 HydrophobicContact CG1-CZ3 4.09Å; E513-W532 HydrophobicContact CB-CE3 4.22Å; E513-W532 HydrophobicContact CB-CH2 4.01Å; E513-W532 HydrophobicContact CB-CZ3 3.81Å; V530-W532 WeakPolarHBondContact CG1-O 3.46Å; W532-C549 PolarHBondContact O-N 3.3Å; W532-R552 HydrophobicContact CD2-CB 3.91Å; W532-R552 HydrophobicContact CD2-CG 4.44Å; W532-R552 HydrophobicContact CE3-CB 4.29Å; W532-R552 HydrophobicContact CE3-CG 4.33Å; W532-R552 HydrophobicContact CG-CB 4.28Å; W532-R552 HydrophobicContact CH2-CG 4.43Å; W532-R552 HydrophobicContact CZ2-CB 4.23Å; W532-R552 HydrophobicContact CZ3-CG 4.32Å
533	A	83.1	Confident	70.4	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	169.9	175.7	0	0	0	0	0	111.6	V511 V512 L514 V546 V547	V511-A533 WeakPolarHBondContact CA-O 3.1Å; V512-A533 HydrophobicContact CG2-CB 3.85Å; V512-A533 PolarHBondContact N-O 3.2Å; V512-A533 PolarHBondContact O-N 3.25Å; L514-A533 HydrophobicContact CD1-CB 3.61Å; L514-A533 HydrophobicContact CD2-CB 4.49Å; L514-A533 HydrophobicContact CG-CB 3.94Å; A533-V546 HydrophobicContact CB-CG1 3.54Å; A533-V547 CarbonylContact C-O 3.54Å; A533-V547 WeakPolarHBondContact CA-O 3.33Å; A533-V547 WeakPolarHBondContact CB-O 3.36Å
534	V	80	Confident	70.1	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.5	171.5	178.2	0	0	0	0	109	P509 Y510 V536 V547 A555 F558 L559	P509-V534 HydrophobicContact CB-CG1 4.19Å; Y510-V534 WeakPolarHBondContact O-CA 3.17Å; V534-V536 HydrophobicContact CG1-CG1 3.81Å; V534-V547 PolarHBondContact N-O 3.45Å; V534-V547 PolarHBondContact O-N 3.44Å; V534-A555 HydrophobicContact CG2-CB 3.7Å; V534-F558 HydrophobicContact CB-CD1 3.84Å; V534-F558 HydrophobicContact CB-CE1 4.05Å; V534-F558 HydrophobicContact CG1-CD1 4.19Å; V534-F558 HydrophobicContact CG1-CE1 4.2Å; V534-F558 HydrophobicContact CG2-CD1 3.81Å; V534-L559 HydrophobicContact CG1-CD1 4.43Å; V534-L559 HydrophobicContact CG1-CD2 3.53Å; V534-L559 HydrophobicContact CG1-CG 3.86Å; V534-L559 HydrophobicContact CG2-CD1 4.31Å; V534-L559 HydrophobicContact CG2-CG 4.06Å
535	V	78	Confident	70.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.7	168.3	-178.8	0	0	0	0	107.6	L504 A508 P509 Y510 V512 F544 V546 I588	L504-V535 HydrophobicContact CD1-CG1 3.98Å; L504-V535 HydrophobicContact CD1-CG2 4.25Å; A508-V535 HydrophobicContact CB-CG1 4.45Å; P509-V535 WeakPolarHBondContact CA-O 3.32Å; P509-V535 WeakPolarHBondContact CB-O 3.5Å; Y510-V535 HydrophobicContact CD1-CB 4.28Å; Y510-V535 HydrophobicContact CD2-CB 4.29Å; Y510-V535 HydrophobicContact CD2-CG2 4.18Å; Y510-V535 HydrophobicContact CE1-CB 3.9Å; Y510-V535 HydrophobicContact CE1-CG1 3.9Å; Y510-V535 HydrophobicContact CE1-CG2 4.4Å; Y510-V535 HydrophobicContact CE2-CB 3.92Å; Y510-V535 HydrophobicContact CE2-CG2 3.57Å; Y510-V535 HydrophobicContact CG-CB 4.45Å; Y510-V535 PolarHBondContact N-O 3.1Å; Y510-V535 PolarHBondContact O-N 2.97Å; V512-V535 HydrophobicContact CG1-CG2 3.62Å; V512-V535 HydrophobicContact CG2-CG2 4.15Å; V535-F544 HydrophobicContact CG1-CB 3.77Å; V535-F544 HydrophobicContact CG1-CD1 3.94Å; V535-F544 HydrophobicContact CG1-CG 4.03Å; V535-V546 HydrophobicContact CG2-CG2 4.24Å; V535-I588 HydrophobicContact CG2-CD1 4.23Å
536	V	75.2	Confident	70.6	Confident	17 Å²	17	62.4 Å²	62.4	10%	0.103	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.8	176.2	-55.6	0	0	0	0	111	Y482 P509 V534 S538 F544 D545 V547 F558	Y482-V536 HydrophobicContact CE1-CG2 4.28Å; Y482-V536 HydrophobicContact CE2-CG2 4.34Å; Y482-V536 WeakPolarHBondContact OH-CG2 3.27Å; P509-V536 HydrophobicContact CB-CG1 4.18Å; V534-V536 HydrophobicContact CG1-CG1 3.81Å; V536-S538 PolarHBondContact O-N 3.23Å; V536-F544 WeakPolarHBondContact O-CA 3.37Å; V536-D545 HydrophobicContact CG2-CB 3.76Å; V536-D545 PolarHBondContact N-O 2.91Å; V536-D545 PolarHBondContact O-N 3.45Å; V536-V547 HydrophobicContact CG1-CG2 4.16Å; V536-V547 HydrophobicContact CG2-CG2 3.75Å; V536-F558 HydrophobicContact CG1-CE1 4.1Å; V536-F558 HydrophobicContact CG1-CZ 4.47Å
537	E	69.2	Low	71.1	Confident	133 Å²	133	59.3 Å²	59.3	62%	0.621	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	121.9	176.8	-171.4	-179.9	-150	0	0	110.6	A508	A508-E537 HydrophobicContact CB-CB 4.47Å
538	S	63.6	Low	71.6	Confident	11 Å²	11	56.6 Å²	56.6	8%	0.077	26%	0.263	C	S	.	.			trans	-77.3	155.6	169.4	-176.1	0	0	0	0	110	V536 Y540 H543	V536-S538 PolarHBondContact O-N 3.23Å; S538-Y540 PolarHBondContact O-N 3.03Å; S538-Y540 PolarHBondContact OG-N 2.94Å; S538-H543 WeakPolarHBondContact CB-O 3.21Å; S538-H543 PolarHBondContact N-O 2.92Å
539	K	52.7	Low	71.9	Confident	158 Å²	158	55 Å²	55	69%	0.687	25%	0.254	S	S	*	.	S	Bend	trans	-78.1	2.4	173.2	-72.2	174.4	-175.2	136.5	0	113.7
540	Y	51	Low	71.9	Confident	125 Å²	125	55.1 Å²	55.1	49%	0.49	25%	0.254	S	S	.	.	S	Bend	trans	-101.9	125.5	175	-65.6	-73.1	0	0	0	109.6	E497 S538 R542 H543	E497-Y540 WeakPolarHBondContact OE1-CD2 3.32Å; S538-Y540 PolarHBondContact O-N 3.03Å; S538-Y540 PolarHBondContact OG-N 2.94Å; Y540-R542 PolarHBondContact O-N 3.4Å; Y540-R542 VanDerWaalsContact O-N 3.11Å; Y540-H543 PolarHBondContact O-N 2.98Å; Y540-H543 VanDerWaalsContact O-N 3.08Å
541	D	40.8	Very low	72.1	Confident	154 Å²	154	56.4 Å²	56.4	82%	0.824	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	119.1	180	-66.6	-34	0	0	0	110.2
542	R	48	Very low	71.8	Confident	238 Å²	238	58.5 Å²	58.5	90%	0.898	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	11.8	179	-47.2	170.9	-178.7	-168.3	-1.6	117.5	Y540	Y540-R542 PolarHBondContact O-N 3.4Å; Y540-R542 VanDerWaalsContact O-N 3.11Å
543	H	62.3	Low	71.5	Confident	37 Å²	37	60.1 Å²	60.1	17%	0.171	27%	0.273	C	S	.	.			trans	-112.5	149.1	176.7	-67.3	-92	0	0	0	113.2	E497 F499 S538 Y540	E497-H543 WeakPolarHBondContact OE2-CB 3.45Å; E497-H543 IonicContact OE2-CD2 3.11Å; E497-H543 IonicContact OE2-CE1 3.78Å; E497-H543 IonicContact OE2-CG 2.82Å; E497-H543 IonicContact OE2-ND1 2.7Å; E497-H543 PolarHBondContact OE2-ND1 3.25Å; E497-H543 IonicContact OE2-NE2 3.98Å; F499-H543 AromaticContact CE1-CE1 3.35Å; F499-H543 WeakPolarHBondContact CE1-CE1 3.2Å; F499-H543 AromaticContact CE1-NE2 3.91Å; F499-H543 AromaticContact CZ-CE1 3.44Å; F499-H543 VanDerWaalsContact CZ-CE1 3.44Å; F499-H543 WeakPolarHBondContact CZ-CE1 3.04Å; S538-H543 WeakPolarHBondContact CB-O 3.21Å; S538-H543 PolarHBondContact N-O 2.92Å; Y540-H543 PolarHBondContact O-N 2.98Å; Y540-H543 VanDerWaalsContact O-N 3.08Å
544	F	65.3	Low	71.2	Confident	28 Å²	28	60.8 Å²	60.8	12%	0.123	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.2	174.1	-67	-78.7	0	0	0	109.5	L504 P505 A508 V535 V536	L504-F544 HydrophobicContact CB-CD2 3.78Å; L504-F544 HydrophobicContact CB-CE2 4.28Å; L504-F544 HydrophobicContact CB-CG 4.28Å; L504-F544 HydrophobicContact CD1-CB 3.93Å; L504-F544 HydrophobicContact CD1-CD2 4.49Å; L504-F544 HydrophobicContact CD1-CG 4.41Å; P505-F544 WeakPolarHBondContact O-CZ 3.15Å; A508-F544 HydrophobicContact CB-CD1 3.85Å; A508-F544 HydrophobicContact CB-CE1 3.72Å; V535-F544 HydrophobicContact CG1-CB 3.77Å; V535-F544 HydrophobicContact CG1-CD1 3.94Å; V535-F544 HydrophobicContact CG1-CG 4.03Å; V536-F544 WeakPolarHBondContact O-CA 3.37Å
545	D	77.7	Confident	70.8	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.027	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.4	172.2	-76.6	-33.2	0	0	0	108.9	K480 Y482 H484 V536	K480-D545 VanDerWaalsContact CD-OD2 3.25Å; K480-D545 WeakPolarHBondContact CD-OD2 3.12Å; K480-D545 WeakPolarHBondContact CE-OD1 3.38Å; K480-D545 WeakPolarHBondContact CE-OD2 3.25Å; K480-D545 IonicContact NZ-OD1 3.5Å; K480-D545 PolarHBondContact NZ-OD1 3.09Å; K480-D545 IonicContact NZ-OD2 3.94Å; K480-D545 PolarHBondContact NZ-OD2 3.15Å; Y482-D545 HydrophobicContact CE2-CB 4.09Å; H484-D545 HydrophobicContact CB-CB 4.12Å; H484-D545 IonicContact CD2-OD1 3.38Å; H484-D545 PolarHBondContact CD2-OD1 2.85Å; H484-D545 VanDerWaalsContact CD2-OD1 3.3Å; H484-D545 IonicContact CG-OD1 2.81Å; V536-D545 HydrophobicContact CG2-CB 3.76Å; V536-D545 PolarHBondContact N-O 2.91Å; V536-D545 PolarHBondContact O-N 3.45Å
546	V	80.8	Confident	70.3	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.4	172.1	175.9	0	0	0	0	108.1	W471 H484 L485 W500 L514 A533 V535 I588	W471-V546 WeakPolarHBondContact CZ3-O 3.39Å; H484-V546 WeakPolarHBondContact CA-O 3.15Å; L485-V546 HydrophobicContact CB-CB 4.17Å; L485-V546 PolarHBondContact N-O 3.5Å; L485-V546 VanDerWaalsContact N-O 3.17Å; W500-V546 HydrophobicContact CH2-CG2 3.91Å; W500-V546 HydrophobicContact CZ2-CB 4.21Å; W500-V546 HydrophobicContact CZ2-CG2 3.32Å; L514-V546 HydrophobicContact CD1-CG1 4.18Å; L514-V546 HydrophobicContact CD2-CG1 4.24Å; A533-V546 HydrophobicContact CB-CG1 3.54Å; V535-V546 HydrophobicContact CG2-CG2 4.24Å; V546-I588 HydrophobicContact CG2-CD1 4.28Å
547	V	86.6	Confident	69.9	Low	0 Å²	0	71.4 Å²	71.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.7	-173.3	-178	0	0	0	0	109.9	Y482 A533 V534 V536 F558 T567	Y482-V547 HydrophobicContact CD1-CG2 4.21Å; Y482-V547 HydrophobicContact CD2-CG2 3.71Å; Y482-V547 HydrophobicContact CE1-CG2 4.4Å; Y482-V547 HydrophobicContact CE2-CG2 3.96Å; Y482-V547 HydrophobicContact CG-CG1 4.22Å; Y482-V547 HydrophobicContact CG-CG2 3.88Å; A533-V547 CarbonylContact C-O 3.54Å; A533-V547 WeakPolarHBondContact CA-O 3.33Å; A533-V547 WeakPolarHBondContact CB-O 3.36Å; V534-V547 PolarHBondContact N-O 3.45Å; V534-V547 PolarHBondContact O-N 3.44Å; V536-V547 HydrophobicContact CG1-CG2 4.16Å; V536-V547 HydrophobicContact CG2-CG2 3.75Å; V547-F558 HydrophobicContact CB-CE1 3.95Å; V547-F558 HydrophobicContact CG1-CD1 4.36Å; V547-F558 HydrophobicContact CG1-CE1 3.74Å; V547-F558 HydrophobicContact CG1-CZ 4.15Å; V547-F558 HydrophobicContact CG2-CE1 4.2Å; V547-T567 HydrophobicContact CG1-CG2 3.52Å
548	P	88.7	Confident	70.3	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	141.3	-174.9	30.6	-33.7	0	0	0	111.6	W471 S483 L520 V530 T567 L568	W471-P548 HydrophobicContact CD2-CB 4.45Å; W471-P548 HydrophobicContact CD2-CG 4.32Å; W471-P548 HydrophobicContact CE3-CB 4.1Å; W471-P548 HydrophobicContact CE3-CG 3.78Å; W471-P548 HydrophobicContact CH2-CB 3.76Å; W471-P548 HydrophobicContact CH2-CG 4.31Å; W471-P548 HydrophobicContact CZ2-CB 4.11Å; W471-P548 HydrophobicContact CZ3-CB 3.75Å; W471-P548 HydrophobicContact CZ3-CG 3.78Å; S483-P548 VanDerWaalsContact O-CD 3.25Å; S483-P548 WeakPolarHBondContact O-CD 3.42Å; L520-P548 HydrophobicContact CD1-CB 3.89Å; L520-P548 HydrophobicContact CD1-CG 3.5Å; L520-P548 VanDerWaalsContact CD1-CG 3.5Å; V530-P548 HydrophobicContact CB-CB 4.46Å; V530-P548 HydrophobicContact CG1-CB 3.56Å; V530-P548 HydrophobicContact CG2-CB 4.04Å; P548-T567 WeakPolarHBondContact O-CA 3.32Å; P548-L568 HydrophobicContact CB-CB 4.14Å; P548-L568 HydrophobicContact CB-CD1 4.41Å; P548-L568 HydrophobicContact CG-CB 4.08Å; P548-L568 PolarHBondContact O-N 2.92Å
549	C	85.5	Confident	70.4	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.2	179.2	-69.7	0	0	0	0	110.2	W532 S551 A554 A555	W532-C549 PolarHBondContact O-N 3.3Å; C549-S551 VanDerWaalsContact C-N 3.35Å; C549-S551 PolarHBondContact O-N 3.45Å; C549-A554 HydrophobicContact CB-CB 4.3Å; C549-A555 HydrophobicContact CB-CB 3.83Å
550	D	81.5	Confident	70.7	Confident	113 Å²	113	61.4 Å²	61.4	60%	0.604	28%	0.277	S	S	*	.	S	Bend	trans	-68.8	-33.9	-173.7	-154.7	33.7	0	0	0	112.8	A554 L568	D550-A554 HydrophobicContact CB-CB 4.39Å; D550-L568 HydrophobicContact CB-CD2 3.8Å; D550-L568 HydrophobicContact CB-CG 4.36Å
551	S	82.4	Confident	71.5	Confident	35 Å²	35	58 Å²	58	25%	0.245	27%	0.271	C	S	.	.	S	Bend	trans	-147.3	173.1	177.7	87.2	0	0	0	0	111.7	C549 E553 A554 A555	C549-S551 VanDerWaalsContact C-N 3.35Å; C549-S551 PolarHBondContact O-N 3.45Å; S551-E553 VanDerWaalsContact C-N 3.26Å; S551-E553 WeakPolarHBondContact CB-OE2 3.37Å; S551-E553 PolarHBondContact O-N 2.91Å; S551-E553 PolarHBondContact OG-N 3.37Å; S551-E553 VanDerWaalsContact OG-N 3.13Å; S551-E553 PolarHBondContact OG-OE2 3.26Å; S551-A554 WeakPolarHBondContact O-CB 3.46Å; S551-A554 PolarHBondContact O-N 3.1Å; S551-A554 PolarHBondContact OG-N 3.32Å; S551-A554 VanDerWaalsContact OG-N 3.11Å; S551-A555 PolarHBondContact O-N 3.34Å
552	R	75	Confident	72.8	Confident	116 Å²	116	52.7 Å²	52.7	44%	0.438	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-36.4	172.1	-174	-180	173.5	-165.7	-2.5	111.8	W532 A555 Y556	W532-R552 HydrophobicContact CD2-CB 3.91Å; W532-R552 HydrophobicContact CD2-CG 4.44Å; W532-R552 HydrophobicContact CE3-CB 4.29Å; W532-R552 HydrophobicContact CE3-CG 4.33Å; W532-R552 HydrophobicContact CG-CB 4.28Å; W532-R552 HydrophobicContact CH2-CG 4.43Å; W532-R552 HydrophobicContact CZ2-CB 4.23Å; W532-R552 HydrophobicContact CZ3-CG 4.32Å; R552-A555 PolarHBondContact O-N 3.01Å; R552-Y556 WeakPolarHBondContact O-CB 3.39Å; R552-Y556 PolarHBondContact O-N 2.86Å
553	E	73.7	Confident	74.2	Confident	91 Å²	91	44.8 Å²	44.8	43%	0.425	23%	0.228	S	C	.	.	H	α-helix	trans	-68.4	-36.9	175.2	-57.1	65.3	-139.2	0	0	111	S551 Y556 K557	S551-E553 VanDerWaalsContact C-N 3.26Å; S551-E553 WeakPolarHBondContact CB-OE2 3.37Å; S551-E553 PolarHBondContact O-N 2.91Å; S551-E553 PolarHBondContact OG-N 3.37Å; S551-E553 VanDerWaalsContact OG-N 3.13Å; S551-E553 PolarHBondContact OG-OE2 3.26Å; E553-Y556 PolarHBondContact O-N 2.82Å; E553-K557 WeakPolarHBondContact O-CB 3.12Å; E553-K557 WeakPolarHBondContact O-CG 3.18Å; E553-K557 PolarHBondContact O-N 2.85Å
554	A	76.7	Confident	74.9	Confident	15 Å²	15	47 Å²	47	12%	0.124	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-44.7	173.2	0	0	0	0	0	111.1	C549 D550 S551 Y556 K557 F558	C549-A554 HydrophobicContact CB-CB 4.3Å; D550-A554 HydrophobicContact CB-CB 4.39Å; S551-A554 WeakPolarHBondContact O-CB 3.46Å; S551-A554 PolarHBondContact O-N 3.1Å; S551-A554 PolarHBondContact OG-N 3.32Å; S551-A554 VanDerWaalsContact OG-N 3.11Å; A554-Y556 PolarHBondContact O-N 2.87Å; A554-K557 PolarHBondContact O-N 2.89Å; A554-F558 WeakPolarHBondContact O-CB 3.32Å; A554-F558 PolarHBondContact O-N 3.43Å
555	A	72.9	Confident	75.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-43.2	173.9	0	0	0	0	0	112.4	V511 V534 C549 S551 R552 F558 L559	V511-A555 HydrophobicContact CG1-CB 3.9Å; V511-A555 HydrophobicContact CG2-CB 4.14Å; V534-A555 HydrophobicContact CG2-CB 3.7Å; C549-A555 HydrophobicContact CB-CB 3.83Å; S551-A555 PolarHBondContact O-N 3.34Å; R552-A555 PolarHBondContact O-N 3.01Å; A555-F558 PolarHBondContact O-N 3.12Å; A555-L559 WeakPolarHBondContact O-CG 3.28Å; A555-L559 PolarHBondContact O-N 3.04Å; A555-L559 VanDerWaalsContact O-N 3.11Å
556	Y	65.9	Low	75.8	Confident	127 Å²	127	53.1 Å²	53.1	50%	0.498	27%	0.273	S	S	.	.	H	α-helix	trans	-62.5	-49.5	173.7	-168.5	-93.4	0	0	0	111.2	D92 R552 E553 A554 F558 L559 M560	D92-Y556 PolarHBondContact OD1-OH 2.91Å; R552-Y556 WeakPolarHBondContact O-CB 3.39Å; R552-Y556 PolarHBondContact O-N 2.86Å; E553-Y556 PolarHBondContact O-N 2.82Å; A554-Y556 PolarHBondContact O-N 2.87Å; Y556-F558 VanDerWaalsContact C-N 3.31Å; Y556-F558 PolarHBondContact O-N 3.2Å; Y556-L559 WeakPolarHBondContact O-CB 3.36Å; Y556-L559 PolarHBondContact O-N 3.06Å; Y556-M560 HydrophobicContact CD1-CG 3.54Å; Y556-M560 HydrophobicContact CD1-SD 4.32Å; Y556-M560 HydrophobicContact CE1-CE 4.36Å; Y556-M560 HydrophobicContact CE1-CG 3.33Å; Y556-M560 HydrophobicContact CE1-SD 3.51Å; Y556-M560 VanDerWaalsContact CE1-SD 3.51Å; Y556-M560 HydrophobicContact CG-CG 4.28Å; Y556-M560 WeakPolarHBondContact O-CB 3.44Å; Y556-M560 WeakPolarHBondContact O-CG 3.12Å; Y556-M560 PolarHBondContact O-N 3.06Å
557	K	68.7	Low	76	Confident	112 Å²	112	53.6 Å²	53.6	49%	0.487	28%	0.276	S	S	.	.	H	α-helix	trans	-61.1	-36.9	177.8	-74	172.4	-178.4	178.6	0	112.8	E553 A554 M560 S561 H566	E553-K557 WeakPolarHBondContact O-CB 3.12Å; E553-K557 WeakPolarHBondContact O-CG 3.18Å; E553-K557 PolarHBondContact O-N 2.85Å; A554-K557 PolarHBondContact O-N 2.89Å; K557-M560 PolarHBondContact O-N 2.91Å; K557-S561 WeakPolarHBondContact O-CB 3.04Å; K557-S561 PolarHBondContact O-N 3.35Å; K557-S561 VanDerWaalsContact O-N 3.1Å; K557-S561 PolarHBondContact O-OG 2.98Å; K557-H566 HydrophobicContact CB-CB 4.21Å
558	F	77.6	Confident	75.8	Confident	18 Å²	18	54.3 Å²	54.3	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-48.6	175	174.1	-132.3	0	0	0	111.5	Y482 V534 V536 V547 A554 A555 Y556 G562 D563 K564 H566 T567	Y482-F558 HydrophobicContact CD1-CZ 4.37Å; V534-F558 HydrophobicContact CB-CD1 3.84Å; V534-F558 HydrophobicContact CB-CE1 4.05Å; V534-F558 HydrophobicContact CG1-CD1 4.19Å; V534-F558 HydrophobicContact CG1-CE1 4.2Å; V534-F558 HydrophobicContact CG2-CD1 3.81Å; V536-F558 HydrophobicContact CG1-CE1 4.1Å; V536-F558 HydrophobicContact CG1-CZ 4.47Å; V547-F558 HydrophobicContact CB-CE1 3.95Å; V547-F558 HydrophobicContact CG1-CD1 4.36Å; V547-F558 HydrophobicContact CG1-CE1 3.74Å; V547-F558 HydrophobicContact CG1-CZ 4.15Å; V547-F558 HydrophobicContact CG2-CE1 4.2Å; A554-F558 WeakPolarHBondContact O-CB 3.32Å; A554-F558 PolarHBondContact O-N 3.43Å; A555-F558 PolarHBondContact O-N 3.12Å; Y556-F558 VanDerWaalsContact C-N 3.31Å; Y556-F558 PolarHBondContact O-N 3.2Å; F558-G562 VanDerWaalsContact O-CA 3.29Å; F558-G562 WeakPolarHBondContact O-CA 3.23Å; F558-G562 PolarHBondContact O-N 3.22Å; F558-D563 WeakPolarHBondContact CD2-O 3.27Å; F558-K564 HydrophobicContact CE2-CG 4.45Å; F558-H566 HydrophobicContact CB-CB 3.95Å; F558-T567 HydrophobicContact CB-CG2 4.11Å; F558-T567 HydrophobicContact CD1-CG2 3.59Å; F558-T567 HydrophobicContact CD2-CG2 3.44Å; F558-T567 VanDerWaalsContact CD2-CG2 3.44Å; F558-T567 HydrophobicContact CE1-CG2 3.81Å; F558-T567 HydrophobicContact CE2-CG2 3.65Å; F558-T567 HydrophobicContact CG-CG2 3.42Å; F558-T567 VanDerWaalsContact CG-CG2 3.42Å; F558-T567 HydrophobicContact CZ-CG2 3.84Å
559	L	64.8	Low	75.3	Confident	32 Å²	32	57.7 Å²	57.7	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-55.7	-51.8	173.1	-76.6	166.9	0	0	0	111.7	P509 V511 V534 A555 Y556 S561	P509-L559 HydrophobicContact CB-CD2 3.52Å; P509-L559 HydrophobicContact CG-CD2 3.51Å; V511-L559 HydrophobicContact CG2-CD1 3.33Å; V534-L559 HydrophobicContact CG1-CD1 4.43Å; V534-L559 HydrophobicContact CG1-CD2 3.53Å; V534-L559 HydrophobicContact CG1-CG 3.86Å; V534-L559 HydrophobicContact CG2-CD1 4.31Å; V534-L559 HydrophobicContact CG2-CG 4.06Å; A555-L559 WeakPolarHBondContact O-CG 3.28Å; A555-L559 PolarHBondContact O-N 3.04Å; A555-L559 VanDerWaalsContact O-N 3.11Å; Y556-L559 WeakPolarHBondContact O-CB 3.36Å; Y556-L559 PolarHBondContact O-N 3.06Å; L559-S561 VanDerWaalsContact C-N 3.32Å; L559-S561 PolarHBondContact O-N 3.43Å
560	M	58.1	Low	74.5	Confident	43 Å²	43	58.1 Å²	58.1	21%	0.212	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-34	-175.2	-74.7	-71.3	-56.9	0	0	115.3	G90 D92 Y556 K557	G90-M560 CarbonylContact C-O 3.55Å; D92-M560 WeakPolarHBondContact CA-SD 3.12Å; D92-M560 HydrophobicContact CB-CE 4.23Å; D92-M560 HydrophobicContact CB-SD 4.13Å; D92-M560 VanDerWaalsContact CG-CE 3.48Å; D92-M560 VanDerWaalsContact OD1-CE 3.24Å; D92-M560 WeakPolarHBondContact OD1-CE 3.21Å; Y556-M560 HydrophobicContact CD1-CG 3.54Å; Y556-M560 HydrophobicContact CD1-SD 4.32Å; Y556-M560 HydrophobicContact CE1-CE 4.36Å; Y556-M560 HydrophobicContact CE1-CG 3.33Å; Y556-M560 HydrophobicContact CE1-SD 3.51Å; Y556-M560 VanDerWaalsContact CE1-SD 3.51Å; Y556-M560 HydrophobicContact CG-CG 4.28Å; Y556-M560 WeakPolarHBondContact O-CB 3.44Å; Y556-M560 WeakPolarHBondContact O-CG 3.12Å; Y556-M560 PolarHBondContact O-N 3.06Å; K557-M560 PolarHBondContact O-N 2.91Å
561	S	67.9	Low	73.4	Confident	53 Å²	53	58.6 Å²	58.6	37%	0.371	30%	0.3	S	S	.	.	H	α-helix	trans	-114.4	-22.3	-169.2	64.3	0	0	0	0	113.7	K557 L559 D563	K557-S561 WeakPolarHBondContact O-CB 3.04Å; K557-S561 PolarHBondContact O-N 3.35Å; K557-S561 VanDerWaalsContact O-N 3.1Å; K557-S561 PolarHBondContact O-OG 2.98Å; L559-S561 VanDerWaalsContact C-N 3.32Å; L559-S561 PolarHBondContact O-N 3.43Å; S561-D563 PolarHBondContact O-N 3.29Å; S561-D563 WeakPolarHBondContact OG-CB 3.04Å; S561-D563 PolarHBondContact OG-N 3.22Å
562	G	69.4	Low	72.2	Confident	42 Å²	42	60.6 Å²	60.6	43%	0.433	31%	0.307	S	S	.	.			trans	64.1	8.8	-163.2	0	0	0	0	0	114.2	F558	F558-G562 VanDerWaalsContact O-CA 3.29Å; F558-G562 WeakPolarHBondContact O-CA 3.23Å; F558-G562 PolarHBondContact O-N 3.22Å
563	D	76.5	Confident	71.2	Confident	72 Å²	72	63.5 Å²	63.5	39%	0.385	32%	0.323	S	S	.	.			trans	-83.9	123.7	-178.4	-168.8	9.3	0	0	0	111.9	F558 S561 T565 H566	F558-D563 WeakPolarHBondContact CD2-O 3.27Å; S561-D563 PolarHBondContact O-N 3.29Å; S561-D563 WeakPolarHBondContact OG-CB 3.04Å; S561-D563 PolarHBondContact OG-N 3.22Å; D563-T565 PolarHBondContact O-N 3.11Å; D563-T565 PolarHBondContact OD1-N 2.77Å; D563-T565 WeakPolarHBondContact OD2-CG2 3.41Å; D563-T565 PolarHBondContact OD2-OG1 3.32Å; D563-H566 PolarHBondContact O-N 2.91Å
564	K	76.7	Confident	70.1	Confident	85 Å²	85	61.6 Å²	61.6	37%	0.37	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-77	-11.2	-175.4	-55.6	166.8	-147.7	150.7	0	112	P481 F558 H566 T567	P481-K564 HydrophobicContact CB-CD 3.89Å; P481-K564 HydrophobicContact CG-CD 3.82Å; P481-K564 WeakPolarHBondContact O-CD 3.16Å; F558-K564 HydrophobicContact CE2-CG 4.45Å; K564-H566 PolarHBondContact O-N 3.24Å; K564-H566 VanDerWaalsContact O-N 3.16Å; K564-T567 PolarHBondContact O-N 3.17Å; K564-T567 PolarHBondContact O-OG1 3.07Å
565	T	81.6	Confident	68.9	Low	103 Å²	103	67.1 Å²	67.1	63%	0.632	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-59.1	-18.6	168.2	63.5	0	0	0	0	112.5	D563	D563-T565 PolarHBondContact O-N 3.11Å; D563-T565 PolarHBondContact OD1-N 2.77Å; D563-T565 WeakPolarHBondContact OD2-CG2 3.41Å; D563-T565 PolarHBondContact OD2-OG1 3.32Å
566	H	81.2	Confident	67.7	Low	57 Å²	57	73.3 Å²	73.3	26%	0.264	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-92.3	5.6	173.8	-55.9	-43.1	0	0	0	114	K557 F558 D563 K564	K557-H566 HydrophobicContact CB-CB 4.21Å; F558-H566 HydrophobicContact CB-CB 3.95Å; D563-H566 PolarHBondContact O-N 2.91Å; K564-H566 PolarHBondContact O-N 3.24Å; K564-H566 VanDerWaalsContact O-N 3.16Å
567	T	84.1	Confident	66.8	Low	10 Å²	10	69 Å²	69	6%	0.061	36%	0.361	C	S	.	.	S	Bend	trans	-112.7	149.7	177.5	68.8	0	0	0	0	110.6	V547 P548 F558 K564 L569	V547-T567 HydrophobicContact CG1-CG2 3.52Å; P548-T567 WeakPolarHBondContact O-CA 3.32Å; F558-T567 HydrophobicContact CB-CG2 4.11Å; F558-T567 HydrophobicContact CD1-CG2 3.59Å; F558-T567 HydrophobicContact CD2-CG2 3.44Å; F558-T567 VanDerWaalsContact CD2-CG2 3.44Å; F558-T567 HydrophobicContact CE1-CG2 3.81Å; F558-T567 HydrophobicContact CE2-CG2 3.65Å; F558-T567 HydrophobicContact CG-CG2 3.42Å; F558-T567 VanDerWaalsContact CG-CG2 3.42Å; F558-T567 HydrophobicContact CZ-CG2 3.84Å; K564-T567 PolarHBondContact O-N 3.17Å; K564-T567 PolarHBondContact O-OG1 3.07Å; T567-L569 PolarHBondContact O-N 2.99Å
568	L	83.9	Confident	65.4	Low	16 Å²	16	68.4 Å²	68.4	8%	0.084	37%	0.368	C	S	.	.			trans	-78.9	122.1	176.6	-62.5	177.8	0	0	0	110.1	S483 L520 L522 V530 P548 D550	S483-L568 WeakPolarHBondContact CB-O 3.25Å; S483-L568 PolarHBondContact OG-O 3.5Å; L520-L568 HydrophobicContact CD1-CB 3.8Å; L520-L568 HydrophobicContact CD2-CB 3.98Å; L522-L568 HydrophobicContact CD2-CD2 4.26Å; V530-L568 HydrophobicContact CG2-CD1 4.14Å; P548-L568 HydrophobicContact CB-CB 4.14Å; P548-L568 HydrophobicContact CB-CD1 4.41Å; P548-L568 HydrophobicContact CG-CB 4.08Å; P548-L568 PolarHBondContact O-N 2.92Å; D550-L568 HydrophobicContact CB-CD2 3.8Å; D550-L568 HydrophobicContact CB-CG 4.36Å
569	L	78.2	Confident	63.1	Low	70 Å²	70	73.1 Å²	73.1	37%	0.366	40%	0.404	S	S	.	.			trans	-97.4	113	178.6	-60.5	-178.1	0	0	0	110.1	P474 S483 T567	P474-L569 HydrophobicContact CG-CD2 3.98Å; S483-L569 WeakPolarHBondContact OG-CA 3.29Å; T567-L569 PolarHBondContact O-N 2.99Å
570	S	68.9	Low	61.4	Low	10 Å²	10	77.1 Å²	77.1	7%	0.07	43%	0.433	C	S	.	.			trans	-68.9	137.7	168.5	-176.6	0	0	0	0	109.4	S483	S483-S570 PolarHBondContact OG-N 3.01Å
571	Q	57.6	Low	59.9	Low	124 Å²	124	79.3 Å²	79.3	58%	0.579	46%	0.458	S	S	*	.			trans	-119.2	3.1	-177.8	-106.7	-165.3	29.2	0	0	115	P523	P523-Q571 HydrophobicContact CB-CB 4.34Å; P523-Q571 VanDerWaalsContact CB-CD 3.41Å; P523-Q571 HydrophobicContact CB-CG 4.21Å; P523-Q571 HydrophobicContact CG-CB 4.15Å; P523-Q571 VanDerWaalsContact CG-CD 3.5Å; P523-Q571 HydrophobicContact CG-CG 3.88Å
572	L	57.5	Low	58.1	Low	76 Å²	76	83.1 Å²	83.1	40%	0.398	48%	0.483	S	S	.	.	S	Bend	trans	-138.7	150.6	-174.3	-78.9	162.5	0	0	0	112.3	K521 D525	K521-L572 HydrophobicContact CD-CD1 3.89Å; K521-L572 HydrophobicContact CG-CD1 4.34Å; D525-L572 VanDerWaalsContact OD1-CD1 3.29Å; D525-L572 WeakPolarHBondContact OD1-CD1 3.27Å
573	K	54.1	Low	56.4	Low	177 Å²	177	84.1 Å²	84.1	77%	0.77	49%	0.488	S	S	*	.	S	Bend	trans	-49.7	148.2	173.3	-74.2	-179	175.6	-179.3	0	111.5	Q575	K573-Q575 PolarHBondContact O-N 2.74Å; K573-Q575 VanDerWaalsContact O-N 3.14Å
574	P	50	Low	54.8	Low	51 Å²	51	82.9 Å²	82.9	33%	0.331	48%	0.483	S	S	.	.			trans	-45.1	118.1	-175.5	10.3	-26.6	0	0	0	113.4	F470 F488	F470-P574 HydrophobicContact CB-CB 4.16Å; F470-P574 HydrophobicContact CD2-CB 3.58Å; F470-P574 HydrophobicContact CD2-CG 4.05Å; F470-P574 HydrophobicContact CE2-CB 4.16Å; F470-P574 HydrophobicContact CE2-CG 4.11Å; F470-P574 HydrophobicContact CG-CB 4.01Å; F488-P574 HydrophobicContact CD1-CB 4.18Å; F488-P574 HydrophobicContact CD1-CG 4.04Å; F488-P574 HydrophobicContact CD2-CG 4.03Å; F488-P574 HydrophobicContact CE1-CB 4.43Å; F488-P574 HydrophobicContact CE1-CG 4Å; F488-P574 HydrophobicContact CE2-CG 3.99Å; F488-P574 HydrophobicContact CG-CB 4.38Å; F488-P574 HydrophobicContact CG-CG 4.05Å; F488-P574 HydrophobicContact CZ-CG 3.98Å
575	Q	52.2	Low	53.2	Low	131 Å²	131	79.7 Å²	79.7	61%	0.612	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-94.4	141.1	157.1	-71.7	-165.8	-44.4	0	0	108.7	K521 K573	K521-Q575 VanDerWaalsContact CD-OE1 3.26Å; K573-Q575 PolarHBondContact O-N 2.74Å; K573-Q575 VanDerWaalsContact O-N 3.14Å
576	E	47.8	Very low	51.6	Low	130 Å²	130	74.8 Å²	74.8	61%	0.607	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-60.8	138.9	179.9	-66	177.7	101.4	0	0	111.3	Q490	Q490-E576 PolarHBondContact NE2-OE1 3.12Å
577	A	45.7	Very low	50	Low	36 Å²	36	73.4 Å²	73.4	30%	0.298	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-58.6	134.9	156.2	0	0	0	0	0	108.6	P518 S579	P518-A577 HydrophobicContact CB-CB 4.12Å; A577-S579 PolarHBondContact O-N 2.88Å
578	P	39.7	Very low	48.5	Very low	100 Å²	100	73 Å²	73	65%	0.649	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-50.8	125.8	-178.4	-29.2	35.1	0	0	0	112.1	C580	P578-C580 VanDerWaalsContact C-N 3.35Å; P578-C580 PolarHBondContact O-N 3.38Å
579	S	29.6	Very low	46.8	Very low	117 Å²	117	73.9 Å²	73.9	82%	0.818	44%	0.436	S	S	*	.			trans	-71	81.9	-170.2	58.2	0	0	0	0	112.4	A577	A577-S579 PolarHBondContact O-N 2.88Å
580	C	28.6	Very low	45.3	Very low	117 Å²	117	72.7 Å²	72.7	79%	0.791	43%	0.427	S	S	*	.			trans	-136	116.9	172.7	-84.6	0	0	0	0	112.6	P578	P578-C580 VanDerWaalsContact C-N 3.35Å; P578-C580 PolarHBondContact O-N 3.38Å
581	A	27.2	Very low	44.1	Very low	88 Å²	88	75.7 Å²	75.7	73%	0.727	44%	0.441	S	S	*	.	S	Bend	trans	56.7	93.1	156.5	0	0	0	0	0	119.4	A583	A581-A583 PolarHBondContact O-N 3.17Å
582	C	29.6	Very low	43.1	Very low	134 Å²	134	72.9 Å²	72.9	91%	0.905	43%	0.428	S	S	*	.	S	Bend		63.9	8	124.7	-55.8	0	0	0	0	121.5
583	A	33.8	Very low	41.8	Very low	63 Å²	63	73.6 Å²	73.6	52%	0.521	44%	0.437	S	S	.	.			trans	-162.2	106.5	158.7	0	0	0	0	0	111.7	A581 S585	A581-A583 PolarHBondContact O-N 3.17Å; A583-S585 PolarHBondContact O-N 2.63Å; A583-S585 PolarHBondContact O-OG 3.32Å
584	T	43.4	Very low	40.6	Very low	46 Å²	46	74.5 Å²	74.5	28%	0.282	44%	0.441	S	S	.	.			trans	-77.4	63.4	171.2	-12.8	0	0	0	0	110	L469	L469-T584 HydrophobicContact CB-CG2 3.87Å; L469-T584 HydrophobicContact CD1-CG2 3.78Å; L469-T584 WeakPolarHBondContact CD1-O 3.49Å; L469-T584 HydrophobicContact CG-CG2 4.1Å
585	S	43.4	Very low	39.6	Very low	18 Å²	18	74 Å²	74	13%	0.126	44%	0.436	C	S	.	.			trans	-104.1	90.5	-169.9	52.5	0	0	0	0	110.7	R515 A583 L587	R515-S585 VanDerWaalsContact O-O 3.09Å; A583-S585 PolarHBondContact O-N 2.63Å; A583-S585 PolarHBondContact O-OG 3.32Å; S585-L587 PolarHBondContact O-N 3.06Å
586	A	46.8	Very low	38.5	Very low	0 Å²	0	71.5 Å²	71.5	0%	0	43%	0.426	C	S	.	.			trans	-66.2	101.8	162.2	0	0	0	0	0	108	V456 L485 W500 R515 I588	V456-A586 HydrophobicContact CG2-CB 4.18Å; L485-A586 HydrophobicContact CD2-CB 4.09Å; W500-A586 HydrophobicContact CH2-CB 3.98Å; W500-A586 HydrophobicContact CZ3-CB 4.06Å; R515-A586 VanDerWaalsContact O-CA 3.31Å; R515-A586 WeakPolarHBondContact O-CA 3.42Å; A586-I588 PolarHBondContact O-N 3.35Å
587	L	48.4	Very low	37.5	Very low	28 Å²	28	69.3 Å²	69.3	15%	0.147	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116.9	174.2	-68.5	164	0	0	0	108.7	E453 H454 V455 L514 R515 S585	E453-L587 HydrophobicContact CB-CD2 3.97Å; E453-L587 HydrophobicContact CG-CD2 4.32Å; H454-L587 WeakPolarHBondContact O-CA 3.4Å; V455-L587 HydrophobicContact CG2-CD2 3.73Å; L514-L587 WeakPolarHBondContact CA-O 3.1Å; R515-L587 HydrophobicContact CB-CB 4Å; R515-L587 HydrophobicContact CB-CD1 4.2Å; R515-L587 HydrophobicContact CG-CB 4.15Å; R515-L587 PolarHBondContact N-O 2.99Å; R515-L587 PolarHBondContact O-N 3.35Å; S585-L587 PolarHBondContact O-N 3.06Å
588	I	52.8	Low	36.7	Very low	0 Å²	0	70.9 Å²	70.9	0%	0	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.6	168.7	-79.8	171	0	0	0	109	E453 H454 W500 L504 V512 E513 L514 V535 V546 A586	E453-I588 WeakPolarHBondContact CA-O 3.19Å; H454-I588 HydrophobicContact CB-CB 4.16Å; H454-I588 PolarHBondContact N-O 3.31Å; H454-I588 PolarHBondContact O-N 3.16Å; H454-I588 VanDerWaalsContact O-N 3.16Å; W500-I588 HydrophobicContact CD2-CD1 4.43Å; W500-I588 HydrophobicContact CE3-CD1 3.85Å; W500-I588 HydrophobicContact CH2-CD1 3.67Å; W500-I588 HydrophobicContact CH2-CG1 4.38Å; W500-I588 HydrophobicContact CZ2-CD1 4.28Å; W500-I588 HydrophobicContact CZ3-CD1 3.42Å; W500-I588 VanDerWaalsContact CZ3-CD1 3.42Å; W500-I588 HydrophobicContact CZ3-CG1 3.98Å; L504-I588 HydrophobicContact CD1-CD1 4.12Å; L504-I588 HydrophobicContact CD2-CD1 3.62Å; L504-I588 HydrophobicContact CD2-CG2 4.27Å; L504-I588 HydrophobicContact CG-CD1 4.49Å; V512-I588 HydrophobicContact CB-CB 4.34Å; V512-I588 HydrophobicContact CB-CG1 4.01Å; V512-I588 HydrophobicContact CB-CG2 3.8Å; V512-I588 HydrophobicContact CG1-CB 4.35Å; V512-I588 HydrophobicContact CG1-CD1 4.37Å; V512-I588 HydrophobicContact CG1-CG1 4.21Å; V512-I588 HydrophobicContact CG1-CG2 3.39Å; V512-I588 HydrophobicContact CG2-CD1 4.31Å; V512-I588 HydrophobicContact CG2-CG1 4.01Å; E513-I588 WeakPolarHBondContact O-CA 3.49Å; L514-I588 HydrophobicContact CD2-CD1 4.47Å; L514-I588 HydrophobicContact CD2-CG1 3.73Å; V535-I588 HydrophobicContact CG2-CD1 4.23Å; V546-I588 HydrophobicContact CG2-CD1 4.28Å; A586-I588 PolarHBondContact O-N 3.35Å
589	K	48.3	Very low	36.3	Very low	35 Å²	35	67.7 Å²	67.7	15%	0.152	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.8	167.7	-80.6	-178.3	170	-164.9	0	111.5	L451 E513	L451-K589 HydrophobicContact CD1-CD 4.06Å; L451-K589 HydrophobicContact CD2-CB 4.07Å; L451-K589 HydrophobicContact CD2-CD 4.24Å; L451-K589 HydrophobicContact CD2-CG 4.19Å; E513-K589 HydrophobicContact CB-CB 4.2Å; E513-K589 PolarHBondContact O-N 2.99Å; E513-K589 VanDerWaalsContact O-N 3.12Å; E513-K589 WeakPolarHBondContact OE2-CD 3.47Å
590	R	45.8	Very low	36.7	Very low	46 Å²	46	69 Å²	69	17%	0.174	43%	0.431	C	S	.	.			trans	-94.8	126.6	177.3	-168.2	175.8	-175	-135.7	-2.5	111.2	H592 D595	R590-H592 PolarHBondContact O-N 2.7Å; R590-D595 IonicContact CZ-OD2 2.62Å; R590-D595 IonicContact NH1-OD2 2.7Å; R590-D595 PolarHBondContact NH1-OD2 3.04Å; R590-D595 IonicContact NH2-OD2 3.54Å; R590-D595 PolarHBondContact NH2-OD2 3.34Å
591	L	43	Very low	37.5	Very low	72 Å²	72	66.2 Å²	66.2	38%	0.377	41%	0.41	S	S	.	.			trans	-76.6	116.8	168.5	-77.1	165.8	0	0	0	109.4	M445 P593	M445-L591 HydrophobicContact CE-CD2 3.93Å; M445-L591 HydrophobicContact SD-CD2 4.22Å; L591-P593 WeakPolarHBondContact O-CD 3.46Å
592	H	37.9	Very low	38.2	Very low	66 Å²	66	65.5 Å²	65.5	31%	0.306	40%	0.404	S	S	.	.			trans	-75.8	-4.8	-177.3	-111.1	-68.3	0	0	0	120.9	N450 R590 F594	N450-H592 PolarHBondContact O-CD2 2.75Å; N450-H592 PolarHBondContact O-NE2 3.17Å; R590-H592 PolarHBondContact O-N 2.7Å; H592-F594 PolarHBondContact O-N 2.88Å
593	P	29.4	Very low	39.1	Very low	90 Å²	90	61 Å²	61	58%	0.584	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-0	-165.3	-26.2	33.8	0	0	0	119.8	L591	L591-P593 WeakPolarHBondContact O-CD 3.46Å
594	F	29.1	Very low	40.4	Very low	196 Å²	196	59.6 Å²	59.6	86%	0.86	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.2	12.2	-168.7	-68	-74.1	0	0	0	116	H592	H592-F594 PolarHBondContact O-N 2.88Å
595	D	29.6	Very low	40.8	Very low	40 Å²	40	64.7 Å²	64.7	21%	0.214	38%	0.383	C	S	.	.			trans	-105.7	47.7	-172.2	-145.3	-10	0	0	0	114.6	R590 S598	R590-D595 IonicContact CZ-OD2 2.62Å; R590-D595 IonicContact NH1-OD2 2.7Å; R590-D595 PolarHBondContact NH1-OD2 3.04Å; R590-D595 IonicContact NH2-OD2 3.54Å; R590-D595 PolarHBondContact NH2-OD2 3.34Å; D595-S598 VanDerWaalsContact CG-OG 3.28Å; D595-S598 WeakPolarHBondContact OD1-CB 3.47Å; D595-S598 PolarHBondContact OD1-OG 2.68Å
596	I	29.6	Very low	41.8	Very low	80 Å²	80	69 Å²	69	41%	0.41	40%	0.404	S	S	.	.			trans	-79.9	-20.9	177.2	-49.1	179.7	0	0	0	111.3	S598 F649	I596-S598 PolarHBondContact O-N 2.76Å; I596-F649 HydrophobicContact CD1-CB 4Å; I596-F649 HydrophobicContact CD1-CG 4.3Å; I596-F649 HydrophobicContact CG2-CB 4Å
597	G	26.5	Very low	42.7	Very low	84 Å²	84	69.9 Å²	69.9	87%	0.866	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.2	-173.9	0	0	0	0	0	116.1
598	S	28.2	Very low	42.7	Very low	69 Å²	69	69.6 Å²	69.6	48%	0.483	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	0.3	-170.7	64.4	0	0	0	0	114.8	D595 I596 T600	D595-S598 VanDerWaalsContact CG-OG 3.28Å; D595-S598 WeakPolarHBondContact OD1-CB 3.47Å; D595-S598 PolarHBondContact OD1-OG 2.68Å; I596-S598 PolarHBondContact O-N 2.76Å; S598-T600 PolarHBondContact O-N 3.13Å
599	S	32	Very low	42.2	Very low	33 Å²	33	71.5 Å²	71.5	23%	0.231	43%	0.427	C	S	.	.			trans	-62	116.5	-179	-175.9	0	0	0	0	112	T601 V646	S599-T601 VanDerWaalsContact OG-CB 3.3Å; S599-T601 WeakPolarHBondContact OG-CB 3.28Å; S599-T601 PolarHBondContact OG-N 2.85Å; S599-T601 PolarHBondContact OG-OG1 2.9Å; S599-V646 WeakPolarHBondContact OG-CG2 3.3Å
600	T	36.7	Very low	42.4	Very low	145 Å²	145	73.9 Å²	73.9	89%	0.89	44%	0.435	S	S	*	.			trans	-78.3	-5.6	166.9	51.8	0	0	0	0	112.4	S598 A602	S598-T600 PolarHBondContact O-N 3.13Å; T600-A602 PolarHBondContact O-N 3.02Å
601	T	45.8	Very low	42.5	Very low	58 Å²	58	78 Å²	78	36%	0.356	45%	0.451	S	S	.	.	S	Bend	trans	-75.4	119.8	-178.4	-34.3	0	0	0	0	109.7	S599 S643	S599-T601 VanDerWaalsContact OG-CB 3.3Å; S599-T601 WeakPolarHBondContact OG-CB 3.28Å; S599-T601 PolarHBondContact OG-N 2.85Å; S599-T601 PolarHBondContact OG-OG1 2.9Å; T601-S643 WeakPolarHBondContact CG2-OG 3.46Å
602	A	41.7	Very low	43.2	Very low	72 Å²	72	76.1 Å²	76.1	60%	0.595	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-60.8	143.1	179.3	0	0	0	0	0	111.3	T600 S643	T600-A602 PolarHBondContact O-N 3.02Å; A602-S643 WeakPolarHBondContact O-CB 3.46Å; A602-S643 PolarHBondContact O-OG 2.86Å
603	P	49	Very low	43.6	Very low	39 Å²	39	73.7 Å²	73.7	25%	0.253	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-66.8	148.8	179.3	26	-33.6	0	0	0	112.3	L605 S643 V646 A647	P603-L605 PolarHBondContact O-N 2.78Å; P603-S643 WeakPolarHBondContact CA-O 3.22Å; P603-V646 HydrophobicContact CB-CB 4.29Å; P603-V646 HydrophobicContact CB-CG1 3.77Å; P603-V646 HydrophobicContact CG-CG1 4.3Å; P603-A647 HydrophobicContact CB-CB 4.07Å
604	T	60.2	Low	44.4	Very low	35 Å²	35	73.9 Å²	73.9	22%	0.215	43%	0.425	C	S	.	.			trans	-67.9	97.9	173.1	-45.7	0	0	0	0	110.2	N606 K607 C608 S643 D644	T604-N606 VanDerWaalsContact CG2-OD1 3.29Å; T604-N606 WeakPolarHBondContact CG2-OD1 3.36Å; T604-N606 PolarHBondContact O-N 2.9Å; T604-K607 HydrophobicContact CG2-CD 4.4Å; T604-K607 HydrophobicContact CG2-CG 4.19Å; T604-K607 PolarHBondContact O-N 3.39Å; T604-C608 PolarHBondContact O-N 3.42Å; T604-S643 PolarHBondContact N-O 2.99Å; T604-S643 WeakPolarHBondContact OG1-CB 3.41Å; T604-S643 PolarHBondContact OG1-O 2.76Å; T604-D644 VanDerWaalsContact CB-OD1 3.23Å; T604-D644 WeakPolarHBondContact CB-OD1 3.4Å; T604-D644 PolarHBondContact OG1-N 3.4Å; T604-D644 PolarHBondContact OG1-OD1 2.99Å
605	L	53.6	Low	45.9	Very low	153 Å²	153	66.7 Å²	66.7	80%	0.801	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-31.5	-168.4	-77.1	166.9	0	0	0	116	P603 C608	P603-L605 PolarHBondContact O-N 2.78Å; L605-C608 WeakPolarHBondContact O-CB 3.27Å
606	N	63.9	Low	48.3	Very low	107 Å²	107	68 Å²	68	57%	0.572	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-18.9	179.4	65.9	-14.4	0	0	0	113.9	T604 R610	T604-N606 VanDerWaalsContact CG2-OD1 3.29Å; T604-N606 WeakPolarHBondContact CG2-OD1 3.36Å; T604-N606 PolarHBondContact O-N 2.9Å; N606-R610 PolarHBondContact O-NE 3.34Å
607	K	64.7	Low	50.6	Low	20 Å²	20	67.3 Å²	67.3	9%	0.087	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-16.2	174.3	-56.1	-168.3	-169.2	173.6	0	112.5	T604 R610 W612 L633 D638 E640 D644 A647	T604-K607 HydrophobicContact CG2-CD 4.4Å; T604-K607 HydrophobicContact CG2-CG 4.19Å; T604-K607 PolarHBondContact O-N 3.39Å; K607-R610 WeakPolarHBondContact O-CB 3.3Å; K607-R610 WeakPolarHBondContact O-CG 3.5Å; K607-R610 PolarHBondContact O-N 3.36Å; K607-W612 HydrophobicContact CB-CH2 4.44Å; K607-W612 HydrophobicContact CB-CZ2 3.99Å; K607-W612 HydrophobicContact CD-CH2 4.12Å; K607-L633 HydrophobicContact CB-CD1 3.59Å; K607-L633 HydrophobicContact CD-CD1 4.14Å; K607-L633 HydrophobicContact CG-CD1 3.76Å; K607-D638 WeakPolarHBondContact CD-O 3.34Å; K607-D638 WeakPolarHBondContact CE-O 3.22Å; K607-D638 PolarHBondContact NZ-O 3.31Å; K607-E640 IonicContact NZ-OE2 3.25Å; K607-E640 PolarHBondContact NZ-OE2 3.39Å; K607-D644 HydrophobicContact CD-CB 4.25Å; K607-D644 VanDerWaalsContact CD-OD1 3.31Å; K607-D644 WeakPolarHBondContact CD-OD1 3.3Å; K607-D644 WeakPolarHBondContact CE-OD1 3.02Å; K607-D644 IonicContact NZ-OD1 3.74Å; K607-D644 PolarHBondContact NZ-OD1 3.3Å; K607-D644 VanDerWaalsContact NZ-OD1 3.11Å; K607-D644 IonicContact NZ-OD2 3.62Å; K607-D644 PolarHBondContact NZ-OD2 3.04Å; K607-A647 HydrophobicContact CB-CB 4.01Å
608	C	49.1	Very low	52.1	Low	22 Å²	22	63.6 Å²	63.6	15%	0.149	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	138.2	169.5	-69.3	0	0	0	0	112.5	T604 L605 R610 L652	T604-C608 PolarHBondContact O-N 3.42Å; L605-C608 WeakPolarHBondContact O-CB 3.27Å; C608-R610 PolarHBondContact O-N 3.23Å; C608-R610 VanDerWaalsContact O-N 3.13Å; C608-L652 HydrophobicContact CB-CD1 3.63Å
609	G	42.7	Very low	53.9	Low	39 Å²	39	60.4 Å²	60.4	40%	0.402	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	4	174.4	0	0	0	0	0	115.2
610	R	51.6	Low	56	Low	85 Å²	85	62 Å²	62	32%	0.321	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-79.8	156.7	171.3	-52.6	-58.2	-174.1	162.7	-5.4	110.6	N606 K607 C608 W612 D630 L633	N606-R610 PolarHBondContact O-NE 3.34Å; K607-R610 WeakPolarHBondContact O-CB 3.3Å; K607-R610 WeakPolarHBondContact O-CG 3.5Å; K607-R610 PolarHBondContact O-N 3.36Å; C608-R610 PolarHBondContact O-N 3.23Å; C608-R610 VanDerWaalsContact O-N 3.13Å; R610-W612 VanDerWaalsContact O-CD1 3.26Å; R610-D630 VanDerWaalsContact CD-O 3.3Å; R610-D630 WeakPolarHBondContact CD-O 3.44Å; R610-D630 VanDerWaalsContact CZ-O 3.27Å; R610-D630 PolarHBondContact NE-O 3.13Å; R610-D630 VanDerWaalsContact NH1-C 3.29Å; R610-D630 PolarHBondContact NH1-O 3.46Å; R610-L633 HydrophobicContact CB-CD1 3.73Å; R610-L633 HydrophobicContact CB-CG 3.82Å; R610-L633 HydrophobicContact CG-CD1 3.81Å; R610-L633 HydrophobicContact CG-CG 4.09Å
611	W	49	Very low	57.3	Low	132 Å²	132	61.7 Å²	61.7	50%	0.5	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.4	175.2	-70.1	86.8	0	0	0	110.4	L631 Y632 L633 M661	W611-L631 PolarHBondContact N-O 2.82Å; W611-Y632 HydrophobicContact CB-CD1 3.47Å; W611-Y632 VanDerWaalsContact CB-CD1 3.47Å; W611-Y632 HydrophobicContact CB-CE1 3.47Å; W611-Y632 VanDerWaalsContact CB-CE1 3.47Å; W611-Y632 HydrophobicContact CB-CG 4.42Å; W611-Y632 HydrophobicContact CG-CD1 4.34Å; W611-Y632 AromaticContact CG-CE1 3.88Å; W611-Y632 HydrophobicContact CG-CE1 3.88Å; W611-Y632 CarbonylContact O-C 3.42Å; W611-Y632 VanDerWaalsContact O-CA 3.28Å; W611-Y632 WeakPolarHBondContact O-CA 3.33Å; W611-L633 PolarHBondContact O-N 2.86Å; W611-M661 HydrophobicContact CH2-CE 4.49Å
612	W	56.4	Low	57.3	Low	33 Å²	33	61.1 Å²	61.1	13%	0.125	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.1	-175.1	-64.8	77.9	0	0	0	111.9	K607 R610 L633 Y635 D638 L639 A648	K607-W612 HydrophobicContact CB-CH2 4.44Å; K607-W612 HydrophobicContact CB-CZ2 3.99Å; K607-W612 HydrophobicContact CD-CH2 4.12Å; R610-W612 VanDerWaalsContact O-CD1 3.26Å; W612-L633 CarbonylContact C-O 3.53Å; W612-L633 VanDerWaalsContact CA-O 3.31Å; W612-L633 WeakPolarHBondContact CA-O 3.34Å; W612-L633 HydrophobicContact CD2-CB 3.95Å; W612-L633 HydrophobicContact CD2-CD1 4.44Å; W612-L633 HydrophobicContact CE3-CB 3.88Å; W612-L633 HydrophobicContact CH2-CB 4.39Å; W612-L633 HydrophobicContact CH2-CD1 3.81Å; W612-L633 HydrophobicContact CZ2-CB 4.44Å; W612-L633 HydrophobicContact CZ2-CD1 3.52Å; W612-L633 HydrophobicContact CZ3-CB 4.1Å; W612-L633 HydrophobicContact CZ3-CD1 4.35Å; W612-Y635 HydrophobicContact CB-CD1 4.28Å; W612-Y635 HydrophobicContact CB-CD2 4.41Å; W612-Y635 HydrophobicContact CB-CE1 3.65Å; W612-Y635 HydrophobicContact CB-CE2 3.79Å; W612-Y635 HydrophobicContact CD2-CD1 4.33Å; W612-Y635 HydrophobicContact CD2-CE1 4.07Å; W612-Y635 AromaticContact CE3-CD1 3.73Å; W612-Y635 HydrophobicContact CE3-CD1 3.73Å; W612-Y635 AromaticContact CE3-CE1 3.94Å; W612-Y635 HydrophobicContact CE3-CE1 3.94Å; W612-Y635 HydrophobicContact CE3-CG 4.43Å; W612-Y635 AromaticContact CG-CE1 3.99Å; W612-Y635 HydrophobicContact CG-CE1 3.99Å; W612-Y635 HydrophobicContact CZ3-CD1 4.44Å; W612-D638 HydrophobicContact CH2-CB 4.47Å; W612-D638 WeakPolarHBondContact CH2-O 3.4Å; W612-D638 HydrophobicContact CZ3-CB 4.04Å; W612-L639 HydrophobicContact CH2-CD1 4.31Å; W612-L639 HydrophobicContact CZ3-CB 4.04Å; W612-L639 HydrophobicContact CZ3-CD1 4.16Å; W612-A648 HydrophobicContact CD2-CB 3.77Å; W612-A648 VanDerWaalsContact CE2-CB 3.4Å; W612-A648 HydrophobicContact CE3-CB 4.18Å; W612-A648 HydrophobicContact CG-CB 4.31Å; W612-A648 HydrophobicContact CH2-CB 3.94Å; W612-A648 HydrophobicContact CZ2-CB 3.5Å; W612-A648 HydrophobicContact CZ3-CB 4.27Å
613	T	46.6	Very low	57.9	Low	16 Å²	16	58.2 Å²	58.2	10%	0.098	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	167.4	173.2	65.3	0	0	0	0	111.4	T615 A618 S619 I622 L633 A634 Y635	T613-T615 PolarHBondContact OG1-O 2.78Å; T613-A618 HydrophobicContact CG2-CB 4.33Å; T613-S619 WeakPolarHBondContact OG1-CA 3.34Å; T613-S619 VanDerWaalsContact OG1-CB 3.31Å; T613-S619 WeakPolarHBondContact OG1-CB 3.43Å; T613-S619 PolarHBondContact OG1-N 3.36Å; T613-I622 HydrophobicContact CG2-CD1 3.84Å; T613-L633 PolarHBondContact N-O 3.17Å; T613-L633 PolarHBondContact OG1-O 3.2Å; T613-A634 CarbonylContact O-C 3.59Å; T613-A634 WeakPolarHBondContact O-CA 3.32Å; T613-Y635 WeakPolarHBondContact O-CD2 3.46Å; T613-Y635 PolarHBondContact O-N 3.38Å
614	D	46.5	Very low	58.4	Low	94 Å²	94	65.4 Å²	65.4	50%	0.503	33%	0.327	S	S	.	.	S	Bend	trans	-60.4	-55.1	173.8	57.7	-17.8	0	0	0	112.6	A618 E636	D614-A618 WeakPolarHBondContact OD1-CB 3.05Å; D614-E636 WeakPolarHBondContact O-CB 3.43Å; D614-E636 PolarHBondContact O-N 2.74Å
615	T	61.5	Low	57.7	Low	45 Å²	45	69.3 Å²	69.3	28%	0.276	34%	0.343	S	S	.	.	S	Bend	trans	-122.2	156.2	-169.6	58.3	0	0	0	0	112.1	T613 A617 A618 S619 A634 E636	T613-T615 PolarHBondContact OG1-O 2.78Å; T615-A617 PolarHBondContact O-N 3.26Å; T615-A618 PolarHBondContact O-N 2.91Å; T615-A618 VanDerWaalsContact O-N 3.08Å; T615-A618 WeakPolarHBondContact OG1-CB 3.3Å; T615-A618 PolarHBondContact OG1-N 3.33Å; T615-S619 PolarHBondContact O-N 2.8Å; T615-S619 VanDerWaalsContact O-N 3.1Å; T615-A634 WeakPolarHBondContact O-CB 3.21Å; T615-E636 WeakPolarHBondContact CA-OE2 3.41Å; T615-E636 VanDerWaalsContact CB-OE2 3.25Å; T615-E636 WeakPolarHBondContact CB-OE2 3.24Å
616	K	79.7	Confident	56.9	Low	66 Å²	66	63.5 Å²	63.5	29%	0.287	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-36.5	175.8	-168.3	52.2	158.7	-160.5	0	111.4	A618 S619 D620 A634 E636 T637 D638	K616-A618 VanDerWaalsContact C-N 3.3Å; K616-A618 PolarHBondContact O-N 3.42Å; K616-S619 PolarHBondContact O-N 2.88Å; K616-D620 WeakPolarHBondContact O-CB 3.41Å; K616-D620 PolarHBondContact O-N 2.94Å; K616-A634 HydrophobicContact CB-CB 4.34Å; K616-A634 HydrophobicContact CD-CB 4.35Å; K616-E636 PolarHBondContact N-OE2 2.8Å; K616-T637 HydrophobicContact CB-CG2 3.89Å; K616-T637 HydrophobicContact CG-CG2 4.42Å; K616-D638 IonicContact NZ-OD1 2.91Å; K616-D638 PolarHBondContact NZ-OD1 2.87Å; K616-D638 IonicContact NZ-OD2 3.01Å; K616-D638 PolarHBondContact NZ-OD2 2.96Å
617	A	76.8	Confident	55.7	Low	66 Å²	66	61.3 Å²	61.3	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-36.4	174.3	0	0	0	0	0	113.3	T615 R621	T615-A617 PolarHBondContact O-N 3.26Å; A617-R621 WeakPolarHBondContact O-CB 3.21Å; A617-R621 PolarHBondContact O-N 2.8Å
618	A	59.5	Low	54.6	Low	7 Å²	7	63 Å²	63	6%	0.058	33%	0.331	C	S	.	.	H	α-helix	trans	-71.9	-45.3	175	0	0	0	0	0	111.9	T613 D614 T615 K616 R621 I622	T613-A618 HydrophobicContact CG2-CB 4.33Å; D614-A618 WeakPolarHBondContact OD1-CB 3.05Å; T615-A618 PolarHBondContact O-N 2.91Å; T615-A618 VanDerWaalsContact O-N 3.08Å; T615-A618 WeakPolarHBondContact OG1-CB 3.3Å; T615-A618 PolarHBondContact OG1-N 3.33Å; K616-A618 VanDerWaalsContact C-N 3.3Å; K616-A618 PolarHBondContact O-N 3.42Å; A618-R621 PolarHBondContact O-N 2.95Å; A618-I622 WeakPolarHBondContact O-CG1 3.44Å; A618-I622 PolarHBondContact O-N 3.26Å
619	S	64.7	Low	54.6	Low	2 Å²	2	66.3 Å²	66.3	1%	0.014	35%	0.352	C	S	.	.	H	α-helix	trans	-55.5	-55.2	173.6	175.6	0	0	0	0	110.4	T613 T615 K616 R621 I622 A623 Y632	T613-S619 WeakPolarHBondContact OG1-CA 3.34Å; T613-S619 VanDerWaalsContact OG1-CB 3.31Å; T613-S619 WeakPolarHBondContact OG1-CB 3.43Å; T613-S619 PolarHBondContact OG1-N 3.36Å; T615-S619 PolarHBondContact O-N 2.8Å; T615-S619 VanDerWaalsContact O-N 3.1Å; K616-S619 PolarHBondContact O-N 2.88Å; S619-R621 VanDerWaalsContact C-N 3.26Å; S619-R621 PolarHBondContact O-N 3.07Å; S619-I622 PolarHBondContact O-N 3.04Å; S619-I622 VanDerWaalsContact O-N 3.09Å; S619-A623 VanDerWaalsContact O-CB 3.26Å; S619-A623 WeakPolarHBondContact O-CB 3.49Å; S619-A623 PolarHBondContact O-N 3.08Å; S619-Y632 VanDerWaalsContact OG-CB 3.28Å; S619-Y632 WeakPolarHBondContact OG-CB 3.11Å; S619-Y632 PolarHBondContact OG-O 3.13Å; S619-Y632 VanDerWaalsContact OG-O 3.04Å
620	D	76.1	Confident	55.5	Low	67 Å²	67	69.7 Å²	69.7	36%	0.358	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-33.3	-179.6	-67.3	-7.3	0	0	0	112.2	K616 R624	K616-D620 WeakPolarHBondContact O-CB 3.41Å; K616-D620 PolarHBondContact O-N 2.94Å; D620-R624 VanDerWaalsContact O-CB 3.23Å; D620-R624 WeakPolarHBondContact O-CB 3.49Å; D620-R624 WeakPolarHBondContact O-CG 3.41Å; D620-R624 PolarHBondContact O-N 3.35Å; D620-R624 VanDerWaalsContact O-N 3.07Å; D620-R624 PolarHBondContact O-NE 3.38Å
621	R	63.8	Low	55.6	Low	138 Å²	138	68.7 Å²	68.7	52%	0.521	36%	0.362	S	S	.	.	H	α-helix	trans	-66.4	-48.2	174.4	-177.8	-176.3	69.6	-154.1	-3.9	110.7	A617 A618 S619 Q625	A617-R621 WeakPolarHBondContact O-CB 3.21Å; A617-R621 PolarHBondContact O-N 2.8Å; A618-R621 PolarHBondContact O-N 2.95Å; S619-R621 VanDerWaalsContact C-N 3.26Å; S619-R621 PolarHBondContact O-N 3.07Å; R621-Q625 WeakPolarHBondContact O-CB 3.27Å; R621-Q625 VanDerWaalsContact O-CG 3.24Å; R621-Q625 WeakPolarHBondContact O-CG 3.25Å; R621-Q625 PolarHBondContact O-N 3.33Å
622	I	47	Very low	55.9	Low	46 Å²	46	64.2 Å²	64.2	24%	0.236	35%	0.345	C	S	.	.	H	α-helix	trans	-68.9	-46.8	-179.3	-61	174.5	0	0	0	109.9	T613 A618 S619 R624 Q625 C626 Y632	T613-I622 HydrophobicContact CG2-CD1 3.84Å; A618-I622 WeakPolarHBondContact O-CG1 3.44Å; A618-I622 PolarHBondContact O-N 3.26Å; S619-I622 PolarHBondContact O-N 3.04Å; S619-I622 VanDerWaalsContact O-N 3.09Å; I622-R624 VanDerWaalsContact C-N 3.33Å; I622-R624 PolarHBondContact O-N 3.02Å; I622-Q625 CarbonylContact O-C 3.59Å; I622-Q625 WeakPolarHBondContact O-CA 3.15Å; I622-Q625 PolarHBondContact O-N 3.34Å; I622-C626 VanDerWaalsContact CG2-SG 3.57Å; I622-C626 VanDerWaalsContact O-CB 3.27Å; I622-C626 WeakPolarHBondContact O-CB 3.14Å; I622-C626 PolarHBondContact O-N 2.89Å; I622-C626 PolarHBondContact O-SG 2.86Å; I622-Y632 HydrophobicContact CB-CD1 4.25Å; I622-Y632 HydrophobicContact CB-CE1 4.33Å; I622-Y632 HydrophobicContact CB-CG 4.4Å; I622-Y632 HydrophobicContact CG2-CD1 3.82Å; I622-Y632 HydrophobicContact CG2-CD2 4.09Å; I622-Y632 HydrophobicContact CG2-CE1 3.42Å; I622-Y632 VanDerWaalsContact CG2-CE1 3.42Å; I622-Y632 HydrophobicContact CG2-CE2 3.71Å; I622-Y632 HydrophobicContact CG2-CG 4.16Å
623	A	54.5	Low	56.5	Low	10 Å²	10	63.6 Å²	63.6	8%	0.083	34%	0.344	C	S	.	.	H	α-helix	trans	-53.3	-46.2	175.2	0	0	0	0	0	112.7	S619 C626 G627 C628 Y632	S619-A623 VanDerWaalsContact O-CB 3.26Å; S619-A623 WeakPolarHBondContact O-CB 3.49Å; S619-A623 PolarHBondContact O-N 3.08Å; A623-C626 PolarHBondContact O-N 3.09Å; A623-G627 PolarHBondContact O-N 2.88Å; A623-C628 PolarHBondContact O-N 3.29Å; A623-Y632 HydrophobicContact CB-CD2 4.15Å
624	R	58.9	Low	57.5	Low	190 Å²	190	62.8 Å²	62.8	72%	0.717	34%	0.339	S	S	*	.	H	α-helix	trans	-64.6	-36.3	173.3	-77.9	178	-70.9	-173.6	-5.3	113.4	D620 I622	D620-R624 VanDerWaalsContact O-CB 3.23Å; D620-R624 WeakPolarHBondContact O-CB 3.49Å; D620-R624 WeakPolarHBondContact O-CG 3.41Å; D620-R624 PolarHBondContact O-N 3.35Å; D620-R624 VanDerWaalsContact O-N 3.07Å; D620-R624 PolarHBondContact O-NE 3.38Å; I622-R624 VanDerWaalsContact C-N 3.33Å; I622-R624 PolarHBondContact O-N 3.02Å
625	Q	44.6	Very low	58.2	Low	118 Å²	118	61.1 Å²	61.1	55%	0.551	33%	0.326	S	S	*	.	H	α-helix	trans	-72.9	-35.7	177.1	-75.7	172.8	-17.9	0	0	112.2	R621 I622 A731	R621-Q625 WeakPolarHBondContact O-CB 3.27Å; R621-Q625 VanDerWaalsContact O-CG 3.24Å; R621-Q625 WeakPolarHBondContact O-CG 3.25Å; R621-Q625 PolarHBondContact O-N 3.33Å; I622-Q625 CarbonylContact O-C 3.59Å; I622-Q625 WeakPolarHBondContact O-CA 3.15Å; I622-Q625 PolarHBondContact O-N 3.34Å; Q625-A731 VanDerWaalsContact O-CB 3.23Å; Q625-A731 WeakPolarHBondContact O-CB 2.85Å
626	C	38.4	Very low	58.4	Low	31 Å²	31	65 Å²	65	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-81.3	-29.5	-176.5	-70.2	0	0	0	0	114.4	I622 A623 C628 Y632	I622-C626 VanDerWaalsContact CG2-SG 3.57Å; I622-C626 VanDerWaalsContact O-CB 3.27Å; I622-C626 WeakPolarHBondContact O-CB 3.14Å; I622-C626 PolarHBondContact O-N 2.89Å; I622-C626 PolarHBondContact O-SG 2.86Å; A623-C626 PolarHBondContact O-N 3.09Å; C626-C628 VanDerWaalsContact C-N 3.27Å; C626-C628 HydrophobicContact CB-CB 4.35Å; C626-Y632 HydrophobicContact CB-CE2 3.99Å; C626-Y632 PolarHBondContact SG-OH 3.42Å
627	G	37.6	Very low	58.4	Low	61 Å²	61	64.8 Å²	64.8	63%	0.629	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	13.2	-169.2	0	0	0	0	0	113.7	A623 P629	A623-G627 PolarHBondContact O-N 2.88Å; G627-P629 WeakPolarHBondContact O-CD 3.33Å
628	C	42.3	Very low	58.3	Low	54 Å²	54	62.9 Å²	62.9	37%	0.365	33%	0.327	S	S	.	.			trans	-117.6	80.3	-178.3	-55.4	0	0	0	0	109.2	A623 C626 D630 L631	A623-C628 PolarHBondContact O-N 3.29Å; C626-C628 VanDerWaalsContact C-N 3.27Å; C626-C628 HydrophobicContact CB-CB 4.35Å; C628-D630 VanDerWaalsContact C-N 3.26Å; C628-D630 PolarHBondContact O-N 3.29Å; C628-L631 HydrophobicContact CB-CB 3.78Å; C628-L631 HydrophobicContact CB-CD2 4.48Å; C628-L631 PolarHBondContact O-N 3.46Å
629	P	49	Very low	58.7	Low	92 Å²	92	65.5 Å²	65.5	60%	0.597	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.7	-168.6	21.7	-33	0	0	0	113.7	G627	G627-P629 WeakPolarHBondContact O-CD 3.33Å
630	D	61.1	Low	59.2	Low	110 Å²	110	72.3 Å²	72.3	59%	0.588	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-5.3	-174.4	-44.8	-59	0	0	0	113.5	R610 C628 Y632	R610-D630 VanDerWaalsContact CD-O 3.3Å; R610-D630 WeakPolarHBondContact CD-O 3.44Å; R610-D630 VanDerWaalsContact CZ-O 3.27Å; R610-D630 PolarHBondContact NE-O 3.13Å; R610-D630 VanDerWaalsContact NH1-C 3.29Å; R610-D630 PolarHBondContact NH1-O 3.46Å; C628-D630 VanDerWaalsContact C-N 3.26Å; C628-D630 PolarHBondContact O-N 3.29Å; D630-Y632 VanDerWaalsContact C-N 3.27Å; D630-Y632 PolarHBondContact O-N 2.87Å
631	L	53.3	Low	58.8	Low	65 Å²	65	72.7 Å²	72.7	34%	0.34	37%	0.373	S	S	.	.	S	Bend	trans	-78.3	-13.5	-170.9	-142.4	84.5	0	0	0	113.4	W611 C628	W611-L631 PolarHBondContact N-O 2.82Å; C628-L631 HydrophobicContact CB-CB 3.78Å; C628-L631 HydrophobicContact CB-CD2 4.48Å; C628-L631 PolarHBondContact O-N 3.46Å
632	Y	56.7	Low	58.3	Low	37 Å²	37	70.5 Å²	70.5	15%	0.145	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.5	-173.2	-62.4	-85	0	0	0	111	W611 S619 I622 A623 C626 D630	W611-Y632 HydrophobicContact CB-CD1 3.47Å; W611-Y632 VanDerWaalsContact CB-CD1 3.47Å; W611-Y632 HydrophobicContact CB-CE1 3.47Å; W611-Y632 VanDerWaalsContact CB-CE1 3.47Å; W611-Y632 HydrophobicContact CB-CG 4.42Å; W611-Y632 HydrophobicContact CG-CD1 4.34Å; W611-Y632 AromaticContact CG-CE1 3.88Å; W611-Y632 HydrophobicContact CG-CE1 3.88Å; W611-Y632 CarbonylContact O-C 3.42Å; W611-Y632 VanDerWaalsContact O-CA 3.28Å; W611-Y632 WeakPolarHBondContact O-CA 3.33Å; S619-Y632 VanDerWaalsContact OG-CB 3.28Å; S619-Y632 WeakPolarHBondContact OG-CB 3.11Å; S619-Y632 PolarHBondContact OG-O 3.13Å; S619-Y632 VanDerWaalsContact OG-O 3.04Å; I622-Y632 HydrophobicContact CB-CD1 4.25Å; I622-Y632 HydrophobicContact CB-CE1 4.33Å; I622-Y632 HydrophobicContact CB-CG 4.4Å; I622-Y632 HydrophobicContact CG2-CD1 3.82Å; I622-Y632 HydrophobicContact CG2-CD2 4.09Å; I622-Y632 HydrophobicContact CG2-CE1 3.42Å; I622-Y632 VanDerWaalsContact CG2-CE1 3.42Å; I622-Y632 HydrophobicContact CG2-CE2 3.71Å; I622-Y632 HydrophobicContact CG2-CG 4.16Å; A623-Y632 HydrophobicContact CB-CD2 4.15Å; C626-Y632 HydrophobicContact CB-CE2 3.99Å; C626-Y632 PolarHBondContact SG-OH 3.42Å; D630-Y632 VanDerWaalsContact C-N 3.27Å; D630-Y632 PolarHBondContact O-N 2.87Å
633	L	67.3	Low	58.8	Low	20 Å²	20	69.6 Å²	69.6	11%	0.105	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	160.8	175.1	-63.6	-178.2	0	0	0	108.8	K607 R610 W611 W612 T613 D638	K607-L633 HydrophobicContact CB-CD1 3.59Å; K607-L633 HydrophobicContact CD-CD1 4.14Å; K607-L633 HydrophobicContact CG-CD1 3.76Å; R610-L633 HydrophobicContact CB-CD1 3.73Å; R610-L633 HydrophobicContact CB-CG 3.82Å; R610-L633 HydrophobicContact CG-CD1 3.81Å; R610-L633 HydrophobicContact CG-CG 4.09Å; W611-L633 PolarHBondContact O-N 2.86Å; W612-L633 CarbonylContact C-O 3.53Å; W612-L633 VanDerWaalsContact CA-O 3.31Å; W612-L633 WeakPolarHBondContact CA-O 3.34Å; W612-L633 HydrophobicContact CD2-CB 3.95Å; W612-L633 HydrophobicContact CD2-CD1 4.44Å; W612-L633 HydrophobicContact CE3-CB 3.88Å; W612-L633 HydrophobicContact CH2-CB 4.39Å; W612-L633 HydrophobicContact CH2-CD1 3.81Å; W612-L633 HydrophobicContact CZ2-CB 4.44Å; W612-L633 HydrophobicContact CZ2-CD1 3.52Å; W612-L633 HydrophobicContact CZ3-CB 4.1Å; W612-L633 HydrophobicContact CZ3-CD1 4.35Å; T613-L633 PolarHBondContact N-O 3.17Å; T613-L633 PolarHBondContact OG1-O 3.2Å; L633-D638 HydrophobicContact CB-CB 3.84Å; L633-D638 HydrophobicContact CD1-CB 4.47Å; L633-D638 HydrophobicContact CD2-CB 4.02Å; L633-D638 HydrophobicContact CG-CB 4.32Å
634	A	68	Low	59.3	Low	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.6	175.8	0	0	0	0	0	111.8	T613 T615 K616 E636 T637 D638	T613-A634 CarbonylContact O-C 3.59Å; T613-A634 WeakPolarHBondContact O-CA 3.32Å; T615-A634 WeakPolarHBondContact O-CB 3.21Å; K616-A634 HydrophobicContact CB-CB 4.34Å; K616-A634 HydrophobicContact CD-CB 4.35Å; A634-E636 PolarHBondContact O-N 3.39Å; A634-T637 PolarHBondContact O-N 3.21Å; A634-T637 VanDerWaalsContact O-N 3.15Å; A634-D638 PolarHBondContact N-OD2 2.99Å; A634-D638 WeakPolarHBondContact O-CA 3.19Å; A634-D638 WeakPolarHBondContact O-CB 3.39Å; A634-D638 PolarHBondContact O-N 3.15Å
635	Y	61.8	Low	58.9	Low	58 Å²	58	61.3 Å²	61.3	23%	0.227	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.1	174.1	-63.4	-63.3	0	0	0	112.3	W612 T613 T637 L639 A648 F649	W612-Y635 HydrophobicContact CB-CD1 4.28Å; W612-Y635 HydrophobicContact CB-CD2 4.41Å; W612-Y635 HydrophobicContact CB-CE1 3.65Å; W612-Y635 HydrophobicContact CB-CE2 3.79Å; W612-Y635 HydrophobicContact CD2-CD1 4.33Å; W612-Y635 HydrophobicContact CD2-CE1 4.07Å; W612-Y635 AromaticContact CE3-CD1 3.73Å; W612-Y635 HydrophobicContact CE3-CD1 3.73Å; W612-Y635 AromaticContact CE3-CE1 3.94Å; W612-Y635 HydrophobicContact CE3-CE1 3.94Å; W612-Y635 HydrophobicContact CE3-CG 4.43Å; W612-Y635 AromaticContact CG-CE1 3.99Å; W612-Y635 HydrophobicContact CG-CE1 3.99Å; W612-Y635 HydrophobicContact CZ3-CD1 4.44Å; T613-Y635 WeakPolarHBondContact O-CD2 3.46Å; T613-Y635 PolarHBondContact O-N 3.38Å; Y635-T637 VanDerWaalsContact C-N 3.34Å; Y635-T637 PolarHBondContact O-N 3.38Å; Y635-L639 HydrophobicContact CD1-CD2 4.41Å; Y635-L639 WeakPolarHBondContact O-CB 3.48Å; Y635-A648 HydrophobicContact CE1-CB 4.25Å; Y635-F649 HydrophobicContact CD1-CE1 4.46Å; Y635-F649 HydrophobicContact CD1-CE2 4.24Å; Y635-F649 AromaticContact CD1-CZ 3.68Å; Y635-F649 HydrophobicContact CD1-CZ 3.68Å; Y635-F649 AromaticContact CE1-CE1 3.58Å; Y635-F649 HydrophobicContact CE1-CE1 3.58Å; Y635-F649 AromaticContact CE1-CE2 3.93Å; Y635-F649 HydrophobicContact CE1-CE2 3.93Å; Y635-F649 AromaticContact CE1-CZ 3.2Å; Y635-F649 HydrophobicContact CE1-CZ 3.2Å; Y635-F649 AromaticContact CZ-CE1 3.87Å; Y635-F649 AromaticContact CZ-CZ 3.91Å
636	E	66.1	Low	59.1	Low	126 Å²	126	55.9 Å²	55.9	59%	0.589	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.9	175.8	-178.6	-177.6	-144.8	0	0	114.5	D614 T615 K616 A634	D614-E636 WeakPolarHBondContact O-CB 3.43Å; D614-E636 PolarHBondContact O-N 2.74Å; T615-E636 WeakPolarHBondContact CA-OE2 3.41Å; T615-E636 VanDerWaalsContact CB-OE2 3.25Å; T615-E636 WeakPolarHBondContact CB-OE2 3.24Å; K616-E636 PolarHBondContact N-OE2 2.8Å; A634-E636 PolarHBondContact O-N 3.39Å
637	T	78.5	Confident	59.9	Low	62 Å²	62	54.7 Å²	54.7	38%	0.38	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-26.2	-168.2	54	0	0	0	0	115.6	K616 A634 Y635	K616-T637 HydrophobicContact CB-CG2 3.89Å; K616-T637 HydrophobicContact CG-CG2 4.42Å; A634-T637 PolarHBondContact O-N 3.21Å; A634-T637 VanDerWaalsContact O-N 3.15Å; Y635-T637 VanDerWaalsContact C-N 3.34Å; Y635-T637 PolarHBondContact O-N 3.38Å
638	D	74.4	Confident	60.3	Low	27 Å²	27	52.7 Å²	52.7	14%	0.144	29%	0.286	C	S	.	.	S	Bend	trans	-106	0.2	-171.7	-58.3	-83.4	0	0	0	112.2	K607 W612 K616 L633 A634	K607-D638 WeakPolarHBondContact CD-O 3.34Å; K607-D638 WeakPolarHBondContact CE-O 3.22Å; K607-D638 PolarHBondContact NZ-O 3.31Å; W612-D638 HydrophobicContact CH2-CB 4.47Å; W612-D638 WeakPolarHBondContact CH2-O 3.4Å; W612-D638 HydrophobicContact CZ3-CB 4.04Å; K616-D638 IonicContact NZ-OD1 2.91Å; K616-D638 PolarHBondContact NZ-OD1 2.87Å; K616-D638 IonicContact NZ-OD2 3.01Å; K616-D638 PolarHBondContact NZ-OD2 2.96Å; L633-D638 HydrophobicContact CB-CB 3.84Å; L633-D638 HydrophobicContact CD1-CB 4.47Å; L633-D638 HydrophobicContact CD2-CB 4.02Å; L633-D638 HydrophobicContact CG-CB 4.32Å; A634-D638 PolarHBondContact N-OD2 2.99Å; A634-D638 WeakPolarHBondContact O-CA 3.19Å; A634-D638 WeakPolarHBondContact O-CB 3.39Å; A634-D638 PolarHBondContact O-N 3.15Å
639	L	69.5	Low	60.1	Low	62 Å²	62	54.2 Å²	54.2	33%	0.325	29%	0.286	S	S	.	.			trans	-102.5	80.1	176.7	-170.2	79.9	0	0	0	110.5	W612 Y635 D644 A645 A648 F649	W612-L639 HydrophobicContact CH2-CD1 4.31Å; W612-L639 HydrophobicContact CZ3-CB 4.04Å; W612-L639 HydrophobicContact CZ3-CD1 4.16Å; Y635-L639 HydrophobicContact CD1-CD2 4.41Å; Y635-L639 WeakPolarHBondContact O-CB 3.48Å; L639-D644 HydrophobicContact CD1-CB 4.24Å; L639-A645 HydrophobicContact CD1-CB 4.12Å; L639-A648 HydrophobicContact CD1-CB 4.04Å; L639-F649 HydrophobicContact CD1-CE2 3.97Å; L639-F649 HydrophobicContact CD2-CE2 4.11Å
640	E	75.4	Confident	59.6	Low	144 Å²	144	53.6 Å²	53.6	67%	0.673	28%	0.276	S	S	*	.			trans	-97	-22.2	-167.2	-55.7	167.8	124.1	0	0	113.4	K607 D644	K607-E640 IonicContact NZ-OE2 3.25Å; K607-E640 PolarHBondContact NZ-OE2 3.39Å; E640-D644 WeakPolarHBondContact CA-OD2 3.37Å; E640-D644 WeakPolarHBondContact CB-OD2 3.25Å; E640-D644 PolarHBondContact N-OD2 3.12Å
641	N	66.2	Low	57.9	Low	76 Å²	76	53.1 Å²	53.1	41%	0.406	28%	0.278	S	S	.	.	S	Bend	trans	-159	175.6	-170.7	60.6	68.7	0	0	0	112.7	S643 D644 A645	N641-S643 VanDerWaalsContact C-N 3.34Å; N641-S643 PolarHBondContact O-N 3.13Å; N641-S643 WeakPolarHBondContact OD1-CA 3.36Å; N641-S643 VanDerWaalsContact OD1-CB 3.23Å; N641-S643 WeakPolarHBondContact OD1-CB 3.37Å; N641-S643 PolarHBondContact OD1-N 3Å; N641-D644 PolarHBondContact N-OD2 3.23Å; N641-D644 PolarHBondContact ND2-OD2 3.31Å; N641-D644 WeakPolarHBondContact O-CB 3.4Å; N641-D644 PolarHBondContact O-N 2.82Å; N641-D644 VanDerWaalsContact O-N 3.09Å; N641-D644 PolarHBondContact OD1-N 3.45Å; N641-A645 PolarHBondContact O-N 3.02Å
642	D	52.9	Low	56.5	Low	92 Å²	92	52.7 Å²	52.7	49%	0.492	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-36.1	-180	-66	-18	0	0	0	113.2	D644 A645 V646	D642-D644 VanDerWaalsContact C-N 3.27Å; D642-D644 PolarHBondContact O-N 2.83Å; D642-A645 PolarHBondContact O-N 2.88Å; D642-V646 VanDerWaalsContact O-CG2 3.23Å; D642-V646 WeakPolarHBondContact O-CG2 3.5Å; D642-V646 PolarHBondContact O-N 2.87Å
643	S	58.3	Low	55	Low	27 Å²	27	58.5 Å²	58.5	19%	0.189	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-31.9	174.6	-72.7	0	0	0	0	112.6	T601 A602 P603 T604 N641 A647	T601-S643 WeakPolarHBondContact CG2-OG 3.46Å; A602-S643 WeakPolarHBondContact O-CB 3.46Å; A602-S643 PolarHBondContact O-OG 2.86Å; P603-S643 WeakPolarHBondContact CA-O 3.22Å; T604-S643 PolarHBondContact N-O 2.99Å; T604-S643 WeakPolarHBondContact OG1-CB 3.41Å; T604-S643 PolarHBondContact OG1-O 2.76Å; N641-S643 VanDerWaalsContact C-N 3.34Å; N641-S643 PolarHBondContact O-N 3.13Å; N641-S643 WeakPolarHBondContact OD1-CA 3.36Å; N641-S643 VanDerWaalsContact OD1-CB 3.23Å; N641-S643 WeakPolarHBondContact OD1-CB 3.37Å; N641-S643 PolarHBondContact OD1-N 3Å; S643-A647 WeakPolarHBondContact O-CB 3.35Å; S643-A647 PolarHBondContact O-N 3.16Å
644	D	65.6	Low	52.9	Low	1 Å²	1	60 Å²	60	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-73.9	-39.3	173.3	-58.7	-26.7	0	0	0	111.4	T604 K607 L639 E640 N641 D642 V646 A647 A648	T604-D644 VanDerWaalsContact CB-OD1 3.23Å; T604-D644 WeakPolarHBondContact CB-OD1 3.4Å; T604-D644 PolarHBondContact OG1-N 3.4Å; T604-D644 PolarHBondContact OG1-OD1 2.99Å; K607-D644 HydrophobicContact CD-CB 4.25Å; K607-D644 VanDerWaalsContact CD-OD1 3.31Å; K607-D644 WeakPolarHBondContact CD-OD1 3.3Å; K607-D644 WeakPolarHBondContact CE-OD1 3.02Å; K607-D644 IonicContact NZ-OD1 3.74Å; K607-D644 PolarHBondContact NZ-OD1 3.3Å; K607-D644 VanDerWaalsContact NZ-OD1 3.11Å; K607-D644 IonicContact NZ-OD2 3.62Å; K607-D644 PolarHBondContact NZ-OD2 3.04Å; L639-D644 HydrophobicContact CD1-CB 4.24Å; E640-D644 WeakPolarHBondContact CA-OD2 3.37Å; E640-D644 WeakPolarHBondContact CB-OD2 3.25Å; E640-D644 PolarHBondContact N-OD2 3.12Å; N641-D644 PolarHBondContact N-OD2 3.23Å; N641-D644 PolarHBondContact ND2-OD2 3.31Å; N641-D644 WeakPolarHBondContact O-CB 3.4Å; N641-D644 PolarHBondContact O-N 2.82Å; N641-D644 VanDerWaalsContact O-N 3.09Å; N641-D644 PolarHBondContact OD1-N 3.45Å; D642-D644 VanDerWaalsContact C-N 3.27Å; D642-D644 PolarHBondContact O-N 2.83Å; D644-V646 VanDerWaalsContact C-N 3.3Å; D644-V646 PolarHBondContact O-N 3.48Å; D644-A647 CarbonylContact O-C 3.55Å; D644-A647 PolarHBondContact O-N 2.93Å; D644-A647 VanDerWaalsContact O-N 3.11Å; D644-A648 VanDerWaalsContact O-CB 3.28Å; D644-A648 WeakPolarHBondContact O-CB 3.31Å; D644-A648 PolarHBondContact O-N 3.23Å
645	A	50.5	Low	50.8	Low	24 Å²	24	67.2 Å²	67.2	20%	0.198	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-37.6	173.5	0	0	0	0	0	111.6	L639 N641 D642 A648 F649	L639-A645 HydrophobicContact CD1-CB 4.12Å; N641-A645 PolarHBondContact O-N 3.02Å; D642-A645 PolarHBondContact O-N 2.88Å; A645-A648 PolarHBondContact O-N 3.22Å; A645-F649 HydrophobicContact CB-CD2 4.27Å; A645-F649 WeakPolarHBondContact O-CA 3.4Å; A645-F649 VanDerWaalsContact O-CB 3.31Å; A645-F649 WeakPolarHBondContact O-CB 3.44Å; A645-F649 WeakPolarHBondContact O-CD2 3.29Å; A645-F649 PolarHBondContact O-N 3.4Å
646	V	48.4	Very low	49	Very low	5 Å²	5	70.3 Å²	70.3	3%	0.03	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-44.1	169.3	179.4	0	0	0	0	110.1	S599 P603 D642 D644 A648 Q650	S599-V646 WeakPolarHBondContact OG-CG2 3.3Å; P603-V646 HydrophobicContact CB-CB 4.29Å; P603-V646 HydrophobicContact CB-CG1 3.77Å; P603-V646 HydrophobicContact CG-CG1 4.3Å; D642-V646 VanDerWaalsContact O-CG2 3.23Å; D642-V646 WeakPolarHBondContact O-CG2 3.5Å; D642-V646 PolarHBondContact O-N 2.87Å; D644-V646 VanDerWaalsContact C-N 3.3Å; D644-V646 PolarHBondContact O-N 3.48Å; V646-A648 VanDerWaalsContact C-N 3.29Å; V646-A648 PolarHBondContact O-N 3.36Å; V646-Q650 HydrophobicContact CB-CB 4.41Å; V646-Q650 HydrophobicContact CG1-CB 3.7Å; V646-Q650 VanDerWaalsContact CG1-CD 3.41Å; V646-Q650 HydrophobicContact CG1-CG 4.16Å; V646-Q650 WeakPolarHBondContact O-CA 3.06Å; V646-Q650 WeakPolarHBondContact O-CB 3.48Å; V646-Q650 PolarHBondContact O-N 2.91Å
647	A	54.2	Low	46.8	Very low	5 Å²	5	69.2 Å²	69.2	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-65.1	-26.9	176.8	0	0	0	0	0	114.7	P603 K607 S643 D644	P603-A647 HydrophobicContact CB-CB 4.07Å; K607-A647 HydrophobicContact CB-CB 4.01Å; S643-A647 WeakPolarHBondContact O-CB 3.35Å; S643-A647 PolarHBondContact O-N 3.16Å; D644-A647 CarbonylContact O-C 3.55Å; D644-A647 PolarHBondContact O-N 2.93Å; D644-A647 VanDerWaalsContact O-N 3.11Å
648	A	47.5	Very low	44.2	Very low	20 Å²	20	68.7 Å²	68.7	17%	0.165	37%	0.365	C	S	.	.	H	α-helix	trans	-90.1	-42.5	-179.4	0	0	0	0	0	113.8	W612 Y635 L639 D644 A645 V646	W612-A648 HydrophobicContact CD2-CB 3.77Å; W612-A648 VanDerWaalsContact CE2-CB 3.4Å; W612-A648 HydrophobicContact CE3-CB 4.18Å; W612-A648 HydrophobicContact CG-CB 4.31Å; W612-A648 HydrophobicContact CH2-CB 3.94Å; W612-A648 HydrophobicContact CZ2-CB 3.5Å; W612-A648 HydrophobicContact CZ3-CB 4.27Å; Y635-A648 HydrophobicContact CE1-CB 4.25Å; L639-A648 HydrophobicContact CD1-CB 4.04Å; D644-A648 VanDerWaalsContact O-CB 3.28Å; D644-A648 WeakPolarHBondContact O-CB 3.31Å; D644-A648 PolarHBondContact O-N 3.23Å; A645-A648 PolarHBondContact O-N 3.22Å; V646-A648 VanDerWaalsContact C-N 3.29Å; V646-A648 PolarHBondContact O-N 3.36Å
649	F	38.2	Very low	41.8	Very low	85 Å²	85	71.7 Å²	71.7	37%	0.373	39%	0.386	S	S	.	.	H	α-helix	trans	-117.5	-18	-167.7	-58.8	-72.1	0	0	0	114.3	I596 Y635 L639 A645	I596-F649 HydrophobicContact CD1-CB 4Å; I596-F649 HydrophobicContact CD1-CG 4.3Å; I596-F649 HydrophobicContact CG2-CB 4Å; Y635-F649 HydrophobicContact CD1-CE1 4.46Å; Y635-F649 HydrophobicContact CD1-CE2 4.24Å; Y635-F649 AromaticContact CD1-CZ 3.68Å; Y635-F649 HydrophobicContact CD1-CZ 3.68Å; Y635-F649 AromaticContact CE1-CE1 3.58Å; Y635-F649 HydrophobicContact CE1-CE1 3.58Å; Y635-F649 AromaticContact CE1-CE2 3.93Å; Y635-F649 HydrophobicContact CE1-CE2 3.93Å; Y635-F649 AromaticContact CE1-CZ 3.2Å; Y635-F649 HydrophobicContact CE1-CZ 3.2Å; Y635-F649 AromaticContact CZ-CE1 3.87Å; Y635-F649 AromaticContact CZ-CZ 3.91Å; L639-F649 HydrophobicContact CD1-CE2 3.97Å; L639-F649 HydrophobicContact CD2-CE2 4.11Å; A645-F649 HydrophobicContact CB-CD2 4.27Å; A645-F649 WeakPolarHBondContact O-CA 3.4Å; A645-F649 VanDerWaalsContact O-CB 3.31Å; A645-F649 WeakPolarHBondContact O-CB 3.44Å; A645-F649 WeakPolarHBondContact O-CD2 3.29Å; A645-F649 PolarHBondContact O-N 3.4Å
650	Q	37.4	Very low	39.7	Very low	79 Å²	79	74.8 Å²	74.8	37%	0.369	40%	0.398	S	S	.	.	S	Bend	trans	-69.7	126.9	167.8	-160.8	178.2	62.9	0	0	107.3	V646 L652	V646-Q650 HydrophobicContact CB-CB 4.41Å; V646-Q650 HydrophobicContact CG1-CB 3.7Å; V646-Q650 VanDerWaalsContact CG1-CD 3.41Å; V646-Q650 HydrophobicContact CG1-CG 4.16Å; V646-Q650 WeakPolarHBondContact O-CA 3.06Å; V646-Q650 WeakPolarHBondContact O-CB 3.48Å; V646-Q650 PolarHBondContact O-N 2.91Å; Q650-L652 PolarHBondContact O-N 2.81Å
651	P	25.7	Very low	37.3	Very low	100 Å²	100	70.8 Å²	70.8	65%	0.649	38%	0.381	S	S	*	.			trans	-64.5	107.6	178	25.7	-32.9	0	0	0	108.6	L653	P651-L653 PolarHBondContact O-N 2.97Å
652	L	25	Very low	35.4	Very low	56 Å²	56	75.4 Å²	75.4	29%	0.293	39%	0.392	S	S	.	.			trans	-61.8	89.6	162.5	-88.7	156.5	0	0	0	108.3	C608 Q650 L654 F655	C608-L652 HydrophobicContact CB-CD1 3.63Å; Q650-L652 PolarHBondContact O-N 2.81Å; L652-L654 HydrophobicContact CD2-CB 4.32Å; L652-L654 HydrophobicContact CD2-CD1 4.22Å; L652-L654 PolarHBondContact O-N 3.39Å; L652-F655 PolarHBondContact O-N 3.43Å
653	L	24.3	Very low	34.1	Very low	160 Å²	160	74.8 Å²	74.8	84%	0.838	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-1.8	166	-91.8	140.7	0	0	0	113.4	P651	P651-L653 PolarHBondContact O-N 2.97Å
654	L	23	Very low	32.7	Very low	52 Å²	52	77.8 Å²	77.8	27%	0.272	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	1.3	-173.7	-63.7	163.8	0	0	0	114	L652 E874 M875	L652-L654 HydrophobicContact CD2-CB 4.32Å; L652-L654 HydrophobicContact CD2-CD1 4.22Å; L652-L654 PolarHBondContact O-N 3.39Å; L654-E874 HydrophobicContact CD2-CB 3.67Å; L654-E874 HydrophobicContact CD2-CG 4.44Å; L654-M875 HydrophobicContact CD1-CG 3.95Å; L654-M875 HydrophobicContact CD1-SD 3.92Å; L654-M875 HydrophobicContact CD2-CG 3.88Å
655	F	23.2	Very low	30.8	Very low	151 Å²	151	81.1 Å²	81.1	66%	0.662	42%	0.42	S	S	*	.	S	Bend	trans	-132.1	17.1	177.2	-78.3	-67.6	0	0	0	115.6	L652	L652-F655 PolarHBondContact O-N 3.43Å
656	R	23.8	Very low	29.7	Very low	123 Å²	123	83.7 Å²	83.7	46%	0.464	44%	0.441	S	S	.	.			trans	-109.1	45.7	165.2	-76.7	-166.5	176.3	-175.4	0.5	112.9	S658 M661	R656-S658 PolarHBondContact O-N 3.4Å; R656-M661 PolarHBondContact NH1-O 2.73Å
657	S	21.8	Very low	28.5	Very low	102 Å²	102	88.6 Å²	88.6	71%	0.713	46%	0.464	S	S	*	.			trans	-72.8	3.7	166.8	51	0	0	0	0	113.9
658	S	23	Very low	27.1	Very low	51 Å²	51	96.5 Å²	96.5	36%	0.357	49%	0.492	S	S	.	.	S	Bend	trans	-95.3	121	165.2	179.9	0	0	0	0	111.3	R656 H660	R656-S658 PolarHBondContact O-N 3.4Å; S658-H660 PolarHBondContact O-N 3.24Å; S658-H660 PolarHBondContact OG-N 2.8Å
659	P	23.4	Very low	26	Very low	90 Å²	90	97.2 Å²	97.2	58%	0.584	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-58.2	-10.9	172.9	-26.1	35.6	0	0	0	115.1
660	H	25.7	Very low	25.4	Very low	127 Å²	127	99.7 Å²	99.7	59%	0.588	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-90.6	-6.5	-169.4	-59.4	-61.2	0	0	0	115.7	S658	S658-H660 PolarHBondContact O-N 3.24Å; S658-H660 PolarHBondContact OG-N 2.8Å
661	M	26.1	Very low	25	Very low	61 Å²	61	103.2 Å²	103.2	30%	0.3	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-108.3	7.1	178.7	-60.9	-162.5	81.8	0	0	114.4	W611 R656 T663 M677	W611-M661 HydrophobicContact CH2-CE 4.49Å; R656-M661 PolarHBondContact NH1-O 2.73Å; M661-T663 PolarHBondContact O-N 3Å; M661-M677 HydrophobicContact CE-CE 4.37Å
662	R	25.8	Very low	25.1	Very low	172 Å²	172	104.8 Å²	104.8	65%	0.649	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.5	-174.3	-65.5	-176	177.5	-174.4	-2.5	115.2
663	T	25.6	Very low	25	Very low	79 Å²	79	107.9 Å²	107.9	49%	0.485	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112	15.1	-175.8	55.6	0	0	0	0	114.6	M661	M661-T663 PolarHBondContact O-N 3Å
664	W	27.8	Very low	24.9	Very low	91 Å²	91	101.6 Å²	101.6	35%	0.345	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119	-174.9	-67	74.1	0	0	0	111.5	M677	W664-M677 HydrophobicContact CD2-CE 4.13Å; W664-M677 HydrophobicContact CE3-CB 3.97Å; W664-M677 HydrophobicContact CE3-CE 3.61Å; W664-M677 HydrophobicContact CZ3-CB 3.98Å; W664-M677 HydrophobicContact CZ3-CE 4.06Å
665	T	26.4	Very low	25.1	Very low	71 Å²	71	102.7 Å²	102.7	44%	0.436	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.8	166.1	39.4	0	0	0	0	109.7	T678	T665-T678 PolarHBondContact N-O 3.35Å; T665-T678 VanDerWaalsContact N-O 3.16Å; T665-T678 PolarHBondContact O-N 3.27Å; T665-T678 VanDerWaalsContact O-O 3.12Å; T665-T678 PolarHBondContact O-OG1 2.81Å; T665-T678 PolarHBondContact OG1-O 2.9Å; T665-T678 VanDerWaalsContact OG1-O 3.1Å; T665-T678 PolarHBondContact OG1-OG1 2.66Å; T665-T678 VanDerWaalsContact OG1-OG1 3.09Å
666	A	27.1	Very low	25.2	Very low	78 Å²	78	98.2 Å²	98.2	65%	0.645	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	109	167.7	0	0	0	0	0	107.6
667	E	24.5	Very low	25.3	Very low	108 Å²	108	96.8 Å²	96.8	51%	0.505	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.9	170.9	-76.5	-168.4	147.3	0	0	109.8	T676	E667-T676 PolarHBondContact N-O 2.79Å; E667-T676 PolarHBondContact O-N 3.49Å
668	W	24	Very low	25.6	Very low	170 Å²	170	93.9 Å²	93.9	64%	0.644	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.1	165.5	-158.4	67.7	0	0	0	109.2	I670	W668-I670 HydrophobicContact CE3-CG1 4.24Å; W668-I670 HydrophobicContact CH2-CG1 4.43Å; W668-I670 HydrophobicContact CZ3-CD1 4.49Å; W668-I670 HydrophobicContact CZ3-CG1 3.73Å
669	S	25.4	Very low	25.8	Very low	35 Å²	35	96.1 Å²	96.1	25%	0.245	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	114.7	-178.1	-176.3	0	0	0	0	110.4	N671 K672 S673	S669-N671 PolarHBondContact O-N 2.78Å; S669-N671 VanDerWaalsContact O-N 3.12Å; S669-K672 PolarHBondContact O-N 2.82Å; S669-S673 PolarHBondContact O-N 2.95Å
670	I	24.5	Very low	26.1	Very low	137 Å²	137	95.9 Å²	95.9	70%	0.703	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-33.3	175.1	-65.9	170.9	0	0	0	111	W668 K672	W668-I670 HydrophobicContact CE3-CG1 4.24Å; W668-I670 HydrophobicContact CH2-CG1 4.43Å; W668-I670 HydrophobicContact CZ3-CD1 4.49Å; W668-I670 HydrophobicContact CZ3-CG1 3.73Å; I670-K672 VanDerWaalsContact C-N 3.34Å; I670-K672 PolarHBondContact O-N 2.67Å
671	N	28.1	Very low	26.2	Very low	154 Å²	154	94.6 Å²	94.6	82%	0.824	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-2	-178.6	-63.4	-9.4	0	0	0	114.4	S669	S669-N671 PolarHBondContact O-N 2.78Å; S669-N671 VanDerWaalsContact O-N 3.12Å
672	K	28.3	Very low	26	Very low	133 Å²	133	97.9 Å²	97.9	58%	0.578	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-2.9	-176.7	-64	-178.1	179.9	172.4	0	114.7	S669 I670 G674	S669-K672 PolarHBondContact O-N 2.82Å; I670-K672 VanDerWaalsContact C-N 3.34Å; I670-K672 PolarHBondContact O-N 2.67Å; K672-G674 PolarHBondContact O-N 3.35Å; K672-G674 VanDerWaalsContact O-N 3.09Å
673	S	22.6	Very low	25.9	Very low	120 Å²	120	95 Å²	95	84%	0.839	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	43.2	178.7	56.5	0	0	0	0	113.7	S669	S669-S673 PolarHBondContact O-N 2.95Å
674	G	23.2	Very low	25.8	Very low	28 Å²	28	100.4 Å²	100.4	29%	0.289	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	144.4	-173.4	0	0	0	0	0	113.4	K672	K672-G674 PolarHBondContact O-N 3.35Å; K672-G674 VanDerWaalsContact O-N 3.09Å
675	V	26	Very low	25.5	Very low	76 Å²	76	104.6 Å²	104.6	46%	0.461	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.1	123.9	170.1	179.5	0	0	0	0	108
676	T	25.6	Very low	25.3	Very low	56 Å²	56	107.2 Å²	107.2	34%	0.344	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.9	113.3	174.4	-35.2	0	0	0	0	108.8	E667 T678	E667-T676 PolarHBondContact N-O 2.79Å; E667-T676 PolarHBondContact O-N 3.49Å; T676-T678 HydrophobicContact CG2-CG2 3.93Å; T676-T678 PolarHBondContact O-N 3.4Å
677	M	26.8	Very low	25	Very low	94 Å²	94	112.8 Å²	112.8	46%	0.463	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.4	97.6	166.7	-73	-168	79.9	0	0	108.2	M661 W664	M661-M677 HydrophobicContact CE-CE 4.37Å; W664-M677 HydrophobicContact CD2-CE 4.13Å; W664-M677 HydrophobicContact CE3-CB 3.97Å; W664-M677 HydrophobicContact CE3-CE 3.61Å; W664-M677 HydrophobicContact CZ3-CB 3.98Å; W664-M677 HydrophobicContact CZ3-CE 4.06Å
678	T	28.3	Very low	24.7	Very low	40 Å²	40	114.6 Å²	114.6	25%	0.245	60%	0.597	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.2	123.8	176.9	43.6	0	0	0	0	109.8	T665 T676	T665-T678 PolarHBondContact N-O 3.35Å; T665-T678 VanDerWaalsContact N-O 3.16Å; T665-T678 PolarHBondContact O-N 3.27Å; T665-T678 VanDerWaalsContact O-O 3.12Å; T665-T678 PolarHBondContact O-OG1 2.81Å; T665-T678 PolarHBondContact OG1-O 2.9Å; T665-T678 VanDerWaalsContact OG1-O 3.1Å; T665-T678 PolarHBondContact OG1-OG1 2.66Å; T665-T678 VanDerWaalsContact OG1-OG1 3.09Å; T676-T678 HydrophobicContact CG2-CG2 3.93Å; T676-T678 PolarHBondContact O-N 3.4Å
679	H	27.7	Very low	24.6	Very low	98 Å²	98	115 Å²	115	45%	0.454	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.6	138.6	158.4	-174.3	-95.7	0	0	0	107.6	D681	H679-D681 PolarHBondContact ND1-O 3.33Å; H679-D681 PolarHBondContact O-N 3.36Å; H679-D681 VanDerWaalsContact O-N 3.12Å
680	V	28.5	Very low	24.4	Very low	86 Å²	86	119.1 Å²	119.1	52%	0.521	63%	0.629	S	S	.	*	S	Bend	trans	-65.3	115.1	169.9	-177.9	0	0	0	0	107.1
681	D	27.4	Very low	24.3	Very low	100 Å²	100	118.9 Å²	118.9	54%	0.535	63%	0.63	S	S	.	*	S	Bend	trans	72.5	112.1	-163.4	-60.6	-58.2	0	0	0	116	R407 H679	R407-D681 IonicContact CZ-OD1 3.92Å; R407-D681 VanDerWaalsContact CZ-OD1 3.26Å; R407-D681 IonicContact NH1-OD1 2.74Å; R407-D681 PolarHBondContact NH1-OD1 2.84Å; R407-D681 IonicContact NH2-OD1 2.62Å; R407-D681 PolarHBondContact NH2-OD1 2.98Å; H679-D681 PolarHBondContact ND1-O 3.33Å; H679-D681 PolarHBondContact O-N 3.36Å; H679-D681 VanDerWaalsContact O-N 3.12Å
682	D	23.4	Very low	23.9	Very low	129 Å²	129	116.4 Å²	116.4	69%	0.69	62%	0.623	S	S	*	*			trans	-125	135.8	165.8	-156.8	3.4	0	0	0	110.2
683	V	22.9	Very low	23.7	Very low	113 Å²	113	114.6 Å²	114.6	69%	0.685	62%	0.62	S	S	*	*			trans	57.4	116.7	170.5	-146.9	0	0	0	0	117
684	K	23.5	Very low	23.8	Very low	191 Å²	191	112.3 Å²	112.3	83%	0.83	60%	0.604	S	S	*	*				-140.2	144.2	54	-81.3	175.7	176.7	173.8	0	114.6
685	R	21.2	Very low	23.8	Very low	180 Å²	180	111.8 Å²	111.8	68%	0.679	60%	0.595	S	S	*	*			trans	-73.6	147.2	177.6	-61.9	167.1	171.4	169.3	-8.1	112.7	Y719	R685-Y719 PolarHBondContact NH2-OH 3.08Å
686	S	21.6	Very low	23.8	Very low	125 Å²	125	113.4 Å²	113.4	87%	0.874	60%	0.601	S	S	*	*			trans	-112.2	141.7	146.7	-74.5	0	0	0	0	108.7
687	Q	21.1	Very low	23.6	Very low	195 Å²	195	117.2 Å²	117.2	91%	0.911	62%	0.619	S	S	*	*			trans	-70.7	150.9	-168.2	-74.4	174.7	-34.8	0	0	113.6
688	M	19	Very low	23.3	Very low	147 Å²	147	118.6 Å²	118.6	72%	0.724	63%	0.628	S	S	*	*			trans	-55.5	135.6	163.9	-76	166.1	50.8	0	0	110.9	L690	M688-L690 HydrophobicContact CE-CD1 3.71Å; M688-L690 HydrophobicContact CE-CG 4.28Å
689	L	21.5	Very low	22.9	Very low	177 Å²	177	124 Å²	124	93%	0.927	65%	0.645	S	S	*	*			trans	-130.1	123.1	145.6	-101	164.3	0	0	0	108.3
690	L	21.1	Very low	22.7	Very low	123 Å²	123	125.2 Å²	125.2	64%	0.644	65%	0.654	S	S	*	*			trans	-79	149.9	-179.8	-74.9	121.2	0	0	0	111.3	M688	M688-L690 HydrophobicContact CE-CD1 3.71Å; M688-L690 HydrophobicContact CE-CG 4.28Å
691	N	22	Very low	22.4	Very low	132 Å²	132	127.5 Å²	127.5	71%	0.706	66%	0.655	S	S	*	*			trans	144.3	98.7	148	-72.1	-12.1	0	0	0	105.4
692	C	20.6	Very low	22.2	Very low	102 Å²	102	126.7 Å²	126.7	69%	0.689	66%	0.656	S	S	*	*				49.5	103.7	85.1	-61.2	0	0	0	0	108.3
693	D	23	Very low	22.1	Very low	95 Å²	95	123.1 Å²	123.1	51%	0.508	64%	0.639	S	S	.	*				-149.4	160.9	79	-82.8	-7.8	0	0	0	112	S36 L37	S36-D693 PolarHBondContact OG-OD2 3.16Å; L37-D693 CarbonylContact C-O 3.47Å; L37-D693 VanDerWaalsContact CB-C 3.43Å; L37-D693 HydrophobicContact CB-CB 3.52Å; L37-D693 HydrophobicContact CD2-CB 3.29Å; L37-D693 HydrophobicContact CG-CB 3.44Å; L37-D693 VanDerWaalsContact CG-CB 3.44Å; L37-D693 CarbonylContact O-C 3.51Å
694	S	26.2	Very low	22.1	Very low	72 Å²	72	127.6 Å²	127.6	50%	0.503	64%	0.644	S	S	.	*			trans	-132.6	138.2	-178	68.4	0	0	0	0	122.6	L34 L37	L34-S694 WeakPolarHBondContact CD2-O 3.46Å; L37-S694 VanDerWaalsContact CA-N 3.29Å; L37-S694 WeakPolarHBondContact CB-O 3.5Å; L37-S694 WeakPolarHBondContact CD1-O 3.28Å; L37-S694 VanDerWaalsContact CG-N 3.32Å; L37-S694 CarbonylContact O-C 3.57Å; L37-S694 VanDerWaalsContact O-C 3.24Å; L37-S694 WeakPolarHBondContact O-CA 3.27Å; L37-S694 PolarHBondContact O-N 3.42Å
695	P	23	Very low	22.1	Very low	17 Å²	17	120.8 Å²	120.8	11%	0.11	62%	0.618	C	S	.	*			trans	-141	-173.2	153.1	48.9	-46.9	0	0	0	119.5	L34 L37 W38	L34-P695 VanDerWaalsContact CA-CB 3.5Å; L34-P695 HydrophobicContact CB-CB 3.21Å; L34-P695 HydrophobicContact CB-CG 4.12Å; L34-P695 HydrophobicContact CD1-CB 3.96Å; L34-P695 HydrophobicContact CD2-CB 3.29Å; L34-P695 HydrophobicContact CG-CB 3.56Å; L34-P695 WeakPolarHBondContact O-CB 3.41Å; L34-P695 WeakPolarHBondContact O-CD 3.47Å; L34-P695 WeakPolarHBondContact O-CG 3.32Å; L37-P695 WeakPolarHBondContact O-CD 2.92Å; W38-P695 HydrophobicContact CB-CG 3.74Å; W38-P695 HydrophobicContact CD2-CG 3.92Å; W38-P695 VanDerWaalsContact CG-CD 3.47Å; W38-P695 HydrophobicContact CG-CG 3.58Å
696	D	24.6	Very low	22.2	Very low	110 Å²	110	116 Å²	116	59%	0.588	63%	0.625	S	S	*	*			trans	60.6	50.5	172.8	-64.1	-6.6	0	0	0	111.3	W38 L698	W38-D696 HydrophobicContact CZ2-CB 4.38Å; D696-L698 PolarHBondContact O-N 2.91Å; D696-L698 VanDerWaalsContact O-N 3.08Å
697	L	22.5	Very low	22.3	Very low	135 Å²	135	115.4 Å²	115.4	71%	0.707	61%	0.607	S	S	*	*			trans	-52.1	101.4	157.5	-75.6	140.9	0	0	0	110.4
698	L	20.6	Very low	22.4	Very low	124 Å²	124	109.6 Å²	109.6	65%	0.649	58%	0.58	S	S	*	*			trans	-174.4	141.6	149.1	-99.5	151.6	0	0	0	108.6	D696	D696-L698 PolarHBondContact O-N 2.91Å; D696-L698 VanDerWaalsContact O-N 3.08Å
699	Y	20.6	Very low	22.7	Very low	154 Å²	154	109.9 Å²	109.9	60%	0.604	58%	0.583	S	S	*	*	S	Bend	trans	70.2	85.6	-175.6	-53.3	-96.9	0	0	0	115.7
700	D	23.1	Very low	22.9	Very low	122 Å²	122	105.4 Å²	105.4	65%	0.652	56%	0.557	S	S	*	*				172	120.4	125.5	-88.1	-17.6	0	0	0	109.3	S702	D700-S702 PolarHBondContact O-N 3.27Å
701	Y	21.3	Very low	23.1	Very low	135 Å²	135	107.2 Å²	107.2	53%	0.529	56%	0.555	S	S	.	*			trans	-75	58.7	176.4	-103.4	-72.5	0	0	0	111.1	V703 G920 T924 F955	Y701-V703 PolarHBondContact O-N 2.91Å; Y701-G920 PolarHBondContact OH-O 2.68Å; Y701-T924 HydrophobicContact CE2-CG2 3.73Å; Y701-F955 HydrophobicContact CE1-CB 4.46Å
702	S	23	Very low	23.4	Very low	82 Å²	82	103.8 Å²	103.8	57%	0.573	54%	0.539	S	S	*	.			trans	-92.2	87.7	174.4	64.4	0	0	0	0	110.6	D700 R704	D700-S702 PolarHBondContact O-N 3.27Å; S702-R704 PolarHBondContact O-N 2.99Å
703	V	21.8	Very low	23.6	Very low	54 Å²	54	99.1 Å²	99.1	33%	0.327	51%	0.509	S	S	.	.			trans	-75.1	75.3	162.4	-169.1	0	0	0	0	108.7	Y701 T705 R954	Y701-V703 PolarHBondContact O-N 2.91Å; V703-T705 PolarHBondContact O-N 3.13Å; V703-R954 HydrophobicContact CG1-CB 4.13Å; V703-R954 HydrophobicContact CG1-CG 3.92Å; V703-R954 HydrophobicContact CG2-CB 3.75Å; V703-R954 HydrophobicContact CG2-CG 4.36Å
704	R	22.6	Very low	23.8	Very low	208 Å²	208	99 Å²	99	79%	0.785	51%	0.508	S	S	*	.			trans	-41	135.2	146.1	-72.3	178.1	166.1	-176.3	-4.9	106.9	S702	S702-R704 PolarHBondContact O-N 2.99Å
705	T	24.4	Very low	23.8	Very low	48 Å²	48	99.6 Å²	99.6	29%	0.294	52%	0.517	S	S	.	.				168.3	106	116.7	40.6	0	0	0	0	112	V703 F707 H708	V703-T705 PolarHBondContact O-N 3.13Å; T705-F707 HydrophobicContact CG2-CB 3.6Å; T705-F707 HydrophobicContact CG2-CD2 3.67Å; T705-F707 HydrophobicContact CG2-CG 3.93Å; T705-F707 PolarHBondContact O-N 3.29Å; T705-H708 PolarHBondContact OG1-CD2 2.98Å; T705-H708 PolarHBondContact OG1-NE2 3.06Å
706	G	22.2	Very low	24	Very low	79 Å²	79	102.9 Å²	102.9	81%	0.814	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	30.8	143.5	0	0	0	0	0	112.5
707	F	23.3	Very low	24	Very low	113 Å²	113	99.9 Å²	99.9	50%	0.496	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-11	-176.2	-64.9	-108.1	0	0	0	112.5	T705 R711	T705-F707 HydrophobicContact CG2-CB 3.6Å; T705-F707 HydrophobicContact CG2-CD2 3.67Å; T705-F707 HydrophobicContact CG2-CG 3.93Å; T705-F707 PolarHBondContact O-N 3.29Å; F707-R711 HydrophobicContact CB-CG 4.41Å; F707-R711 WeakPolarHBondContact O-CB 3.4Å; F707-R711 VanDerWaalsContact O-CG 3.25Å; F707-R711 WeakPolarHBondContact O-CG 3.42Å; F707-R711 PolarHBondContact O-N 3.16Å
708	H	24.2	Very low	24.1	Very low	73 Å²	73	97 Å²	97	34%	0.338	51%	0.51	S	S	.	.	H	α-helix	trans	-68	-56.4	173.6	-77.1	-67.8	0	0	0	111	T705 H710 R711 V712 Q957	T705-H708 PolarHBondContact OG1-CD2 2.98Å; T705-H708 PolarHBondContact OG1-NE2 3.06Å; H708-H710 PolarHBondContact O-N 3.49Å; H708-R711 PolarHBondContact O-N 3.35Å; H708-R711 VanDerWaalsContact O-N 3.13Å; H708-V712 HydrophobicContact CB-CG2 4.48Å; H708-V712 WeakPolarHBondContact O-CA 3.08Å; H708-V712 WeakPolarHBondContact O-CB 3.39Å; H708-V712 WeakPolarHBondContact O-CG2 3.5Å; H708-V712 PolarHBondContact O-N 2.88Å; H708-Q957 PolarHBondContact NE2-OE1 3.03Å
709	L	25.5	Very low	24.3	Very low	152 Å²	152	96.8 Å²	96.8	80%	0.796	50%	0.502	S	S	*	.	H	α-helix	trans	-60.9	-19.7	177.1	-95.7	158.5	0	0	0	115	G713	L709-G713 WeakPolarHBondContact O-CA 3.34Å; L709-G713 PolarHBondContact O-N 2.99Å
710	H	25.6	Very low	24.6	Very low	83 Å²	83	94.9 Å²	94.9	38%	0.384	50%	0.496	S	S	.	.	H	α-helix	trans	-92.2	-27.2	176	-142.9	-55	0	0	0	113.8	H708 N714 Y719	H708-H710 PolarHBondContact O-N 3.49Å; H710-N714 VanDerWaalsContact O-CG 3.29Å; H710-N714 PolarHBondContact O-N 3.41Å; H710-N714 PolarHBondContact O-OD1 3.47Å; H710-Y719 AromaticContact CE1-CE2 3.15Å; H710-Y719 WeakPolarHBondContact CE1-CE2 3.35Å; H710-Y719 AromaticContact CE1-CZ 3.6Å; H710-Y719 AromaticContact ND1-CE2 3.58Å; H710-Y719 AromaticContact NE2-CE2 3.77Å; H710-Y719 AromaticContact NE2-CZ 3.87Å; H710-Y719 PolarHBondContact NE2-OH 3.08Å
711	R	25.4	Very low	24.7	Very low	161 Å²	161	93.2 Å²	93.2	61%	0.608	50%	0.499	S	S	*	.	H	α-helix	trans	-90.4	-33.7	173	-69	177.6	172.6	179.6	-3.3	112.7	F707 H708 G713 N714 A715	F707-R711 HydrophobicContact CB-CG 4.41Å; F707-R711 WeakPolarHBondContact O-CB 3.4Å; F707-R711 VanDerWaalsContact O-CG 3.25Å; F707-R711 WeakPolarHBondContact O-CG 3.42Å; F707-R711 PolarHBondContact O-N 3.16Å; H708-R711 PolarHBondContact O-N 3.35Å; H708-R711 VanDerWaalsContact O-N 3.13Å; R711-G713 VanDerWaalsContact C-N 3.29Å; R711-N714 PolarHBondContact O-N 3.36Å; R711-A715 WeakPolarHBondContact O-CB 3.45Å; R711-A715 PolarHBondContact O-N 3.05Å
712	V	27.3	Very low	24.8	Very low	60 Å²	60	94.8 Å²	94.8	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-68.9	-32.9	161	179.3	0	0	0	0	108.9	H708 A715 L716	H708-V712 HydrophobicContact CB-CG2 4.48Å; H708-V712 WeakPolarHBondContact O-CA 3.08Å; H708-V712 WeakPolarHBondContact O-CB 3.39Å; H708-V712 WeakPolarHBondContact O-CG2 3.5Å; H708-V712 PolarHBondContact O-N 2.88Å; V712-A715 PolarHBondContact O-N 3.04Å; V712-L716 HydrophobicContact CG1-CD1 3.38Å; V712-L716 HydrophobicContact CG1-CG 3.78Å; V712-L716 WeakPolarHBondContact O-CB 3.34Å; V712-L716 VanDerWaalsContact O-CG 3.25Å; V712-L716 WeakPolarHBondContact O-CG 3.34Å; V712-L716 PolarHBondContact O-N 2.78Å
713	G	26.4	Very low	24.9	Very low	5 Å²	5	95 Å²	95	5%	0.052	53%	0.532	C	S	.	.	H	α-helix	trans	-56.3	-51.6	164.7	0	0	0	0	0	112.7	L709 R711 G717 F718	L709-G713 WeakPolarHBondContact O-CA 3.34Å; L709-G713 PolarHBondContact O-N 2.99Å; R711-G713 VanDerWaalsContact C-N 3.29Å; G713-G717 PolarHBondContact O-N 2.82Å; G713-F718 PolarHBondContact O-N 3.06Å
714	N	27.2	Very low	25	Very low	93 Å²	93	100.4 Å²	100.4	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-68.2	-35	175.2	-73.6	-8.7	0	0	0	113.5	H710 R711 Y719	H710-N714 VanDerWaalsContact O-CG 3.29Å; H710-N714 PolarHBondContact O-N 3.41Å; H710-N714 PolarHBondContact O-OD1 3.47Å; R711-N714 PolarHBondContact O-N 3.36Å; N714-Y719 WeakPolarHBondContact OD1-CD2 3.32Å
715	A	26.1	Very low	25.1	Very low	84 Å²	84	98.6 Å²	98.6	69%	0.694	55%	0.553	S	S	*	*	H	α-helix	trans	-83.7	-21.5	-177.3	0	0	0	0	0	114.1	R711 V712	R711-A715 WeakPolarHBondContact O-CB 3.45Å; R711-A715 PolarHBondContact O-N 3.05Å; V712-A715 PolarHBondContact O-N 3.04Å
716	L	25.8	Very low	25.1	Very low	86 Å²	86	98.5 Å²	98.5	45%	0.45	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.2	11.1	170.9	-60.7	179.5	0	0	0	112.4	V712 F718 L729	V712-L716 HydrophobicContact CG1-CD1 3.38Å; V712-L716 HydrophobicContact CG1-CG 3.78Å; V712-L716 WeakPolarHBondContact O-CB 3.34Å; V712-L716 VanDerWaalsContact O-CG 3.25Å; V712-L716 WeakPolarHBondContact O-CG 3.34Å; V712-L716 PolarHBondContact O-N 2.78Å; L716-F718 VanDerWaalsContact C-N 3.34Å; L716-F718 HydrophobicContact CB-CD2 3.63Å; L716-F718 HydrophobicContact CB-CE2 3.46Å; L716-F718 VanDerWaalsContact CB-CE2 3.46Å; L716-F718 HydrophobicContact CB-CZ 4.37Å; L716-F718 HydrophobicContact CD1-CD2 4.47Å; L716-F718 HydrophobicContact CD1-CE2 3.74Å; L716-F718 HydrophobicContact CG-CE2 4.26Å; L716-F718 PolarHBondContact O-N 2.57Å; L716-L729 HydrophobicContact CD2-CD1 4.43Å
717	G	24.5	Very low	25.2	Very low	46 Å²	46	100.6 Å²	100.6	47%	0.474	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	15	172.1	0	0	0	0	0	116	G713 Y719	G713-G717 PolarHBondContact O-N 2.82Å; G717-Y719 PolarHBondContact O-N 3.38Å; G717-Y719 VanDerWaalsContact O-N 3.13Å
718	F	25.7	Very low	25.2	Very low	75 Å²	75	102.6 Å²	102.6	33%	0.329	56%	0.555	S	S	.	*			trans	-72.8	-0.1	-176.4	-68.8	-61.3	0	0	0	114.9	G713 L716 P726 F728	G713-F718 PolarHBondContact O-N 3.06Å; L716-F718 VanDerWaalsContact C-N 3.34Å; L716-F718 HydrophobicContact CB-CD2 3.63Å; L716-F718 HydrophobicContact CB-CE2 3.46Å; L716-F718 VanDerWaalsContact CB-CE2 3.46Å; L716-F718 HydrophobicContact CB-CZ 4.37Å; L716-F718 HydrophobicContact CD1-CD2 4.47Å; L716-F718 HydrophobicContact CD1-CE2 3.74Å; L716-F718 HydrophobicContact CG-CE2 4.26Å; L716-F718 PolarHBondContact O-N 2.57Å; F718-P726 HydrophobicContact CD1-CB 4.38Å; F718-F728 HydrophobicContact CE1-CD1 4.23Å
719	Y	25.4	Very low	25.3	Very low	120 Å²	120	102.8 Å²	102.8	47%	0.471	56%	0.558	S	S	.	*			trans	-116.6	93.4	172.5	-87.2	-66.2	0	0	0	112.2	R685 H710 N714 G717	R685-Y719 PolarHBondContact NH2-OH 3.08Å; H710-Y719 AromaticContact CE1-CE2 3.15Å; H710-Y719 WeakPolarHBondContact CE1-CE2 3.35Å; H710-Y719 AromaticContact CE1-CZ 3.6Å; H710-Y719 AromaticContact ND1-CE2 3.58Å; H710-Y719 AromaticContact NE2-CE2 3.77Å; H710-Y719 AromaticContact NE2-CZ 3.87Å; H710-Y719 PolarHBondContact NE2-OH 3.08Å; N714-Y719 WeakPolarHBondContact OD1-CD2 3.32Å; G717-Y719 PolarHBondContact O-N 3.38Å; G717-Y719 VanDerWaalsContact O-N 3.13Å
720	K	26.5	Very low	25.4	Very low	114 Å²	114	99.6 Å²	99.6	50%	0.496	54%	0.542	S	S	.	.			trans	-94.3	147.1	155.5	-75.7	175	179.7	170.3	0	108.9	D727	K720-D727 IonicContact NZ-OD2 3.57Å; K720-D727 PolarHBondContact NZ-OD2 3.07Å
721	A	24.9	Very low	25.4	Very low	86 Å²	86	96.6 Å²	96.6	71%	0.711	53%	0.531	S	S	*	.	S	Bend	trans	-64	153.1	177.7	0	0	0	0	0	112.1
722	D	24.2	Very low	25.5	Very low	168 Å²	168	97.9 Å²	97.9	90%	0.898	54%	0.536	S	S	*	.	S	Bend	trans	-9.9	114.6	179.3	-58.2	-29.6	0	0	0	117
723	G	24.4	Very low	25.6	Very low	86 Å²	86	99.8 Å²	99.8	89%	0.887	54%	0.541	S	S	*	.	S	Bend	trans	96	12.3	161.2	0	0	0	0	0	117.9
724	K	24.2	Very low	25.7	Very low	169 Å²	169	103.7 Å²	103.7	74%	0.735	56%	0.56	S	S	*	*			trans	-123.4	138	172.9	-67.4	-175.4	-179.8	178.9	0	112.3
725	M	24	Very low	25.7	Very low	169 Å²	169	102 Å²	102	83%	0.833	56%	0.555	S	S	*	*			trans	-59.5	137.8	174.8	-106.5	-175	166.9	0	0	110.9
726	P	24.5	Very low	25.8	Very low	46 Å²	46	102 Å²	102	30%	0.299	54%	0.543	S	S	.	.			trans	-72.6	134.8	168.4	28.8	-31.2	0	0	0	110.3	F718 F728	F718-P726 HydrophobicContact CD1-CB 4.38Å; P726-F728 HydrophobicContact CG-CE2 4.18Å; P726-F728 WeakPolarHBondContact O-CD2 3.44Å; P726-F728 PolarHBondContact O-N 3.44Å; P726-F728 VanDerWaalsContact O-N 3.13Å
727	D	23.4	Very low	26	Very low	123 Å²	123	102.2 Å²	102.2	66%	0.658	54%	0.541	S	S	*	.			trans	-73.4	100.5	173.7	-58.4	-72.1	0	0	0	108.7	K720 L729	K720-D727 IonicContact NZ-OD2 3.57Å; K720-D727 PolarHBondContact NZ-OD2 3.07Å; D727-L729 PolarHBondContact O-N 3.03Å
728	F	24.4	Very low	26.2	Very low	156 Å²	156	103.9 Å²	103.9	68%	0.684	54%	0.542	S	S	*	.			trans	-64.9	130.2	175.4	-75.7	-92.4	0	0	0	110.4	F718 P726 N730	F718-F728 HydrophobicContact CE1-CD1 4.23Å; P726-F728 HydrophobicContact CG-CE2 4.18Å; P726-F728 WeakPolarHBondContact O-CD2 3.44Å; P726-F728 PolarHBondContact O-N 3.44Å; P726-F728 VanDerWaalsContact O-N 3.13Å; F728-N730 PolarHBondContact O-N 3.08Å
729	L	27	Very low	26.2	Very low	77 Å²	77	109.6 Å²	109.6	40%	0.403	56%	0.561	S	S	.	*			trans	-50.1	115.1	156.7	-74.7	170.1	0	0	0	107.3	L716 D727 I734	L716-L729 HydrophobicContact CD2-CD1 4.43Å; D727-L729 PolarHBondContact O-N 3.03Å; L729-I734 HydrophobicContact CB-CG1 4.45Å
730	N	26.5	Very low	26.3	Very low	85 Å²	85	110 Å²	110	46%	0.455	57%	0.567	S	S	.	*			trans	-67.1	151.9	-178	66.4	37.7	0	0	0	108.9	F728 R732 Q733 I734	F728-N730 PolarHBondContact O-N 3.08Å; N730-R732 PolarHBondContact O-N 3.05Å; N730-R732 WeakPolarHBondContact OD1-CA 3.34Å; N730-R732 VanDerWaalsContact OD1-CB 3.28Å; N730-R732 WeakPolarHBondContact OD1-CB 3.25Å; N730-R732 PolarHBondContact OD1-N 2.91Å; N730-Q733 WeakPolarHBondContact O-CA 3.21Å; N730-Q733 WeakPolarHBondContact O-CB 3.34Å; N730-Q733 PolarHBondContact O-N 2.86Å; N730-Q733 WeakPolarHBondContact OD1-CG 3.38Å; N730-Q733 PolarHBondContact OD1-N 2.88Å; N730-I734 PolarHBondContact O-N 3.37Å
731	A	25.2	Very low	26.3	Very low	20 Å²	20	105.8 Å²	105.8	17%	0.165	55%	0.551	C	S	.	*	H	α-helix	trans	-72.3	-1.8	-178	0	0	0	0	0	113.6	Q625 S735	Q625-A731 VanDerWaalsContact O-CB 3.23Å; Q625-A731 WeakPolarHBondContact O-CB 2.85Å; A731-S735 WeakPolarHBondContact O-CB 3.39Å; A731-S735 PolarHBondContact O-N 2.82Å; A731-S735 PolarHBondContact O-OG 3.11Å
732	R	27.3	Very low	26.2	Very low	187 Å²	187	104.6 Å²	104.6	71%	0.706	54%	0.541	S	S	*	.	H	α-helix	trans	-68	-39.1	160.3	-174.2	-177.3	-178.8	-178.9	1.1	111.3	N730 S735 L736	N730-R732 PolarHBondContact O-N 3.05Å; N730-R732 WeakPolarHBondContact OD1-CA 3.34Å; N730-R732 VanDerWaalsContact OD1-CB 3.28Å; N730-R732 WeakPolarHBondContact OD1-CB 3.25Å; N730-R732 PolarHBondContact OD1-N 2.91Å; R732-S735 PolarHBondContact O-OG 3.44Å; R732-L736 HydrophobicContact CG-CD1 4.12Å; R732-L736 WeakPolarHBondContact O-CB 3.19Å; R732-L736 WeakPolarHBondContact O-CD1 3.36Å; R732-L736 WeakPolarHBondContact O-CG 3.27Å; R732-L736 PolarHBondContact O-N 2.85Å
733	Q	31.5	Very low	26.2	Very low	100 Å²	100	100.6 Å²	100.6	47%	0.467	53%	0.527	S	S	.	.	H	α-helix	trans	-69.7	-41.4	172.4	-70.2	167.8	-51.7	0	0	111.7	N730 F737	N730-Q733 WeakPolarHBondContact O-CA 3.21Å; N730-Q733 WeakPolarHBondContact O-CB 3.34Å; N730-Q733 PolarHBondContact O-N 2.86Å; N730-Q733 WeakPolarHBondContact OD1-CG 3.38Å; N730-Q733 PolarHBondContact OD1-N 2.88Å; Q733-F737 WeakPolarHBondContact O-CB 3.49Å; Q733-F737 PolarHBondContact O-N 2.85Å
734	I	28.2	Very low	26.3	Very low	87 Å²	87	101.4 Å²	101.4	45%	0.446	51%	0.51	S	S	.	.	H	α-helix	trans	-67.2	-41.3	177.3	-58.3	175.9	0	0	0	111.3	L729 N730 F737 V738	L729-I734 HydrophobicContact CB-CG1 4.45Å; N730-I734 PolarHBondContact O-N 3.37Å; I734-F737 PolarHBondContact O-N 2.89Å; I734-V738 WeakPolarHBondContact O-CG2 3.31Å; I734-V738 PolarHBondContact O-N 2.98Å
735	S	25.7	Very low	26.3	Very low	58 Å²	58	96.9 Å²	96.9	41%	0.406	50%	0.496	S	S	.	.	H	α-helix	trans	-73.9	-36	176.4	60.4	0	0	0	0	113	A731 R732 F737 V738 R739	A731-S735 WeakPolarHBondContact O-CB 3.39Å; A731-S735 PolarHBondContact O-N 2.82Å; A731-S735 PolarHBondContact O-OG 3.11Å; R732-S735 PolarHBondContact O-OG 3.44Å; S735-F737 VanDerWaalsContact C-N 3.3Å; S735-F737 PolarHBondContact O-N 3.43Å; S735-V738 PolarHBondContact O-N 3.25Å; S735-R739 WeakPolarHBondContact O-CB 3.39Å; S735-R739 PolarHBondContact O-N 2.93Å
736	L	29.4	Very low	26.2	Very low	84 Å²	84	90.5 Å²	90.5	44%	0.44	47%	0.474	S	S	.	.	H	α-helix	trans	-59.4	-43.8	170.3	-82.2	166.9	0	0	0	110.9	R732 R739 Q740	R732-L736 HydrophobicContact CG-CD1 4.12Å; R732-L736 WeakPolarHBondContact O-CB 3.19Å; R732-L736 WeakPolarHBondContact O-CD1 3.36Å; R732-L736 WeakPolarHBondContact O-CG 3.27Å; R732-L736 PolarHBondContact O-N 2.85Å; L736-R739 PolarHBondContact O-N 3.26Å; L736-Q740 VanDerWaalsContact O-CB 3.27Å; L736-Q740 WeakPolarHBondContact O-CB 3.26Å; L736-Q740 VanDerWaalsContact O-CG 3.23Å; L736-Q740 WeakPolarHBondContact O-CG 3.3Å; L736-Q740 PolarHBondContact O-N 2.77Å
737	F	30.3	Very low	26.1	Very low	91 Å²	91	89.8 Å²	89.8	40%	0.399	47%	0.474	S	S	.	.	H	α-helix	trans	-59.9	-60.5	173.6	-175.6	-118.9	0	0	0	110.7	Q733 I734 S735 R739 Q740 V741 I950	Q733-F737 WeakPolarHBondContact O-CB 3.49Å; Q733-F737 PolarHBondContact O-N 2.85Å; I734-F737 PolarHBondContact O-N 2.89Å; S735-F737 VanDerWaalsContact C-N 3.3Å; S735-F737 PolarHBondContact O-N 3.43Å; F737-R739 PolarHBondContact O-N 3.43Å; F737-R739 VanDerWaalsContact O-N 3.08Å; F737-Q740 PolarHBondContact O-N 3.43Å; F737-Q740 VanDerWaalsContact O-N 3.17Å; F737-V741 HydrophobicContact CD2-CG2 4.19Å; F737-V741 HydrophobicContact CE2-CG2 4.2Å; F737-V741 HydrophobicContact CG-CG2 4.36Å; F737-V741 HydrophobicContact CZ-CG2 4.4Å; F737-V741 WeakPolarHBondContact O-CB 3.49Å; F737-V741 WeakPolarHBondContact O-CG2 3.33Å; F737-V741 PolarHBondContact O-N 2.84Å; F737-I950 HydrophobicContact CD1-CD1 4.23Å; F737-I950 HydrophobicContact CE1-CD1 3.54Å; F737-I950 HydrophobicContact CE1-CG1 3.58Å; F737-I950 HydrophobicContact CZ-CD1 4.15Å; F737-I950 HydrophobicContact CZ-CG1 3.8Å
738	V	27.1	Very low	26.3	Very low	81 Å²	81	86.8 Å²	86.8	49%	0.491	46%	0.458	S	S	.	.	H	α-helix	trans	-55.2	-32.9	179.5	171.9	0	0	0	0	113.2	I734 S735 V741 A742	I734-V738 WeakPolarHBondContact O-CG2 3.31Å; I734-V738 PolarHBondContact O-N 2.98Å; S735-V738 PolarHBondContact O-N 3.25Å; V738-V741 WeakPolarHBondContact O-CB 3.29Å; V738-A742 WeakPolarHBondContact O-CB 3.3Å; V738-A742 PolarHBondContact O-N 3.05Å
739	R	26.2	Very low	26.3	Very low	195 Å²	195	86.5 Å²	86.5	74%	0.736	46%	0.457	S	S	*	.	H	α-helix	trans	-79.8	-41.2	179.6	-162.2	173.8	-168.6	173.7	2.5	112.7	S735 L736 F737 V741 A742 S743	S735-R739 WeakPolarHBondContact O-CB 3.39Å; S735-R739 PolarHBondContact O-N 2.93Å; L736-R739 PolarHBondContact O-N 3.26Å; F737-R739 PolarHBondContact O-N 3.43Å; F737-R739 VanDerWaalsContact O-N 3.08Å; R739-V741 VanDerWaalsContact C-N 3.28Å; R739-V741 PolarHBondContact O-N 3.39Å; R739-A742 PolarHBondContact O-N 3.25Å; R739-S743 WeakPolarHBondContact O-CB 3.14Å; R739-S743 PolarHBondContact O-N 3.14Å; R739-S743 PolarHBondContact O-OG 2.82Å
740	Q	27.1	Very low	26.2	Very low	128 Å²	128	89.5 Å²	89.5	60%	0.598	47%	0.469	S	S	*	.	H	α-helix	trans	-60.8	-41.4	169.7	-76.8	172.2	-22.3	0	0	110.6	L736 F737 S743 L744	L736-Q740 VanDerWaalsContact O-CB 3.27Å; L736-Q740 WeakPolarHBondContact O-CB 3.26Å; L736-Q740 VanDerWaalsContact O-CG 3.23Å; L736-Q740 WeakPolarHBondContact O-CG 3.3Å; L736-Q740 PolarHBondContact O-N 2.77Å; F737-Q740 PolarHBondContact O-N 3.43Å; F737-Q740 VanDerWaalsContact O-N 3.17Å; Q740-S743 PolarHBondContact O-N 2.8Å; Q740-L744 VanDerWaalsContact O-CB 3.26Å; Q740-L744 WeakPolarHBondContact O-CB 3.41Å; Q740-L744 PolarHBondContact O-N 3.23Å
741	V	27.3	Very low	26.1	Very low	25 Å²	25	89.7 Å²	89.7	15%	0.152	47%	0.473	C	S	.	.	H	α-helix	trans	-59.2	-49.6	174.7	154.9	0	0	0	0	112	F737 V738 R739 L744 V745 H948 I950	F737-V741 HydrophobicContact CD2-CG2 4.19Å; F737-V741 HydrophobicContact CE2-CG2 4.2Å; F737-V741 HydrophobicContact CG-CG2 4.36Å; F737-V741 HydrophobicContact CZ-CG2 4.4Å; F737-V741 WeakPolarHBondContact O-CB 3.49Å; F737-V741 WeakPolarHBondContact O-CG2 3.33Å; F737-V741 PolarHBondContact O-N 2.84Å; V738-V741 WeakPolarHBondContact O-CB 3.29Å; R739-V741 VanDerWaalsContact C-N 3.28Å; R739-V741 PolarHBondContact O-N 3.39Å; V741-L744 PolarHBondContact O-N 3.13Å; V741-V745 WeakPolarHBondContact O-CG2 3.46Å; V741-V745 PolarHBondContact O-N 2.95Å; V741-H948 WeakPolarHBondContact CG1-CE1 3.26Å; V741-H948 VanDerWaalsContact CG1-NE2 3.25Å; V741-H948 WeakPolarHBondContact CG1-NE2 3.41Å; V741-H948 WeakPolarHBondContact CG2-CE1 3.37Å; V741-H948 VanDerWaalsContact CG2-NE2 3.26Å; V741-H948 WeakPolarHBondContact CG2-NE2 3.42Å; V741-I950 HydrophobicContact CG1-CD1 4.38Å; V741-I950 HydrophobicContact CG2-CD1 4.43Å
742	A	23.6	Very low	26.1	Very low	62 Å²	62	93.6 Å²	93.6	51%	0.512	49%	0.486	S	S	.	.	H	α-helix	trans	-65.7	-39.9	176.5	0	0	0	0	0	112.4	V738 R739 G746	V738-A742 WeakPolarHBondContact O-CB 3.3Å; V738-A742 PolarHBondContact O-N 3.05Å; R739-A742 PolarHBondContact O-N 3.25Å; A742-G746 PolarHBondContact O-N 3.08Å
743	S	24.2	Very low	26	Very low	84 Å²	84	89.4 Å²	89.4	59%	0.587	48%	0.482	S	S	*	.	H	α-helix	trans	-66.2	-35.9	173.6	-70.9	0	0	0	0	113.1	R739 Q740 G747	R739-S743 WeakPolarHBondContact O-CB 3.14Å; R739-S743 PolarHBondContact O-N 3.14Å; R739-S743 PolarHBondContact O-OG 2.82Å; Q740-S743 PolarHBondContact O-N 2.8Å; S743-G747 PolarHBondContact O-N 2.76Å
744	L	25.2	Very low	25.6	Very low	103 Å²	103	91.9 Å²	91.9	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-70.2	-42.5	177.4	-153.7	83.8	0	0	0	110.7	Q740 V741 L748	Q740-L744 VanDerWaalsContact O-CB 3.26Å; Q740-L744 WeakPolarHBondContact O-CB 3.41Å; Q740-L744 PolarHBondContact O-N 3.23Å; V741-L744 PolarHBondContact O-N 3.13Å; L744-L748 HydrophobicContact CD2-CD1 4.36Å; L744-L748 HydrophobicContact CG-CD1 4.07Å; L744-L748 WeakPolarHBondContact O-CB 3.47Å; L744-L748 WeakPolarHBondContact O-CD1 3.39Å; L744-L748 PolarHBondContact O-N 3.06Å
745	V	25.1	Very low	25.4	Very low	74 Å²	74	92.4 Å²	92.4	45%	0.448	50%	0.501	S	S	.	.	H	α-helix	trans	-66.6	-39.8	175.6	171.6	0	0	0	0	111.4	V741 F749	V741-V745 WeakPolarHBondContact O-CG2 3.46Å; V741-V745 PolarHBondContact O-N 2.95Å; V745-F749 WeakPolarHBondContact O-CB 3.25Å; V745-F749 PolarHBondContact O-N 3.13Å
746	G	22	Very low	25.4	Very low	35 Å²	35	98.4 Å²	98.4	36%	0.361	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-50.2	173.3	0	0	0	0	0	112.8	A742 L748 F749 E750	A742-G746 PolarHBondContact O-N 3.08Å; G746-L748 PolarHBondContact O-N 3.11Å; G746-F749 WeakPolarHBondContact O-CB 3Å; G746-F749 PolarHBondContact O-N 2.88Å; G746-F749 VanDerWaalsContact O-N 3.08Å; G746-E750 PolarHBondContact O-N 3.25Å
747	G	22	Very low	25.2	Very low	30 Å²	30	97.9 Å²	97.9	31%	0.309	54%	0.537	S	S	.	.	H	α-helix	trans	-65.9	-34	178.6	0	0	0	0	0	113.7	S743 F749 E750 V751	S743-G747 PolarHBondContact O-N 2.76Å; G747-F749 VanDerWaalsContact C-N 3.34Å; G747-E750 PolarHBondContact O-N 3.47Å; G747-V751 WeakPolarHBondContact O-CG2 3.49Å; G747-V751 PolarHBondContact O-N 2.76Å
748	L	26.3	Very low	24.9	Very low	60 Å²	60	102.3 Å²	102.3	31%	0.314	56%	0.556	S	S	.	*	H	α-helix	trans	-68.1	-32.6	170.6	-99.1	128.4	0	0	0	112.2	L744 G746 V751 F752 V946	L744-L748 HydrophobicContact CD2-CD1 4.36Å; L744-L748 HydrophobicContact CG-CD1 4.07Å; L744-L748 WeakPolarHBondContact O-CB 3.47Å; L744-L748 WeakPolarHBondContact O-CD1 3.39Å; L744-L748 PolarHBondContact O-N 3.06Å; G746-L748 PolarHBondContact O-N 3.11Å; L748-V751 PolarHBondContact O-N 2.95Å; L748-F752 WeakPolarHBondContact O-CB 3.17Å; L748-F752 PolarHBondContact O-N 3.5Å; L748-V946 HydrophobicContact CD2-CB 4.21Å; L748-V946 HydrophobicContact CD2-CG2 3.65Å
749	F	25	Very low	24.9	Very low	151 Å²	151	102.7 Å²	102.7	66%	0.662	56%	0.556	S	S	*	*	H	α-helix	trans	-69.5	-35.7	174.6	-126.7	-97.5	0	0	0	112.4	V745 G746 G747 T753	V745-F749 WeakPolarHBondContact O-CB 3.25Å; V745-F749 PolarHBondContact O-N 3.13Å; G746-F749 WeakPolarHBondContact O-CB 3Å; G746-F749 PolarHBondContact O-N 2.88Å; G746-F749 VanDerWaalsContact O-N 3.08Å; G747-F749 VanDerWaalsContact C-N 3.34Å; F749-T753 WeakPolarHBondContact O-CG2 3.04Å; F749-T753 PolarHBondContact O-N 2.73Å; F749-T753 VanDerWaalsContact O-N 3.13Å; F749-T753 PolarHBondContact O-OG1 2.89Å
750	E	24.3	Very low	24.8	Very low	140 Å²	140	96.8 Å²	96.8	65%	0.654	55%	0.548	S	S	*	.	H	α-helix	trans	-66.7	-44.4	172.2	-70.5	-178	152.5	0	0	111.1	G746 G747 F752 T753 E754	G746-E750 PolarHBondContact O-N 3.25Å; G747-E750 PolarHBondContact O-N 3.47Å; E750-F752 PolarHBondContact O-N 3.35Å; E750-T753 WeakPolarHBondContact CA-OG1 3.47Å; E750-T753 PolarHBondContact O-N 3.48Å; E750-T753 PolarHBondContact O-OG1 3.49Å; E750-E754 PolarHBondContact O-N 2.8Å
751	V	25.2	Very low	24.7	Very low	89 Å²	89	95.6 Å²	95.6	54%	0.539	55%	0.55	S	S	.	*	H	α-helix	trans	-67.2	-32.9	175.8	173.9	0	0	0	0	112.7	G747 L748 T753 T755	G747-V751 WeakPolarHBondContact O-CG2 3.49Å; G747-V751 PolarHBondContact O-N 2.76Å; L748-V751 PolarHBondContact O-N 2.95Å; V751-T753 VanDerWaalsContact C-N 3.31Å; V751-T753 PolarHBondContact O-N 3.26Å; V751-T755 PolarHBondContact O-OG1 2.89Å; V751-T755 VanDerWaalsContact O-OG1 3.12Å
752	F	25	Very low	24.7	Very low	102 Å²	102	98 Å²	98	45%	0.447	56%	0.56	S	S	.	*	H	α-helix	trans	-73	-19.8	174	-111.8	-89	0	0	0	114.3	L748 E750 F943 G944	L748-F752 WeakPolarHBondContact O-CB 3.17Å; L748-F752 PolarHBondContact O-N 3.5Å; E750-F752 PolarHBondContact O-N 3.35Å; F752-F943 WeakPolarHBondContact CE1-O 3.03Å; F752-F943 WeakPolarHBondContact CZ-O 3.49Å; F752-G944 WeakPolarHBondContact CE2-O 3.38Å
753	T	24.6	Very low	24.9	Very low	99 Å²	99	99.4 Å²	99.4	61%	0.607	56%	0.563	S	S	*	*	H	α-helix	trans	-92.5	-18.9	177.9	44.1	0	0	0	0	113.1	F749 E750 V751	F749-T753 WeakPolarHBondContact O-CG2 3.04Å; F749-T753 PolarHBondContact O-N 2.73Å; F749-T753 VanDerWaalsContact O-N 3.13Å; F749-T753 PolarHBondContact O-OG1 2.89Å; E750-T753 WeakPolarHBondContact CA-OG1 3.47Å; E750-T753 PolarHBondContact O-N 3.48Å; E750-T753 PolarHBondContact O-OG1 3.49Å; V751-T753 VanDerWaalsContact C-N 3.31Å; V751-T753 PolarHBondContact O-N 3.26Å
754	E	23.7	Very low	25	Very low	151 Å²	151	101.4 Å²	101.4	71%	0.706	56%	0.564	S	S	*	*	H	α-helix	trans	-80	-17.1	170.7	-74	-164.4	132.4	0	0	114.7	E750 H756	E750-E754 PolarHBondContact O-N 2.8Å; E754-H756 PolarHBondContact O-N 2.88Å
755	T	24.4	Very low	25	Very low	99 Å²	99	98.1 Å²	98.1	61%	0.607	56%	0.555	S	S	*	*	S	Bend	trans	-95.4	94.9	-175.7	38.7	0	0	0	0	113.2	V751	V751-T755 PolarHBondContact O-OG1 2.89Å; V751-T755 VanDerWaalsContact O-OG1 3.12Å
756	H	25.1	Very low	25.2	Very low	183 Å²	183	99 Å²	99	85%	0.847	56%	0.557	S	S	*	*			trans	-63.5	132.3	-170.1	-55.7	-59.8	0	0	0	117.2	E754	E754-H756 PolarHBondContact O-N 2.88Å
757	G	25.2	Very low	25.5	Very low	73 Å²	73	105.3 Å²	105.3	75%	0.753	57%	0.571	S	S	*	*			trans	96.2	123.9	136.7	0	0	0	0	0	118.5	N759	G757-N759 PolarHBondContact O-N 3.12Å
758	F	25.2	Very low	25.8	Very low	185 Å²	185	107 Å²	107	81%	0.811	58%	0.578	S	S	*	*			trans	-63.1	121.4	167.9	-89.8	-94.7	0	0	0	111.2	A760 F943	F758-A760 PolarHBondContact O-N 2.8Å; F758-F943 HydrophobicContact CE1-CE1 4.36Å
759	N	25.3	Very low	25.9	Very low	89 Å²	89	109 Å²	109	48%	0.476	59%	0.585	S	S	.	*			trans	-74.5	120.1	-177.1	-175	-17.9	0	0	0	111.6	G757 T761 M762 V763	G757-N759 PolarHBondContact O-N 3.12Å; N759-T761 PolarHBondContact O-N 2.82Å; N759-T761 VanDerWaalsContact O-N 3.09Å; N759-T761 VanDerWaalsContact OD1-CB 3.29Å; N759-T761 WeakPolarHBondContact OD1-CB 3.41Å; N759-T761 PolarHBondContact OD1-N 2.56Å; N759-T761 PolarHBondContact OD1-OG1 3.04Å; N759-T761 VanDerWaalsContact OD1-OG1 3.06Å; N759-M762 PolarHBondContact O-N 3.23Å; N759-V763 PolarHBondContact O-N 2.97Å
760	A	24.5	Very low	26	Very low	70 Å²	70	105.1 Å²	105.1	58%	0.579	57%	0.574	S	S	*	*	H	α-helix	trans	-55.7	-26.9	177.7	0	0	0	0	0	113.5	F758 M762 V763 M764	F758-A760 PolarHBondContact O-N 2.8Å; A760-M762 VanDerWaalsContact C-N 3.34Å; A760-M762 PolarHBondContact O-N 2.77Å; A760-V763 PolarHBondContact O-N 3.4Å; A760-M764 WeakPolarHBondContact O-CB 3.41Å; A760-M764 PolarHBondContact O-N 3.26Å
761	T	25.2	Very low	26.1	Very low	104 Å²	104	101.6 Å²	101.6	64%	0.638	57%	0.569	S	S	*	*	H	α-helix	trans	-69.7	-28	175.5	-43.5	0	0	0	0	112.6	N759 G765	N759-T761 PolarHBondContact O-N 2.82Å; N759-T761 VanDerWaalsContact O-N 3.09Å; N759-T761 VanDerWaalsContact OD1-CB 3.29Å; N759-T761 WeakPolarHBondContact OD1-CB 3.41Å; N759-T761 PolarHBondContact OD1-N 2.56Å; N759-T761 PolarHBondContact OD1-OG1 3.04Å; N759-T761 VanDerWaalsContact OD1-OG1 3.06Å; T761-G765 PolarHBondContact O-N 2.62Å
762	M	28	Very low	26.1	Very low	74 Å²	74	102.4 Å²	102.4	37%	0.365	57%	0.57	S	S	.	*	H	α-helix	trans	-74.9	-32.5	171.3	-77.9	177.4	61.1	0	0	111.8	N759 A760 L766 F943	N759-M762 PolarHBondContact O-N 3.23Å; A760-M762 VanDerWaalsContact C-N 3.34Å; A760-M762 PolarHBondContact O-N 2.77Å; M762-L766 PolarHBondContact O-N 3.34Å; M762-F943 HydrophobicContact CE-CZ 4.24Å
763	V	27.2	Very low	26.2	Very low	93 Å²	93	104.9 Å²	104.9	56%	0.564	58%	0.583	S	S	*	*	H	α-helix	trans	-70.7	-44.2	173.9	-177.7	0	0	0	0	111	N759 A760 G765 L766 Y767	N759-V763 PolarHBondContact O-N 2.97Å; A760-V763 PolarHBondContact O-N 3.4Å; V763-G765 VanDerWaalsContact C-N 3.34Å; V763-L766 WeakPolarHBondContact O-CB 3.42Å; V763-L766 PolarHBondContact O-N 3.47Å; V763-Y767 WeakPolarHBondContact O-CB 3.17Å; V763-Y767 PolarHBondContact O-N 2.86Å
764	M	26.5	Very low	26.3	Very low	126 Å²	126	108.2 Å²	108.2	62%	0.621	59%	0.594	S	S	*	*	H	α-helix	trans	-66	-33.5	172.3	-78.8	-69.8	-68.6	0	0	112.8	A760 Y767 S768	A760-M764 WeakPolarHBondContact O-CB 3.41Å; A760-M764 PolarHBondContact O-N 3.26Å; M764-Y767 PolarHBondContact O-N 3.09Å; M764-S768 WeakPolarHBondContact O-CB 3.38Å; M764-S768 PolarHBondContact O-N 3.27Å
765	G	26.1	Very low	26.7	Very low	34 Å²	34	102.5 Å²	102.5	35%	0.351	57%	0.569	S	S	.	*	H	α-helix	trans	-62.6	-46.4	170.7	0	0	0	0	0	111.7	T761 V763 Y767 S768 E769	T761-G765 PolarHBondContact O-N 2.62Å; V763-G765 VanDerWaalsContact C-N 3.34Å; G765-Y767 VanDerWaalsContact C-N 3.33Å; G765-Y767 PolarHBondContact O-N 3.36Å; G765-S768 PolarHBondContact O-N 2.86Å; G765-E769 VanDerWaalsContact O-CG 3.3Å; G765-E769 WeakPolarHBondContact O-CG 3.37Å; G765-E769 PolarHBondContact O-N 3.39Å
766	L	29.4	Very low	26.9	Very low	91 Å²	91	99.3 Å²	99.3	48%	0.476	55%	0.55	S	S	.	.	H	α-helix	trans	-57.4	-46	170	-117.1	85.4	0	0	0	111.3	M762 V763 S768 E769 V770	M762-L766 PolarHBondContact O-N 3.34Å; V763-L766 WeakPolarHBondContact O-CB 3.42Å; V763-L766 PolarHBondContact O-N 3.47Å; L766-S768 VanDerWaalsContact C-N 3.34Å; L766-S768 PolarHBondContact O-N 3.31Å; L766-E769 WeakPolarHBondContact O-CB 3.11Å; L766-E769 PolarHBondContact O-N 2.74Å; L766-E769 VanDerWaalsContact O-N 3.13Å; L766-V770 WeakPolarHBondContact O-CG2 3.49Å; L766-V770 PolarHBondContact O-N 2.93Å
767	Y	27.7	Very low	27.2	Very low	169 Å²	169	94.7 Å²	94.7	66%	0.663	53%	0.527	S	S	*	.	H	α-helix	trans	-61.8	-39.9	-179.5	-161.8	-93.3	0	0	0	112.5	V763 M764 G765 V770 A771	V763-Y767 WeakPolarHBondContact O-CB 3.17Å; V763-Y767 PolarHBondContact O-N 2.86Å; M764-Y767 PolarHBondContact O-N 3.09Å; G765-Y767 VanDerWaalsContact C-N 3.33Å; G765-Y767 PolarHBondContact O-N 3.36Å; Y767-V770 PolarHBondContact O-N 3.22Å; Y767-A771 VanDerWaalsContact O-CB 3.24Å; Y767-A771 WeakPolarHBondContact O-CB 3.29Å; Y767-A771 PolarHBondContact O-N 3.38Å
768	S	27.9	Very low	27.4	Very low	64 Å²	64	93.4 Å²	93.4	45%	0.448	51%	0.505	S	S	.	.	H	α-helix	trans	-66.3	-34.5	173.8	-176.2	0	0	0	0	112.7	M764 G765 L766 N772	M764-S768 WeakPolarHBondContact O-CB 3.38Å; M764-S768 PolarHBondContact O-N 3.27Å; G765-S768 PolarHBondContact O-N 2.86Å; L766-S768 VanDerWaalsContact C-N 3.34Å; L766-S768 PolarHBondContact O-N 3.31Å; S768-N772 WeakPolarHBondContact O-CB 2.89Å; S768-N772 PolarHBondContact O-N 2.98Å; S768-N772 PolarHBondContact O-ND2 3.41Å; S768-N772 PolarHBondContact OG-ND2 3.1Å
769	E	28.5	Very low	27.5	Very low	103 Å²	103	86.2 Å²	86.2	48%	0.481	48%	0.475	S	S	.	.	H	α-helix	trans	-72.9	-43.7	174.6	-71.1	-77.8	176.1	0	0	111.1	G765 L766 A771 T775	G765-E769 VanDerWaalsContact O-CG 3.3Å; G765-E769 WeakPolarHBondContact O-CG 3.37Å; G765-E769 PolarHBondContact O-N 3.39Å; L766-E769 WeakPolarHBondContact O-CB 3.11Å; L766-E769 PolarHBondContact O-N 2.74Å; L766-E769 VanDerWaalsContact O-N 3.13Å; E769-A771 VanDerWaalsContact C-N 3.3Å; E769-A771 PolarHBondContact O-N 2.87Å; E769-T775 WeakPolarHBondContact CB-OG1 3.14Å; E769-T775 PolarHBondContact O-OG1 3.19Å; E769-T775 VanDerWaalsContact O-OG1 3.05Å; E769-T775 VanDerWaalsContact OE2-CB 3.3Å; E769-T775 WeakPolarHBondContact OE2-CB 3.36Å; E769-T775 WeakPolarHBondContact OE2-CG2 3.45Å; E769-T775 PolarHBondContact OE2-OG1 2.78Å
770	V	26.8	Very low	27.8	Very low	70 Å²	70	83.8 Å²	83.8	42%	0.424	46%	0.462	S	S	.	.	H	α-helix	trans	-56.8	-42.1	173.8	175.9	0	0	0	0	111.4	L766 Y767 L779	L766-V770 WeakPolarHBondContact O-CG2 3.49Å; L766-V770 PolarHBondContact O-N 2.93Å; Y767-V770 PolarHBondContact O-N 3.22Å; V770-L779 HydrophobicContact CB-CD1 4.23Å; V770-L779 HydrophobicContact CG2-CD1 3.36Å
771	A	25.8	Very low	28	Very low	65 Å²	65	80.9 Å²	80.9	54%	0.537	44%	0.438	S	S	.	.	H	α-helix	trans	-83.8	-24.4	-171.8	0	0	0	0	0	114.9	Y767 E769 E773	Y767-A771 VanDerWaalsContact O-CB 3.24Å; Y767-A771 WeakPolarHBondContact O-CB 3.29Å; Y767-A771 PolarHBondContact O-N 3.38Å; E769-A771 VanDerWaalsContact C-N 3.3Å; E769-A771 PolarHBondContact O-N 2.87Å; A771-E773 PolarHBondContact O-N 3.15Å
772	N	25.8	Very low	28.1	Very low	106 Å²	106	80.5 Å²	80.5	57%	0.567	43%	0.432	S	S	*	.	S	Bend	trans	-98.9	30.3	-173	-72.4	-61.9	0	0	0	114.4	S768 M774	S768-N772 WeakPolarHBondContact O-CB 2.89Å; S768-N772 PolarHBondContact O-N 2.98Å; S768-N772 PolarHBondContact O-ND2 3.41Å; S768-N772 PolarHBondContact OG-ND2 3.1Å; N772-M774 PolarHBondContact O-N 3.21Å
773	E	27.5	Very low	28.2	Very low	155 Å²	155	83 Å²	83	72%	0.724	44%	0.437	S	S	*	.	S	Bend	trans	60.4	-27.9	168.2	-56.7	-167.4	140.4	0	0	119	A771 T776	A771-E773 PolarHBondContact O-N 3.15Å; E773-T776 WeakPolarHBondContact O-CG2 3.5Å; E773-T776 PolarHBondContact O-OG1 2.79Å
774	M	26.6	Very low	28.4	Very low	169 Å²	169	81.1 Å²	81.1	83%	0.833	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-21.1	-169.3	-72.2	-160.6	-84.3	0	0	115.4	N772	N772-M774 PolarHBondContact O-N 3.21Å
775	T	32.4	Very low	28.4	Very low	30 Å²	30	76.1 Å²	76.1	18%	0.184	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	27.8	-177.6	39.8	0	0	0	0	113.8	E769 K777 T778 L779	E769-T775 WeakPolarHBondContact CB-OG1 3.14Å; E769-T775 PolarHBondContact O-OG1 3.19Å; E769-T775 VanDerWaalsContact O-OG1 3.05Å; E769-T775 VanDerWaalsContact OE2-CB 3.3Å; E769-T775 WeakPolarHBondContact OE2-CB 3.36Å; E769-T775 WeakPolarHBondContact OE2-CG2 3.45Å; E769-T775 PolarHBondContact OE2-OG1 2.78Å; T775-K777 CarbonylContact O-C 3.54Å; T775-K777 VanDerWaalsContact O-CA 3.31Å; T775-K777 WeakPolarHBondContact O-CA 3.35Å; T775-T778 PolarHBondContact O-N 2.94Å; T775-T778 VanDerWaalsContact O-N 3.08Å; T775-L779 PolarHBondContact O-N 2.76Å
776	T	29.1	Very low	28.5	Very low	33 Å²	33	78.5 Å²	78.5	20%	0.202	41%	0.408	C	S	.	.	H	α-helix	trans	-59.6	-48.7	171.8	43.4	0	0	0	0	117.2	E773 D780 R797	E773-T776 WeakPolarHBondContact O-CG2 3.5Å; E773-T776 PolarHBondContact O-OG1 2.79Å; T776-D780 PolarHBondContact O-N 3.01Å; T776-R797 VanDerWaalsContact CG2-NH1 3.35Å
777	K	30.2	Very low	28.3	Very low	86 Å²	86	77.1 Å²	77.1	37%	0.374	40%	0.399	S	S	.	.	H	α-helix		71.1	-141.3	79.3	-12.3	-172.2	159.6	-174.6	0	111.1	T775 L779 D780 G781 Y926 S929	T775-K777 CarbonylContact O-C 3.54Å; T775-K777 VanDerWaalsContact O-CA 3.31Å; T775-K777 WeakPolarHBondContact O-CA 3.35Å; K777-L779 PolarHBondContact O-N 2.64Å; K777-L779 VanDerWaalsContact O-N 3.08Å; K777-D780 PolarHBondContact O-N 2.78Å; K777-G781 PolarHBondContact O-N 3.03Å; K777-Y926 VanDerWaalsContact C-CE1 3.49Å; K777-Y926 VanDerWaalsContact C-CZ 3.41Å; K777-Y926 HydrophobicContact CB-CD1 4.02Å; K777-Y926 HydrophobicContact CB-CE1 3.27Å; K777-Y926 HydrophobicContact CD-CE1 3.74Å; K777-Y926 HydrophobicContact CG-CD1 4.49Å; K777-Y926 HydrophobicContact CG-CE1 3.43Å; K777-Y926 VanDerWaalsContact CG-CE1 3.43Å; K777-Y926 PolarHBondContact N-OH 3.48Å; K777-Y926 WeakPolarHBondContact O-CE1 3.33Å; K777-Y926 WeakPolarHBondContact O-CE2 3.49Å; K777-Y926 PolarHBondContact O-OH 3.41Å; K777-Y926 VanDerWaalsContact O-OH 3.07Å; K777-S929 PolarHBondContact NZ-OG 3.21Å
778	T	29	Very low	28.3	Very low	46 Å²	46	71 Å²	71	28%	0.282	39%	0.387	S	S	.	.	H	α-helix	trans	-46.1	-32.4	171.1	-38.2	0	0	0	0	115.3	T775 G781 L782	T775-T778 PolarHBondContact O-N 2.94Å; T775-T778 VanDerWaalsContact O-N 3.08Å; T778-G781 CarbonylContact O-C 3.56Å; T778-G781 WeakPolarHBondContact O-CA 3.45Å; T778-G781 PolarHBondContact O-N 3.17Å; T778-L782 PolarHBondContact O-N 3.38Å; T778-L782 VanDerWaalsContact O-N 3.17Å
779	L	28.6	Very low	28.3	Very low	34 Å²	34	72.4 Å²	72.4	18%	0.178	39%	0.386	C	S	.	.	H	α-helix	trans	-77.4	-44.9	-176.7	-90.4	147.3	0	0	0	114.1	V770 T775 K777 G781 L782 W783	V770-L779 HydrophobicContact CB-CD1 4.23Å; V770-L779 HydrophobicContact CG2-CD1 3.36Å; T775-L779 PolarHBondContact O-N 2.76Å; K777-L779 PolarHBondContact O-N 2.64Å; K777-L779 VanDerWaalsContact O-N 3.08Å; L779-G781 PolarHBondContact O-N 3.31Å; L779-L782 WeakPolarHBondContact O-CA 3.24Å; L779-L782 WeakPolarHBondContact O-CB 3.26Å; L779-L782 PolarHBondContact O-N 2.81Å; L779-W783 PolarHBondContact O-N 2.9Å
780	D	31.5	Very low	28.1	Very low	38 Å²	38	71.9 Å²	71.9	20%	0.203	39%	0.386	C	S	.	.	H	α-helix	trans	-54.6	-38.4	167.7	-69.7	-23.8	0	0	0	109.3	T776 K777 L782 W783 I784 Y926	T776-D780 PolarHBondContact O-N 3.01Å; K777-D780 PolarHBondContact O-N 2.78Å; D780-L782 PolarHBondContact O-N 3.4Å; D780-W783 PolarHBondContact O-N 2.72Å; D780-I784 HydrophobicContact CB-CD1 4.24Å; D780-I784 VanDerWaalsContact O-CD1 3.28Å; D780-I784 WeakPolarHBondContact O-CD1 3.42Å; D780-I784 WeakPolarHBondContact O-CG1 3.46Å; D780-I784 PolarHBondContact O-N 3.13Å; D780-Y926 HydrophobicContact CB-CE2 4.31Å
781	G	27.8	Very low	27.9	Very low	9 Å²	9	74.6 Å²	74.6	9%	0.093	41%	0.408	C	S	.	.	H	α-helix	trans	-63.5	-15.1	172.8	0	0	0	0	0	116.8	K777 T778 L779 P785 Y922 Y926	K777-G781 PolarHBondContact O-N 3.03Å; T778-G781 CarbonylContact O-C 3.56Å; T778-G781 WeakPolarHBondContact O-CA 3.45Å; T778-G781 PolarHBondContact O-N 3.17Å; L779-G781 PolarHBondContact O-N 3.31Å; G781-P785 WeakPolarHBondContact O-CD 3.31Å; G781-P785 VanDerWaalsContact O-CG 3.3Å; G781-P785 WeakPolarHBondContact O-CG 3.3Å; G781-Y922 VanDerWaalsContact O-CD1 3.28Å; G781-Y922 WeakPolarHBondContact O-CD1 3.43Å; G781-Y926 VanDerWaalsContact CA-CD2 3.44Å
782	L	27	Very low	27.8	Very low	96 Å²	96	75.3 Å²	75.3	50%	0.503	42%	0.422	S	S	.	.	H	α-helix	trans	-99.9	-29.5	175.2	-79	160.8	0	0	0	112.5	T778 L779 D780 P785 T786	T778-L782 PolarHBondContact O-N 3.38Å; T778-L782 VanDerWaalsContact O-N 3.17Å; L779-L782 WeakPolarHBondContact O-CA 3.24Å; L779-L782 WeakPolarHBondContact O-CB 3.26Å; L779-L782 PolarHBondContact O-N 2.81Å; D780-L782 PolarHBondContact O-N 3.4Å; L782-P785 WeakPolarHBondContact O-CG 3.4Å; L782-T786 PolarHBondContact O-OG1 3.22Å
783	W	30	Very low	27.7	Very low	125 Å²	125	76.7 Å²	76.7	47%	0.473	42%	0.419	S	S	.	.	H	α-helix	trans	-88.6	-36.9	-178.7	-72.1	98.3	0	0	0	114	L779 D780 T786 F787 V795	L779-W783 PolarHBondContact O-N 2.9Å; D780-W783 PolarHBondContact O-N 2.72Å; W783-T786 WeakPolarHBondContact O-CB 3.32Å; W783-T786 PolarHBondContact O-N 2.96Å; W783-F787 AromaticContact CE3-CD2 3.88Å; W783-F787 HydrophobicContact CE3-CD2 3.88Å; W783-F787 AromaticContact CE3-CE2 3.51Å; W783-F787 HydrophobicContact CE3-CE2 3.51Å; W783-F787 HydrophobicContact CZ3-CD2 4.4Å; W783-F787 AromaticContact CZ3-CE2 3.58Å; W783-F787 HydrophobicContact CZ3-CE2 3.58Å; W783-F787 HydrophobicContact CZ3-CZ 4.32Å; W783-F787 PolarHBondContact O-N 3.25Å; W783-F787 VanDerWaalsContact O-N 3.1Å; W783-V795 HydrophobicContact CB-CG1 4.42Å
784	I	32.3	Very low	27.6	Very low	55 Å²	55	74.4 Å²	74.4	28%	0.282	41%	0.408	S	S	.	.	H	α-helix	trans	-59.5	-39	175.1	-49.1	155.7	0	0	0	112.5	D780 T786 G788 Y922	D780-I784 HydrophobicContact CB-CD1 4.24Å; D780-I784 VanDerWaalsContact O-CD1 3.28Å; D780-I784 WeakPolarHBondContact O-CD1 3.42Å; D780-I784 WeakPolarHBondContact O-CG1 3.46Å; D780-I784 PolarHBondContact O-N 3.13Å; I784-T786 PolarHBondContact O-N 3.03Å; I784-T786 VanDerWaalsContact O-N 3.1Å; I784-G788 WeakPolarHBondContact O-CA 3.16Å; I784-G788 PolarHBondContact O-N 3.49Å; I784-Y922 HydrophobicContact CB-CE1 3.95Å; I784-Y922 WeakPolarHBondContact CB-OH 3.41Å; I784-Y922 HydrophobicContact CG2-CE1 4.37Å; I784-Y922 WeakPolarHBondContact CG2-OH 3.46Å
785	P	26.3	Very low	27.5	Very low	21 Å²	21	67.3 Å²	67.3	14%	0.136	38%	0.375	C	S	.	.	H	α-helix	trans	-70.4	1.7	172.3	21.8	-27.4	0	0	0	115.7	G781 L782 H789 Y922	G781-P785 WeakPolarHBondContact O-CD 3.31Å; G781-P785 VanDerWaalsContact O-CG 3.3Å; G781-P785 WeakPolarHBondContact O-CG 3.3Å; L782-P785 WeakPolarHBondContact O-CG 3.4Å; P785-H789 PolarHBondContact O-CE1 3.45Å; P785-H789 VanDerWaalsContact O-CE1 3.23Å; P785-H789 PolarHBondContact O-NE2 3.01Å; P785-Y922 HydrophobicContact CB-CD2 3.53Å; P785-Y922 HydrophobicContact CB-CE2 3.51Å; P785-Y922 HydrophobicContact CB-CG 4.16Å; P785-Y922 HydrophobicContact CG-CD1 4.13Å; P785-Y922 HydrophobicContact CG-CD2 3.76Å; P785-Y922 HydrophobicContact CG-CE1 4.3Å; P785-Y922 HydrophobicContact CG-CE2 3.94Å; P785-Y922 HydrophobicContact CG-CG 3.86Å
786	T	27.3	Very low	27.4	Very low	83 Å²	83	69.1 Å²	69.1	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-112.3	-30.8	179.4	-53.4	0	0	0	0	112.3	L782 W783 I784	L782-T786 PolarHBondContact O-OG1 3.22Å; W783-T786 WeakPolarHBondContact O-CB 3.32Å; W783-T786 PolarHBondContact O-N 2.96Å; I784-T786 PolarHBondContact O-N 3.03Å; I784-T786 VanDerWaalsContact O-N 3.1Å
787	F	26.7	Very low	27.3	Very low	63 Å²	63	72.9 Å²	72.9	28%	0.276	39%	0.394	S	S	.	.	H	α-helix	trans	-120.2	-18	-177	-70.1	-88.9	0	0	0	114.9	W783 H789 I790 W793 V795	W783-F787 AromaticContact CE3-CD2 3.88Å; W783-F787 HydrophobicContact CE3-CD2 3.88Å; W783-F787 AromaticContact CE3-CE2 3.51Å; W783-F787 HydrophobicContact CE3-CE2 3.51Å; W783-F787 HydrophobicContact CZ3-CD2 4.4Å; W783-F787 AromaticContact CZ3-CE2 3.58Å; W783-F787 HydrophobicContact CZ3-CE2 3.58Å; W783-F787 HydrophobicContact CZ3-CZ 4.32Å; W783-F787 PolarHBondContact O-N 3.25Å; W783-F787 VanDerWaalsContact O-N 3.1Å; F787-H789 PolarHBondContact O-N 3.38Å; F787-I790 PolarHBondContact O-N 3.39Å; F787-W793 AromaticContact CD1-CE3 4Å; F787-W793 HydrophobicContact CD1-CE3 4Å; F787-W793 HydrophobicContact CD1-CZ3 4.12Å; F787-W793 HydrophobicContact CE1-CZ3 4.42Å; F787-V795 HydrophobicContact CB-CG2 3.76Å; F787-V795 HydrophobicContact CG-CG2 4.36Å
788	G	26.1	Very low	27.3	Very low	41 Å²	41	73.2 Å²	73.2	42%	0.423	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	12.5	-175.3	0	0	0	0	0	116	I784	I784-G788 WeakPolarHBondContact O-CA 3.16Å; I784-G788 PolarHBondContact O-N 3.49Å
789	H	27.9	Very low	27.3	Very low	93 Å²	93	74.1 Å²	74.1	43%	0.431	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-11.8	178.2	-23.3	-56	0	0	0	112.1	P785 F787 H918	P785-H789 PolarHBondContact O-CE1 3.45Å; P785-H789 VanDerWaalsContact O-CE1 3.23Å; P785-H789 PolarHBondContact O-NE2 3.01Å; F787-H789 PolarHBondContact O-N 3.38Å; H789-H918 AromaticContact CE1-CE1 3.83Å
790	I	24.3	Very low	27.2	Very low	92 Å²	92	78.8 Å²	78.8	47%	0.472	42%	0.418	S	S	.	.	S	Bend	trans	-86.4	111.2	172	-60.3	171	0	0	0	106.6	F787 G792 W793	F787-I790 PolarHBondContact O-N 3.39Å; I790-G792 PolarHBondContact O-N 3.08Å; I790-G792 VanDerWaalsContact O-N 3.11Å; I790-W793 HydrophobicContact CB-CB 4.05Å; I790-W793 HydrophobicContact CB-CG 4.28Å; I790-W793 HydrophobicContact CG2-CB 4.2Å; I790-W793 HydrophobicContact CG2-CG 3.99Å; I790-W793 PolarHBondContact O-N 2.84Å
791	S	23.4	Very low	27	Very low	127 Å²	127	83.4 Å²	83.4	89%	0.888	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	120	174.7	-64.1	0	0	0	0	110.4
792	G	23.2	Very low	27	Very low	80 Å²	80	89.6 Å²	89.6	83%	0.825	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	99	-4.1	-175.9	0	0	0	0	0	115.7	I790	I790-G792 PolarHBondContact O-N 3.08Å; I790-G792 VanDerWaalsContact O-N 3.11Å
793	W	24	Very low	27	Very low	135 Å²	135	90.2 Å²	90.2	51%	0.511	47%	0.472	S	S	.	.			trans	-111.1	60.6	176.1	-79.5	47.6	0	0	0	112.2	F787 I790 V795	F787-W793 AromaticContact CD1-CE3 4Å; F787-W793 HydrophobicContact CD1-CE3 4Å; F787-W793 HydrophobicContact CD1-CZ3 4.12Å; F787-W793 HydrophobicContact CE1-CZ3 4.42Å; I790-W793 HydrophobicContact CB-CB 4.05Å; I790-W793 HydrophobicContact CB-CG 4.28Å; I790-W793 HydrophobicContact CG2-CB 4.2Å; I790-W793 HydrophobicContact CG2-CG 3.99Å; I790-W793 PolarHBondContact O-N 2.84Å; W793-V795 PolarHBondContact O-N 2.85Å
794	E	25.3	Very low	26.6	Very low	106 Å²	106	88.2 Å²	88.2	50%	0.495	49%	0.49	S	S	.	.			trans	-69.8	101.7	159.1	-75.8	-164.9	163	0	0	109.1	N796 N799	E794-N796 PolarHBondContact O-N 3.03Å; E794-N799 PolarHBondContact O-ND2 2.99Å
795	V	25.5	Very low	26.2	Very low	21 Å²	21	89 Å²	89	13%	0.127	51%	0.511	C	S	.	.			trans	-71.3	62	166.6	-176.9	0	0	0	0	108.7	W783 F787 W793 W800	W783-V795 HydrophobicContact CB-CG1 4.42Å; F787-V795 HydrophobicContact CB-CG2 3.76Å; F787-V795 HydrophobicContact CG-CG2 4.36Å; W793-V795 PolarHBondContact O-N 2.85Å; V795-W800 HydrophobicContact CG1-CZ2 4.39Å
796	N	29.9	Very low	26.1	Very low	68 Å²	68	94.1 Å²	94.1	36%	0.364	54%	0.537	S	S	.	.			trans	-82.5	130.1	165.5	179.5	-24.4	0	0	0	107.2	E794 N798 N799 W800	E794-N796 PolarHBondContact O-N 3.03Å; N796-N798 PolarHBondContact O-N 3.32Å; N796-N798 WeakPolarHBondContact OD1-CB 3.34Å; N796-N798 PolarHBondContact OD1-N 3.21Å; N796-N799 WeakPolarHBondContact O-CA 3.41Å; N796-N799 WeakPolarHBondContact O-CB 3.44Å; N796-N799 PolarHBondContact O-N 3.46Å; N796-W800 PolarHBondContact O-N 3.19Å
797	R	27.5	Very low	26	Very low	111 Å²	111	99.3 Å²	99.3	42%	0.419	56%	0.555	S	S	.	*	H	α-helix	trans	-54.8	-26.1	178.3	-161.3	175.6	-174.7	-143.6	4.4	113.2	T776 W800 Q801	T776-R797 VanDerWaalsContact CG2-NH1 3.35Å; R797-W800 PolarHBondContact O-N 3.34Å; R797-Q801 PolarHBondContact O-N 3.35Å
798	N	29.7	Very low	25.7	Very low	93 Å²	93	104.4 Å²	104.4	50%	0.497	58%	0.578	S	S	.	*	H	α-helix	trans	-66.3	-36.2	171.4	-66.2	-14.6	0	0	0	112.5	N796 W800 Q801 L802	N796-N798 PolarHBondContact O-N 3.32Å; N796-N798 WeakPolarHBondContact OD1-CB 3.34Å; N796-N798 PolarHBondContact OD1-N 3.21Å; N798-W800 VanDerWaalsContact C-N 3.31Å; N798-Q801 PolarHBondContact O-N 2.88Å; N798-L802 WeakPolarHBondContact O-CB 3.24Å; N798-L802 WeakPolarHBondContact O-CD1 3.41Å; N798-L802 WeakPolarHBondContact O-CG 3.43Å; N798-L802 PolarHBondContact O-N 3.21Å
799	N	28.4	Very low	25.6	Very low	65 Å²	65	106.8 Å²	106.8	35%	0.348	59%	0.586	S	S	.	*	H	α-helix	trans	-65.6	-36.6	172.4	-72.8	-19.5	0	0	0	111.1	E794 N796 L802 L803	E794-N799 PolarHBondContact O-ND2 2.99Å; N796-N799 WeakPolarHBondContact O-CA 3.41Å; N796-N799 WeakPolarHBondContact O-CB 3.44Å; N796-N799 PolarHBondContact O-N 3.46Å; N799-L802 PolarHBondContact O-N 2.79Å; N799-L803 VanDerWaalsContact O-CB 3.27Å; N799-L803 WeakPolarHBondContact O-CB 3.39Å; N799-L803 VanDerWaalsContact O-CG 3.25Å; N799-L803 WeakPolarHBondContact O-CG 3.06Å; N799-L803 PolarHBondContact O-N 3.41Å
800	W	27.9	Very low	25.3	Very low	132 Å²	132	106.4 Å²	106.4	50%	0.5	59%	0.593	S	S	.	*	H	α-helix	trans	-71.3	-28.5	175.7	-73.5	68.9	0	0	0	113.3	V795 N796 R797 N798	V795-W800 HydrophobicContact CG1-CZ2 4.39Å; N796-W800 PolarHBondContact O-N 3.19Å; R797-W800 PolarHBondContact O-N 3.34Å; N798-W800 VanDerWaalsContact C-N 3.31Å
801	Q	27.3	Very low	25.4	Very low	136 Å²	136	107.1 Å²	107.1	64%	0.636	60%	0.602	S	S	*	*	H	α-helix	trans	-85	-25.5	172.2	-71.7	-176	-25.6	0	0	113.5	R797 N798	R797-Q801 PolarHBondContact O-N 3.35Å; N798-Q801 PolarHBondContact O-N 2.88Å
802	L	27.5	Very low	25.3	Very low	139 Å²	139	108.3 Å²	108.3	73%	0.728	60%	0.598	S	S	*	*	H	α-helix	trans	-80.1	-28.6	174.6	-73.9	164.3	0	0	0	112.3	N798 N799 G804	N798-L802 WeakPolarHBondContact O-CB 3.24Å; N798-L802 WeakPolarHBondContact O-CD1 3.41Å; N798-L802 WeakPolarHBondContact O-CG 3.43Å; N798-L802 PolarHBondContact O-N 3.21Å; N799-L802 PolarHBondContact O-N 2.79Å; L802-G804 VanDerWaalsContact C-N 3.34Å; L802-G804 PolarHBondContact O-N 2.9Å
803	L	26.6	Very low	25.3	Very low	109 Å²	109	111.7 Å²	111.7	57%	0.571	60%	0.596	S	S	*	*	S	Bend	trans	-90.2	65.9	172.8	-64.8	170.5	0	0	0	110.5	N799 G805	N799-L803 VanDerWaalsContact O-CB 3.27Å; N799-L803 WeakPolarHBondContact O-CB 3.39Å; N799-L803 VanDerWaalsContact O-CG 3.25Å; N799-L803 WeakPolarHBondContact O-CG 3.06Å; N799-L803 PolarHBondContact O-N 3.41Å; L803-G805 PolarHBondContact O-N 3.19Å
804	G	22.2	Very low	25.2	Very low	83 Å²	83	117 Å²	117	86%	0.856	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	63.9	-175.4	0	0	0	0	0	115.3	L802	L802-G804 VanDerWaalsContact C-N 3.34Å; L802-G804 PolarHBondContact O-N 2.9Å
805	G	23.4	Very low	25.1	Very low	70 Å²	70	115.4 Å²	115.4	72%	0.722	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-178.1	16.5	-179.7	0	0	0	0	0	116.7	L803	L803-G805 PolarHBondContact O-N 3.19Å
806	L	23.5	Very low	25.1	Very low	129 Å²	129	118.6 Å²	118.6	68%	0.675	65%	0.645	S	S	*	*			trans	-113.3	107.1	177	-72.9	170.4	0	0	0	111.2
807	E	24.9	Very low	24.9	Very low	193 Å²	193	122.3 Å²	122.3	90%	0.902	66%	0.664	S	S	*	*			trans	-72.3	157.4	170.6	-65.2	-178.8	140.8	0	0	111.1
808	F	21.2	Very low	24.9	Very low	170 Å²	170	124.8 Å²	124.8	75%	0.746	68%	0.68	S	S	*	*			trans	-53.4	145.6	-170	-101.3	-109.6	0	0	0	115	S810	F808-S810 PolarHBondContact O-N 3.17Å; F808-S810 PolarHBondContact O-OG 2.91Å
809	P	24.6	Very low	24.9	Very low	91 Å²	91	124 Å²	124	59%	0.591	68%	0.679	S	S	*	*			trans	-74.2	73.7	157.4	33	-33.2	0	0	0	110.1	V811	P809-V811 PolarHBondContact O-N 3.36Å
810	S	21.8	Very low	24.7	Very low	84 Å²	84	124.5 Å²	124.5	59%	0.587	68%	0.682	S	S	*	*			trans	-65.5	8.9	173.8	-39.5	0	0	0	0	113.9	F808	F808-S810 PolarHBondContact O-N 3.17Å; F808-S810 PolarHBondContact O-OG 2.91Å
811	V	24.7	Very low	24.6	Very low	107 Å²	107	127.7 Å²	127.7	65%	0.648	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	31.8	-148.9	-159.4	0	0	0	0	113.4	P809	P809-V811 PolarHBondContact O-N 3.36Å
812	L	22.2	Very low	24.4	Very low	153 Å²	153	131 Å²	131	80%	0.801	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	5.9	152.8	-82.3	173.1	0	0	0	112.4
813	L	23	Very low	24.2	Very low	150 Å²	150	130.9 Å²	130.9	79%	0.785	70%	0.7	S	S	*	*	S	Bend	trans	-124	138.7	170	-65.5	173	0	0	0	108.6
814	R	22.4	Very low	24	Very low	246 Å²	246	129.9 Å²	129.9	93%	0.928	70%	0.699	S	S	*	*	S	Bend	trans	-48.4	140.9	-174.9	-70.1	170	166.4	168.8	-5.1	114.1
815	G	22.4	Very low	24	Very low	74 Å²	74	133.2 Å²	133.2	76%	0.763	69%	0.69	S	S	*	*			trans	117.9	43.9	139.7	0	0	0	0	0	118
816	D	26.1	Very low	23.8	Very low	88 Å²	88	140 Å²	140	47%	0.471	70%	0.7	S	S	.	*			trans	-118.1	124.8	160.5	178.4	37.4	0	0	0	111.2	H818 T819	D816-H818 WeakPolarHBondContact OD1-CB 3.06Å; D816-H818 IonicContact OD1-CD2 2.65Å; D816-H818 IonicContact OD1-CG 2.97Å; D816-H818 PolarHBondContact OD1-N 3.47Å; D816-T819 WeakPolarHBondContact OD2-CB 3.39Å; D816-T819 PolarHBondContact OD2-N 3.02Å; D816-T819 PolarHBondContact OD2-OG1 3.25Å
817	D	26.4	Very low	23.7	Very low	145 Å²	145	136.9 Å²	136.9	78%	0.775	70%	0.699	S	S	*	*	S	Bend	trans	-97.9	-0.4	-176.8	-53.7	-9	0	0	0	111.2
818	H	27.3	Very low	23.6	Very low	163 Å²	163	135.5 Å²	135.5	76%	0.755	70%	0.697	S	S	*	*			trans	-115.1	-12.3	-165.2	-57.9	-45.6	0	0	0	115.3	D816 D820	D816-H818 WeakPolarHBondContact OD1-CB 3.06Å; D816-H818 IonicContact OD1-CD2 2.65Å; D816-H818 IonicContact OD1-CG 2.97Å; D816-H818 PolarHBondContact OD1-N 3.47Å; H818-D820 PolarHBondContact O-N 2.95Å; H818-D820 VanDerWaalsContact O-N 3.14Å
819	T	28	Very low	23.7	Very low	78 Å²	78	133.3 Å²	133.3	48%	0.479	70%	0.698	S	S	.	*			trans	-73.5	101.6	174.8	-63.2	0	0	0	0	111.9	D816 W821 V824	D816-T819 WeakPolarHBondContact OD2-CB 3.39Å; D816-T819 PolarHBondContact OD2-N 3.02Å; D816-T819 PolarHBondContact OD2-OG1 3.25Å; T819-W821 PolarHBondContact O-N 2.89Å; T819-V824 HydrophobicContact CG2-CG2 3.87Å
820	D	25.3	Very low	23.8	Very low	75 Å²	75	130.1 Å²	130.1	40%	0.401	68%	0.677	S	S	.	*			trans	-66.6	119	174.2	-169.4	-6.7	0	0	0	110.6	H818 R822 N823	H818-D820 PolarHBondContact O-N 2.95Å; H818-D820 VanDerWaalsContact O-N 3.14Å; D820-R822 PolarHBondContact O-N 3.13Å; D820-R822 WeakPolarHBondContact OD1-CD 3.48Å; D820-R822 WeakPolarHBondContact OD1-CG 2.97Å; D820-R822 PolarHBondContact OD1-N 3.05Å; D820-R822 IonicContact OD1-NE 3.16Å; D820-R822 PolarHBondContact OD1-NE 3.05Å; D820-R822 VanDerWaalsContact OD1-NE 3.17Å; D820-R822 WeakPolarHBondContact OD2-CD 3.45Å; D820-R822 IonicContact OD2-CZ 3.34Å; D820-R822 IonicContact OD2-NE 3.59Å; D820-R822 PolarHBondContact OD2-NE 2.89Å; D820-R822 VanDerWaalsContact OD2-NE 3.16Å; D820-N823 WeakPolarHBondContact O-CB 3.46Å; D820-N823 PolarHBondContact O-N 3.01Å
821	W	24.8	Very low	24.3	Very low	198 Å²	198	130.8 Å²	130.8	75%	0.75	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-52.5	-22.8	-177.6	-99.5	79.2	0	0	0	114.5	T819 N823 V824	T819-W821 PolarHBondContact O-N 2.89Å; W821-N823 PolarHBondContact O-N 3.02Å; W821-V824 PolarHBondContact O-N 3.1Å; W821-V824 VanDerWaalsContact O-N 3.1Å
822	R	24	Very low	24.6	Very low	206 Å²	206	133.7 Å²	133.7	78%	0.777	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-61.8	-23.2	175.7	-58.6	170	-147.2	-138.8	-3.7	113.2	D820	D820-R822 PolarHBondContact O-N 3.13Å; D820-R822 WeakPolarHBondContact OD1-CD 3.48Å; D820-R822 WeakPolarHBondContact OD1-CG 2.97Å; D820-R822 PolarHBondContact OD1-N 3.05Å; D820-R822 IonicContact OD1-NE 3.16Å; D820-R822 PolarHBondContact OD1-NE 3.05Å; D820-R822 VanDerWaalsContact OD1-NE 3.17Å; D820-R822 WeakPolarHBondContact OD2-CD 3.45Å; D820-R822 IonicContact OD2-CZ 3.34Å; D820-R822 IonicContact OD2-NE 3.59Å; D820-R822 PolarHBondContact OD2-NE 2.89Å; D820-R822 VanDerWaalsContact OD2-NE 3.16Å
823	N	23.3	Very low	25.2	Very low	136 Å²	136	127.2 Å²	127.2	73%	0.727	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-90.7	-0.7	179.1	-59.3	-36.4	0	0	0	112.8	D820 W821	D820-N823 WeakPolarHBondContact O-CB 3.46Å; D820-N823 PolarHBondContact O-N 3.01Å; W821-N823 PolarHBondContact O-N 3.02Å
824	V	23.1	Very low	25.9	Very low	89 Å²	89	122.8 Å²	122.8	54%	0.539	61%	0.613	S	S	.	*	S	Bend	trans	-116.8	49.4	-173	-163.7	0	0	0	0	110.8	T819 W821	T819-V824 HydrophobicContact CG2-CG2 3.87Å; W821-V824 PolarHBondContact O-N 3.1Å; W821-V824 VanDerWaalsContact O-N 3.1Å
825	F	20.5	Very low	26.7	Very low	153 Å²	153	114.3 Å²	114.3	67%	0.671	58%	0.583	S	S	*	*			trans	-146.3	78.9	-174.8	-119.3	-81.5	0	0	0	112.6
826	F	20.9	Very low	27.6	Very low	212 Å²	212	112.9 Å²	112.9	93%	0.93	56%	0.558	S	S	*	*	S	Bend	trans	-167.3	125.9	157	-74.4	-59.3	0	0	0	108.7
827	G	20	Very low	28.2	Very low	63 Å²	63	109.4 Å²	109.4	65%	0.649	54%	0.539	S	S	*	.			cis	-141.9	86.4	-3.2	0	0	0	0	0	111.7	T829	G827-T829 PolarHBondContact O-N 2.86Å
828	L	23.7	Very low	29	Very low	164 Å²	164	104 Å²	104	86%	0.859	51%	0.51	S	S	*	.			trans	-72.7	70.6	162.3	-77.3	167.2	0	0	0	109.8	P830	L828-P830 WeakPolarHBondContact O-CD 3.37Å
829	T	23.5	Very low	30	Very low	125 Å²	125	99.5 Å²	99.5	77%	0.767	49%	0.493	S	S	*	.			trans	-76.4	103.1	147.1	37.5	0	0	0	0	106.3	G827 H831	G827-T829 PolarHBondContact O-N 2.86Å; T829-H831 PolarHBondContact O-N 3.1Å
830	P	27.3	Very low	30.7	Very low	23 Å²	23	100.3 Å²	100.3	15%	0.149	49%	0.49	C	S	.	.			trans	-56.5	131	174.2	23.9	-33.8	0	0	0	108.7	L828 I834 K835 L838 W844	L828-P830 WeakPolarHBondContact O-CD 3.37Å; P830-I834 HydrophobicContact CB-CB 3.68Å; P830-I834 HydrophobicContact CB-CG2 3.51Å; P830-K835 HydrophobicContact CB-CB 4.14Å; P830-K835 HydrophobicContact CG-CB 3.92Å; P830-K835 HydrophobicContact CG-CG 4.11Å; P830-L838 HydrophobicContact CB-CD1 4.45Å; P830-W844 HydrophobicContact CG-CD2 4.49Å; P830-W844 HydrophobicContact CG-CE3 4.2Å; P830-W844 HydrophobicContact CG-CH2 3.83Å; P830-W844 HydrophobicContact CG-CZ2 4.14Å; P830-W844 HydrophobicContact CG-CZ3 3.86Å
831	H	30.8	Very low	31.4	Very low	98 Å²	98	99.6 Å²	99.6	45%	0.454	49%	0.486	S	S	.	.			trans	-51.9	149.8	168.5	-150.4	-88.7	0	0	0	108.3	T829 E833 I834 K835	T829-H831 PolarHBondContact O-N 3.1Å; H831-E833 IonicContact CE1-OE1 3.13Å; H831-E833 IonicContact CE1-OE2 3.26Å; H831-E833 IonicContact CG-OE2 3.85Å; H831-E833 IonicContact ND1-OE1 2.68Å; H831-E833 PolarHBondContact ND1-OE1 3.18Å; H831-E833 IonicContact ND1-OE2 2.72Å; H831-E833 PolarHBondContact ND1-OE2 2.67Å; H831-E833 PolarHBondContact O-N 3.22Å; H831-I834 HydrophobicContact CB-CD1 4.15Å; H831-I834 HydrophobicContact CB-CG1 4.24Å; H831-I834 CarbonylContact O-C 3.59Å; H831-I834 WeakPolarHBondContact O-CA 3.3Å; H831-I834 WeakPolarHBondContact O-CB 3.15Å; H831-I834 PolarHBondContact O-N 2.61Å; H831-K835 PolarHBondContact O-N 2.79Å
832	Y	32.1	Very low	32	Very low	169 Å²	169	93.5 Å²	93.5	66%	0.663	49%	0.485	S	S	*	.	H	α-helix	trans	-53.4	-34.9	-166.7	172.1	-110.1	0	0	0	113.3	K835 I836	Y832-K835 WeakPolarHBondContact O-CB 3.21Å; Y832-K835 PolarHBondContact O-N 3.23Å; Y832-I836 HydrophobicContact CD1-CD1 3.74Å; Y832-I836 HydrophobicContact CD2-CD1 4.44Å; Y832-I836 HydrophobicContact CE1-CD1 3.32Å; Y832-I836 HydrophobicContact CE1-CG1 4.4Å; Y832-I836 HydrophobicContact CE2-CD1 4.07Å; Y832-I836 HydrophobicContact CE2-CG1 4.33Å; Y832-I836 HydrophobicContact CG-CD1 4.29Å; Y832-I836 WeakPolarHBondContact O-CG1 3.2Å; Y832-I836 PolarHBondContact O-N 2.89Å
833	E	34	Very low	32.7	Very low	16 Å²	16	86.8 Å²	86.8	8%	0.075	46%	0.464	C	S	.	.	H	α-helix	trans	-74.9	-34.7	175.6	-40.3	77.4	-174.4	0	0	112.6	H831 K835 I836 L837 V877 S880	H831-E833 IonicContact CE1-OE1 3.13Å; H831-E833 IonicContact CE1-OE2 3.26Å; H831-E833 IonicContact CG-OE2 3.85Å; H831-E833 IonicContact ND1-OE1 2.68Å; H831-E833 PolarHBondContact ND1-OE1 3.18Å; H831-E833 IonicContact ND1-OE2 2.72Å; H831-E833 PolarHBondContact ND1-OE2 2.67Å; H831-E833 PolarHBondContact O-N 3.22Å; E833-K835 VanDerWaalsContact C-N 3.29Å; E833-I836 PolarHBondContact O-N 2.83Å; E833-L837 WeakPolarHBondContact O-CB 3.12Å; E833-L837 PolarHBondContact O-N 3.36Å; E833-V877 HydrophobicContact CB-CG1 4.49Å; E833-V877 WeakPolarHBondContact CG-O 3.17Å; E833-S880 WeakPolarHBondContact OE1-CB 3.34Å; E833-S880 PolarHBondContact OE1-OG 3.23Å
834	I	37.9	Very low	33.6	Very low	57 Å²	57	85 Å²	85	29%	0.292	45%	0.447	S	S	.	.	H	α-helix	trans	-60.8	-43.6	168.4	-59.1	177	0	0	0	109.2	P830 H831 L837 L838 P888	P830-I834 HydrophobicContact CB-CB 3.68Å; P830-I834 HydrophobicContact CB-CG2 3.51Å; H831-I834 HydrophobicContact CB-CD1 4.15Å; H831-I834 HydrophobicContact CB-CG1 4.24Å; H831-I834 CarbonylContact O-C 3.59Å; H831-I834 WeakPolarHBondContact O-CA 3.3Å; H831-I834 WeakPolarHBondContact O-CB 3.15Å; H831-I834 PolarHBondContact O-N 2.61Å; I834-L837 WeakPolarHBondContact O-CB 3.41Å; I834-L837 PolarHBondContact O-N 3.08Å; I834-L837 VanDerWaalsContact O-N 3.16Å; I834-L838 HydrophobicContact CG2-CD1 3.73Å; I834-L838 HydrophobicContact CG2-CG 4.02Å; I834-L838 WeakPolarHBondContact O-CB 3.11Å; I834-L838 VanDerWaalsContact O-CG 3.28Å; I834-L838 WeakPolarHBondContact O-CG 3.49Å; I834-L838 PolarHBondContact O-N 3.05Å; I834-P888 HydrophobicContact CD1-CB 3.87Å; I834-P888 HydrophobicContact CG1-CB 3.32Å; I834-P888 HydrophobicContact CG1-CG 4.41Å
835	K	40.6	Very low	34.6	Very low	69 Å²	69	82.9 Å²	82.9	30%	0.3	44%	0.436	S	S	.	.	H	α-helix	trans	-62.9	-45	178.9	-163.9	-173.4	176.3	-164.7	0	110.5	P830 H831 Y832 E833 L837 L838 V839 D846	P830-K835 HydrophobicContact CB-CB 4.14Å; P830-K835 HydrophobicContact CG-CB 3.92Å; P830-K835 HydrophobicContact CG-CG 4.11Å; H831-K835 PolarHBondContact O-N 2.79Å; Y832-K835 WeakPolarHBondContact O-CB 3.21Å; Y832-K835 PolarHBondContact O-N 3.23Å; E833-K835 VanDerWaalsContact C-N 3.29Å; K835-L837 VanDerWaalsContact C-N 3.34Å; K835-L837 PolarHBondContact O-N 2.95Å; K835-L838 PolarHBondContact O-N 2.79Å; K835-V839 HydrophobicContact CG-CG2 4.49Å; K835-V839 VanDerWaalsContact O-CB 3.32Å; K835-V839 WeakPolarHBondContact O-CB 2.84Å; K835-V839 WeakPolarHBondContact O-CG2 3.11Å; K835-V839 PolarHBondContact O-N 2.81Å; K835-D846 WeakPolarHBondContact CE-OD1 2.98Å; K835-D846 IonicContact NZ-OD1 3.65Å; K835-D846 PolarHBondContact NZ-OD1 2.91Å; K835-D846 IonicContact NZ-OD2 2.69Å
836	I	39.9	Very low	35.7	Very low	44 Å²	44	81.4 Å²	81.4	23%	0.226	44%	0.435	C	S	.	.	H	α-helix	trans	-57.9	-45.6	171.6	-70	160.6	0	0	0	111.1	Y832 E833 V839 K840	Y832-I836 HydrophobicContact CD1-CD1 3.74Å; Y832-I836 HydrophobicContact CD2-CD1 4.44Å; Y832-I836 HydrophobicContact CE1-CD1 3.32Å; Y832-I836 HydrophobicContact CE1-CG1 4.4Å; Y832-I836 HydrophobicContact CE2-CD1 4.07Å; Y832-I836 HydrophobicContact CE2-CG1 4.33Å; Y832-I836 HydrophobicContact CG-CD1 4.29Å; Y832-I836 WeakPolarHBondContact O-CG1 3.2Å; Y832-I836 PolarHBondContact O-N 2.89Å; E833-I836 PolarHBondContact O-N 2.83Å; I836-V839 PolarHBondContact O-N 3.48Å; I836-K840 HydrophobicContact CG2-CD 4.02Å; I836-K840 HydrophobicContact CG2-CG 4.33Å; I836-K840 VanDerWaalsContact O-CB 3.29Å; I836-K840 WeakPolarHBondContact O-CB 3.04Å; I836-K840 WeakPolarHBondContact O-CG 3.42Å; I836-K840 PolarHBondContact O-N 3Å
837	L	39.6	Very low	36.8	Very low	15 Å²	15	77.5 Å²	77.5	8%	0.079	42%	0.424	C	S	.	.	H	α-helix	trans	-62.3	-48.8	-178.7	-140.3	93.2	0	0	0	110.8	E833 I834 K835 K840 L841 L872 F909	E833-L837 WeakPolarHBondContact O-CB 3.12Å; E833-L837 PolarHBondContact O-N 3.36Å; I834-L837 WeakPolarHBondContact O-CB 3.41Å; I834-L837 PolarHBondContact O-N 3.08Å; I834-L837 VanDerWaalsContact O-N 3.16Å; K835-L837 VanDerWaalsContact C-N 3.34Å; K835-L837 PolarHBondContact O-N 2.95Å; L837-K840 PolarHBondContact O-N 3.5Å; L837-L841 HydrophobicContact CD2-CD1 4.11Å; L837-L841 HydrophobicContact CG-CD1 4.28Å; L837-L841 VanDerWaalsContact O-CB 3.32Å; L837-L841 WeakPolarHBondContact O-CB 3.24Å; L837-L841 WeakPolarHBondContact O-CG 3.31Å; L837-L841 PolarHBondContact O-N 2.85Å; L837-L872 HydrophobicContact CD1-CD1 3.77Å; L837-L872 HydrophobicContact CG-CD1 4.46Å; L837-F909 HydrophobicContact CD1-CE1 4.46Å; L837-F909 HydrophobicContact CD1-CZ 4.31Å; L837-F909 HydrophobicContact CD2-CE2 3.9Å; L837-F909 HydrophobicContact CD2-CZ 4.01Å
838	L	43.1	Very low	37.3	Very low	32 Å²	32	77.4 Å²	77.4	17%	0.168	42%	0.422	C	S	.	.	H	α-helix	trans	-67.4	-38.6	179.9	-63.2	175.1	0	0	0	111.7	P830 I834 K835 L841 G842 I843 W844	P830-L838 HydrophobicContact CB-CD1 4.45Å; I834-L838 HydrophobicContact CG2-CD1 3.73Å; I834-L838 HydrophobicContact CG2-CG 4.02Å; I834-L838 WeakPolarHBondContact O-CB 3.11Å; I834-L838 VanDerWaalsContact O-CG 3.28Å; I834-L838 WeakPolarHBondContact O-CG 3.49Å; I834-L838 PolarHBondContact O-N 3.05Å; K835-L838 PolarHBondContact O-N 2.79Å; L838-L841 PolarHBondContact O-N 2.95Å; L838-G842 PolarHBondContact O-N 3.46Å; L838-I843 HydrophobicContact CB-CB 4.27Å; L838-I843 HydrophobicContact CD2-CB 4.04Å; L838-I843 HydrophobicContact CD2-CD1 4.22Å; L838-I843 HydrophobicContact CD2-CG2 3.88Å; L838-I843 WeakPolarHBondContact O-CA 3.32Å; L838-I843 PolarHBondContact O-N 3.2Å; L838-W844 HydrophobicContact CB-CB 3.54Å; L838-W844 HydrophobicContact CB-CG 4.48Å; L838-W844 HydrophobicContact CD1-CE3 4.04Å; L838-W844 PolarHBondContact O-N 3.45Å
839	V	47	Very low	37.5	Very low	67 Å²	67	79.2 Å²	79.2	41%	0.406	42%	0.418	S	S	.	.	H	α-helix	trans	-63.7	-44.7	173.2	169.6	0	0	0	0	110.8	K835 I836 L841 G842 W844	K835-V839 HydrophobicContact CG-CG2 4.49Å; K835-V839 VanDerWaalsContact O-CB 3.32Å; K835-V839 WeakPolarHBondContact O-CB 2.84Å; K835-V839 WeakPolarHBondContact O-CG2 3.11Å; K835-V839 PolarHBondContact O-N 2.81Å; I836-V839 PolarHBondContact O-N 3.48Å; V839-L841 VanDerWaalsContact C-N 3.34Å; V839-L841 PolarHBondContact O-N 3.3Å; V839-G842 PolarHBondContact O-N 3.4Å; V839-W844 WeakPolarHBondContact CA-O 3.3Å; V839-W844 HydrophobicContact CG2-CB 3.97Å; V839-W844 HydrophobicContact CG2-CG 4.11Å
840	K	42.8	Very low	37.8	Very low	96 Å²	96	81.8 Å²	81.8	42%	0.417	41%	0.414	S	S	.	.	H	α-helix	trans	-68.1	-29.7	177.6	-79.5	-172.5	172.2	-177.3	0	114	I836 L837 G842 L872	I836-K840 HydrophobicContact CG2-CD 4.02Å; I836-K840 HydrophobicContact CG2-CG 4.33Å; I836-K840 VanDerWaalsContact O-CB 3.29Å; I836-K840 WeakPolarHBondContact O-CB 3.04Å; I836-K840 WeakPolarHBondContact O-CG 3.42Å; I836-K840 PolarHBondContact O-N 3Å; L837-K840 PolarHBondContact O-N 3.5Å; K840-G842 VanDerWaalsContact C-N 3.27Å; K840-L872 HydrophobicContact CD-CD2 3.78Å
841	L	40.2	Very low	38.1	Very low	60 Å²	60	84.3 Å²	84.3	31%	0.314	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-1.3	174.7	-69.2	168.9	0	0	0	112.8	L837 L838 V839 I843 I865 F892	L837-L841 HydrophobicContact CD2-CD1 4.11Å; L837-L841 HydrophobicContact CG-CD1 4.28Å; L837-L841 VanDerWaalsContact O-CB 3.32Å; L837-L841 WeakPolarHBondContact O-CB 3.24Å; L837-L841 WeakPolarHBondContact O-CG 3.31Å; L837-L841 PolarHBondContact O-N 2.85Å; L838-L841 PolarHBondContact O-N 2.95Å; V839-L841 VanDerWaalsContact C-N 3.34Å; V839-L841 PolarHBondContact O-N 3.3Å; L841-I843 VanDerWaalsContact C-N 3.25Å; L841-I843 HydrophobicContact CB-CD1 3.67Å; L841-I843 HydrophobicContact CB-CG1 3.8Å; L841-I843 HydrophobicContact CD1-CD1 4.09Å; L841-I843 PolarHBondContact O-N 3.04Å; L841-I865 HydrophobicContact CD2-CG2 4.46Å; L841-F892 HydrophobicContact CD1-CE2 4.25Å; L841-F892 HydrophobicContact CD1-CZ 3.92Å
842	G	37.3	Very low	38.1	Very low	70 Å²	70	88.3 Å²	88.3	72%	0.722	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	13.7	-176.6	0	0	0	0	0	114.5	L838 V839 K840	L838-G842 PolarHBondContact O-N 3.46Å; V839-G842 PolarHBondContact O-N 3.4Å; K840-G842 VanDerWaalsContact C-N 3.27Å
843	I	40.4	Very low	38	Very low	65 Å²	65	84.5 Å²	84.5	33%	0.333	43%	0.433	S	S	.	.	S	Bend	trans	-92.8	-18.4	-175.4	-53.8	176	0	0	0	111.5	L838 L841 F892	L838-I843 HydrophobicContact CB-CB 4.27Å; L838-I843 HydrophobicContact CD2-CB 4.04Å; L838-I843 HydrophobicContact CD2-CD1 4.22Å; L838-I843 HydrophobicContact CD2-CG2 3.88Å; L838-I843 WeakPolarHBondContact O-CA 3.32Å; L838-I843 PolarHBondContact O-N 3.2Å; L841-I843 VanDerWaalsContact C-N 3.25Å; L841-I843 HydrophobicContact CB-CD1 3.67Å; L841-I843 HydrophobicContact CB-CG1 3.8Å; L841-I843 HydrophobicContact CD1-CD1 4.09Å; L841-I843 PolarHBondContact O-N 3.04Å; I843-F892 HydrophobicContact CD1-CE1 3.63Å; I843-F892 HydrophobicContact CD1-CZ 3.9Å
844	W	40.6	Very low	37.7	Very low	99 Å²	99	90.7 Å²	90.7	38%	0.375	47%	0.465	S	S	.	.			trans	-132.8	145.5	179.7	-171.6	-73.7	0	0	0	111.7	P830 L838 V839	P830-W844 HydrophobicContact CG-CD2 4.49Å; P830-W844 HydrophobicContact CG-CE3 4.2Å; P830-W844 HydrophobicContact CG-CH2 3.83Å; P830-W844 HydrophobicContact CG-CZ2 4.14Å; P830-W844 HydrophobicContact CG-CZ3 3.86Å; L838-W844 HydrophobicContact CB-CB 3.54Å; L838-W844 HydrophobicContact CB-CG 4.48Å; L838-W844 HydrophobicContact CD1-CE3 4.04Å; L838-W844 PolarHBondContact O-N 3.45Å; V839-W844 WeakPolarHBondContact CA-O 3.3Å; V839-W844 HydrophobicContact CG2-CB 3.97Å; V839-W844 HydrophobicContact CG2-CG 4.11Å
845	S	44.8	Very low	37.2	Very low	43 Å²	43	90 Å²	90	30%	0.301	47%	0.465	S	S	.	.			trans	-134.4	151.6	166.9	69.2	0	0	0	0	110.8	D847 G848	S845-D847 WeakPolarHBondContact CB-OD1 2.94Å; S845-D847 PolarHBondContact O-N 2.98Å; S845-D847 PolarHBondContact OG-OD1 3.05Å; S845-G848 PolarHBondContact O-N 3.41Å
846	D	43.3	Very low	36.7	Very low	123 Å²	123	91 Å²	91	66%	0.658	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.3	177.7	-78	-26.9	0	0	0	112.8	K835 G848	K835-D846 WeakPolarHBondContact CE-OD1 2.98Å; K835-D846 IonicContact NZ-OD1 3.65Å; K835-D846 PolarHBondContact NZ-OD1 2.91Å; K835-D846 IonicContact NZ-OD2 2.69Å; D846-G848 PolarHBondContact O-N 2.86Å
847	D	43.4	Very low	36.1	Very low	130 Å²	130	92.5 Å²	92.5	70%	0.695	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.7	174.5	-41.2	42.1	0	0	0	113.2	S845 W849	S845-D847 WeakPolarHBondContact CB-OD1 2.94Å; S845-D847 PolarHBondContact O-N 2.98Å; S845-D847 PolarHBondContact OG-OD1 3.05Å; D847-W849 VanDerWaalsContact C-N 3.32Å; D847-W849 PolarHBondContact O-N 3.01Å
848	G	31.2	Very low	35.5	Very low	60 Å²	60	98.9 Å²	98.9	62%	0.619	51%	0.513	S	S	*	.	S	Bend	trans	73	6.6	172	0	0	0	0	0	117.2	S845 D846	S845-G848 PolarHBondContact O-N 3.41Å; D846-G848 PolarHBondContact O-N 2.86Å
849	W	27.2	Very low	34.7	Very low	203 Å²	203	104 Å²	104	77%	0.769	54%	0.536	S	S	*	.			trans	-144.8	70.1	-171.3	-78.1	75.1	0	0	0	114.8	D847	D847-W849 VanDerWaalsContact C-N 3.32Å; D847-W849 PolarHBondContact O-N 3.01Å
850	W	31.1	Very low	33.7	Very low	178 Å²	178	112.3 Å²	112.3	67%	0.674	56%	0.56	S	S	*	*			trans	-159.8	155	155.3	-122.3	2.9	0	0	0	114	R852	W850-R852 VanDerWaalsContact CD1-CD 3.48Å; W850-R852 HydrophobicContact CG-CG 4.38Å; W850-R852 VanDerWaalsContact NE1-CG 3.3Å
851	P	33.8	Very low	32.7	Very low	77 Å²	77	117.8 Å²	117.8	50%	0.5	58%	0.578	S	S	.	*			cis	-75.2	150.7	2.4	-20.2	37.1	0	0	0	115.9	L857	P851-L857 HydrophobicContact CB-CD1 4.23Å; P851-L857 HydrophobicContact CB-CG 4.39Å; P851-L857 HydrophobicContact CG-CD1 3.88Å; P851-L857 HydrophobicContact CG-CD2 4.42Å; P851-L857 HydrophobicContact CG-CG 4.05Å
852	R	29.4	Very low	31.9	Very low	182 Å²	182	116.4 Å²	116.4	69%	0.687	58%	0.578	S	S	*	*			trans	-100.1	-2.7	-166.4	-86.3	155.4	-152	-174.6	-1.5	111.5	W850	W850-R852 VanDerWaalsContact CD1-CD 3.48Å; W850-R852 HydrophobicContact CG-CG 4.38Å; W850-R852 VanDerWaalsContact NE1-CG 3.3Å
853	D	31.4	Very low	31.4	Very low	89 Å²	89	117.8 Å²	117.8	48%	0.476	57%	0.568	S	S	.	*			trans	-150.3	131	-177.9	-166.7	-10.7	0	0	0	110.3	S855 T856	D853-S855 PolarHBondContact O-N 3.43Å; D853-S855 PolarHBondContact OD1-N 3.37Å; D853-S855 PolarHBondContact OD1-OG 2.73Å; D853-S855 PolarHBondContact OD2-OG 3.23Å; D853-T856 HydrophobicContact CB-CG2 4.32Å; D853-T856 PolarHBondContact O-N 3.41Å; D853-T856 VanDerWaalsContact O-N 3.14Å; D853-T856 PolarHBondContact O-OG1 3.16Å
854	L	25.9	Very low	30.6	Very low	146 Å²	146	121.9 Å²	121.9	76%	0.764	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-24.8	173.7	-83.4	152.8	0	0	0	112
855	S	28.9	Very low	30	Very low	41 Å²	41	121.3 Å²	121.3	29%	0.287	59%	0.589	S	S	.	*	H	α-helix	trans	-58.8	-45.6	172.2	67.5	0	0	0	0	112.1	D853 L857 F858 E859	D853-S855 PolarHBondContact O-N 3.43Å; D853-S855 PolarHBondContact OD1-N 3.37Å; D853-S855 PolarHBondContact OD1-OG 2.73Å; D853-S855 PolarHBondContact OD2-OG 3.23Å; S855-L857 VanDerWaalsContact C-N 3.32Å; S855-L857 PolarHBondContact O-N 3.36Å; S855-F858 PolarHBondContact O-N 3.32Å; S855-E859 WeakPolarHBondContact O-CG 3.38Å; S855-E859 PolarHBondContact O-N 2.88Å
856	T	28.6	Very low	29.1	Very low	90 Å²	90	126 Å²	126	55%	0.552	61%	0.611	S	S	*	*	H	α-helix	trans	-72	-17.3	-167.9	56.3	0	0	0	0	115.4	D853	D853-T856 HydrophobicContact CB-CG2 4.32Å; D853-T856 PolarHBondContact O-N 3.41Å; D853-T856 VanDerWaalsContact O-N 3.14Å; D853-T856 PolarHBondContact O-OG1 3.16Å
857	L	28.9	Very low	28.2	Very low	76 Å²	76	122 Å²	122	40%	0.398	59%	0.592	S	S	.	*	H	α-helix	trans	-91	-17.3	177.5	-89.6	164.9	0	0	0	114.1	P851 S855	P851-L857 HydrophobicContact CB-CD1 4.23Å; P851-L857 HydrophobicContact CB-CG 4.39Å; P851-L857 HydrophobicContact CG-CD1 3.88Å; P851-L857 HydrophobicContact CG-CD2 4.42Å; P851-L857 HydrophobicContact CG-CG 4.05Å; S855-L857 VanDerWaalsContact C-N 3.32Å; S855-L857 PolarHBondContact O-N 3.36Å
858	F	26.1	Very low	27.2	Very low	149 Å²	149	120.8 Å²	120.8	65%	0.654	60%	0.6	S	S	*	*	H	α-helix	trans	-132.1	12.1	-169.1	-69.4	-79.2	0	0	0	114.5	S855 R860	S855-F858 PolarHBondContact O-N 3.32Å; F858-R860 VanDerWaalsContact C-N 3.28Å; F858-R860 PolarHBondContact O-N 3.34Å
859	E	25.6	Very low	26.8	Very low	141 Å²	141	125.1 Å²	125.1	66%	0.659	61%	0.609	S	S	*	*	S	Bend	trans	-71.5	69.9	179.6	-105.3	-170.9	-159.4	0	0	114.2	S855 R861	S855-E859 WeakPolarHBondContact O-CG 3.38Å; S855-E859 PolarHBondContact O-N 2.88Å; E859-R861 PolarHBondContact O-N 3.03Å
860	R	25.9	Very low	26.7	Very low	240 Å²	240	121.3 Å²	121.3	91%	0.906	60%	0.604	S	S	*	*	S	Bend	trans	55.6	1.5	166.9	-71.9	-176.9	168.4	-177.9	-2.7	117.6	F858	F858-R860 VanDerWaalsContact C-N 3.28Å; F858-R860 PolarHBondContact O-N 3.34Å
861	R	23.4	Very low	26.4	Very low	212 Å²	212	117.8 Å²	117.8	80%	0.8	61%	0.605	S	S	*	*	S	Bend	trans	-141	129.6	-177.9	-60.1	179.2	179.1	-177.5	-0	105.5	E859	E859-R861 PolarHBondContact O-N 3.03Å
862	G	23	Very low	26.1	Very low	30 Å²	30	116.6 Å²	116.6	31%	0.309	59%	0.594	S	S	.	*			trans	-64.8	173	-175.9	0	0	0	0	0	113	Q864 H894	G862-Q864 PolarHBondContact O-N 3.03Å; G862-H894 WeakPolarHBondContact CA-CE1 3.25Å
863	I	26	Very low	26	Very low	99 Å²	99	111.8 Å²	111.8	51%	0.508	58%	0.582	S	S	.	*			trans	-49.1	110.2	170.4	-61.2	174.8	0	0	0	108	I865	I863-I865 HydrophobicContact CG2-CG1 4.45Å; I863-I865 PolarHBondContact O-N 2.92Å; I863-I865 VanDerWaalsContact O-N 3.09Å
864	Q	25.1	Very low	25.8	Very low	151 Å²	151	111.7 Å²	111.7	71%	0.706	58%	0.578	S	S	*	*			trans	-81.2	94.4	-178.6	-169.9	172.2	-34.4	0	0	107.6	G862 D866	G862-Q864 PolarHBondContact O-N 3.03Å; Q864-D866 PolarHBondContact NE2-OD1 3.13Å; Q864-D866 PolarHBondContact O-N 3.19Å
865	I	27.1	Very low	25.8	Very low	88 Å²	88	111.1 Å²	111.1	45%	0.451	57%	0.573	S	S	.	*			trans	-67.8	100.1	172.7	-58	176.5	0	0	0	106.7	L841 I863 S867	L841-I865 HydrophobicContact CD2-CG2 4.46Å; I863-I865 HydrophobicContact CG2-CG1 4.45Å; I863-I865 PolarHBondContact O-N 2.92Å; I863-I865 VanDerWaalsContact O-N 3.09Å; I865-S867 PolarHBondContact O-N 3.31Å
866	D	25.6	Very low	25.7	Very low	141 Å²	141	113 Å²	113	75%	0.754	58%	0.578	S	S	*	*	S	Bend	trans	-72.5	14	-163.6	-119.1	3.4	0	0	0	114.9	Q864	Q864-D866 PolarHBondContact NE2-OD1 3.13Å; Q864-D866 PolarHBondContact O-N 3.19Å
867	S	24.9	Very low	25.8	Very low	38 Å²	38	109.3 Å²	109.3	27%	0.266	56%	0.555	S	S	.	*			trans	-160	100.1	172.7	178.7	0	0	0	0	112.3	I865 N869 L870	I865-S867 PolarHBondContact O-N 3.31Å; S867-N869 PolarHBondContact O-N 2.87Å; S867-N869 VanDerWaalsContact O-N 3.12Å; S867-N869 PolarHBondContact OG-N 3.47Å; S867-L870 PolarHBondContact O-N 2.89Å; S867-L870 PolarHBondContact OG-N 3.46Å
868	A	22.3	Very low	25.6	Very low	105 Å²	105	107.3 Å²	107.3	87%	0.868	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-2.2	163	0	0	0	0	0	113.3
869	N	23.6	Very low	25.5	Very low	151 Å²	151	107 Å²	107	81%	0.807	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-3.4	-178.3	-65.4	-29	0	0	0	113.2	S867 C871	S867-N869 PolarHBondContact O-N 2.87Å; S867-N869 VanDerWaalsContact O-N 3.12Å; S867-N869 PolarHBondContact OG-N 3.47Å; N869-C871 VanDerWaalsContact C-N 3.34Å; N869-C871 PolarHBondContact O-N 2.79Å
870	L	24.5	Very low	25.5	Very low	124 Å²	124	101.6 Å²	101.6	65%	0.649	53%	0.531	S	S	*	.			trans	-81.1	77.6	178.7	-86	170.9	0	0	0	111.7	S867 L872	S867-L870 PolarHBondContact O-N 2.89Å; S867-L870 PolarHBondContact OG-N 3.46Å; L870-L872 PolarHBondContact O-N 3.07Å; L870-L872 VanDerWaalsContact O-N 3.11Å
871	C	25.1	Very low	25.5	Very low	104 Å²	104	92.8 Å²	92.8	70%	0.703	50%	0.501	S	S	*	.			trans	-66.9	105.8	164.9	-168	0	0	0	0	109.5	N869 L873	N869-C871 VanDerWaalsContact C-N 3.34Å; N869-C871 PolarHBondContact O-N 2.79Å; C871-L873 PolarHBondContact O-N 3.39Å; C871-L873 VanDerWaalsContact O-N 3.1Å
872	L	27.4	Very low	25.6	Very low	52 Å²	52	87.3 Å²	87.3	27%	0.272	50%	0.495	S	S	.	.			trans	-68.6	103.2	170.7	-75.4	169.5	0	0	0	108.9	L837 K840 L870 V877 F909	L837-L872 HydrophobicContact CD1-CD1 3.77Å; L837-L872 HydrophobicContact CG-CD1 4.46Å; K840-L872 HydrophobicContact CD-CD2 3.78Å; L870-L872 PolarHBondContact O-N 3.07Å; L870-L872 VanDerWaalsContact O-N 3.11Å; L872-V877 HydrophobicContact CB-CG2 4.24Å; L872-F909 HydrophobicContact CD1-CE1 4.39Å; L872-F909 HydrophobicContact CD1-CZ 4.36Å
873	L	27.7	Very low	25.8	Very low	81 Å²	81	87.3 Å²	87.3	42%	0.424	49%	0.492	S	S	.	.			trans	-61.6	142	171.6	-58.8	170.4	0	0	0	109.1	C871 M875 Q876	C871-L873 PolarHBondContact O-N 3.39Å; C871-L873 VanDerWaalsContact O-N 3.1Å; L873-M875 HydrophobicContact CD1-CE 4.05Å; L873-M875 PolarHBondContact O-N 3.2Å; L873-M875 VanDerWaalsContact O-N 3.13Å; L873-Q876 HydrophobicContact CB-CG 4.12Å; L873-Q876 WeakPolarHBondContact O-CA 3.41Å; L873-Q876 VanDerWaalsContact O-CB 3.28Å; L873-Q876 WeakPolarHBondContact O-CB 3.39Å; L873-Q876 PolarHBondContact O-N 2.97Å
874	E	26.5	Very low	25.7	Very low	86 Å²	86	88.9 Å²	88.9	40%	0.402	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-54.6	-35.3	177.7	-165.3	173.6	-167.1	0	0	111.4	L654 Q876 V877 G878	L654-E874 HydrophobicContact CD2-CB 3.67Å; L654-E874 HydrophobicContact CD2-CG 4.44Å; E874-Q876 PolarHBondContact O-N 3.12Å; E874-Q876 VanDerWaalsContact O-N 3.12Å; E874-V877 PolarHBondContact O-N 3.15Å; E874-G878 PolarHBondContact O-N 3.01Å
875	M	25.5	Very low	25.8	Very low	134 Å²	134	89 Å²	89	66%	0.66	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-55.1	-27.2	171	-46	-168.6	-46.5	0	0	114.6	L654 L873	L654-M875 HydrophobicContact CD1-CG 3.95Å; L654-M875 HydrophobicContact CD1-SD 3.92Å; L654-M875 HydrophobicContact CD2-CG 3.88Å; L873-M875 HydrophobicContact CD1-CE 4.05Å; L873-M875 PolarHBondContact O-N 3.2Å; L873-M875 VanDerWaalsContact O-N 3.13Å
876	Q	27.9	Very low	25.6	Very low	82 Å²	82	87.9 Å²	87.9	38%	0.383	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-93	-7.9	-178.6	-65.4	-178.1	8	0	0	113.8	L873 E874	L873-Q876 HydrophobicContact CB-CG 4.12Å; L873-Q876 WeakPolarHBondContact O-CA 3.41Å; L873-Q876 VanDerWaalsContact O-CB 3.28Å; L873-Q876 WeakPolarHBondContact O-CB 3.39Å; L873-Q876 PolarHBondContact O-N 2.97Å; E874-Q876 PolarHBondContact O-N 3.12Å; E874-Q876 VanDerWaalsContact O-N 3.12Å
877	V	29.6	Very low	25.7	Very low	12 Å²	12	83.3 Å²	83.3	7%	0.073	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-14.3	176.8	-162.3	0	0	0	0	111	E833 L872 E874 L881	E833-V877 HydrophobicContact CB-CG1 4.49Å; E833-V877 WeakPolarHBondContact CG-O 3.17Å; L872-V877 HydrophobicContact CB-CG2 4.24Å; E874-V877 PolarHBondContact O-N 3.15Å; V877-L881 HydrophobicContact CB-CD1 4.05Å; V877-L881 HydrophobicContact CG1-CD1 3.92Å; V877-L881 HydrophobicContact CG1-CG 4.05Å; V877-L881 HydrophobicContact CG2-CD1 4.44Å
878	G	25	Very low	25.7	Very low	33 Å²	33	82.3 Å²	82.3	34%	0.34	47%	0.467	S	S	.	.			trans	80.2	167.7	-178.6	0	0	0	0	0	112.6	E874 S880	E874-G878 PolarHBondContact O-N 3.01Å; G878-S880 PolarHBondContact O-N 2.85Å
879	E	24.3	Very low	26	Very low	142 Å²	142	85.1 Å²	85.1	66%	0.664	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-62.3	-8.4	-177.8	-61.2	-178.3	133.9	0	0	113.7	L881 S882	E879-L881 PolarHBondContact O-N 3.27Å; E879-L881 VanDerWaalsContact O-N 3.15Å; E879-S882 WeakPolarHBondContact O-CB 3.36Å; E879-S882 PolarHBondContact O-N 3Å; E879-S882 PolarHBondContact O-OG 2.93Å
880	S	26.2	Very low	26.1	Very low	29 Å²	29	79.4 Å²	79.4	20%	0.203	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-59.7	-22	-176.5	-49.7	0	0	0	0	115	E833 G878 S882 A883	E833-S880 WeakPolarHBondContact OE1-CB 3.34Å; E833-S880 PolarHBondContact OE1-OG 3.23Å; G878-S880 PolarHBondContact O-N 2.85Å; S880-S882 PolarHBondContact O-N 3.24Å; S880-A883 WeakPolarHBondContact O-CB 3.25Å; S880-A883 PolarHBondContact O-N 3.01Å
881	L	25.5	Very low	26.3	Very low	55 Å²	55	79.4 Å²	79.4	29%	0.288	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-69.1	-16.2	170.5	-70.2	176	0	0	0	113.3	V877 E879 V887	V877-L881 HydrophobicContact CB-CD1 4.05Å; V877-L881 HydrophobicContact CG1-CD1 3.92Å; V877-L881 HydrophobicContact CG1-CG 4.05Å; V877-L881 HydrophobicContact CG2-CD1 4.44Å; E879-L881 PolarHBondContact O-N 3.27Å; E879-L881 VanDerWaalsContact O-N 3.15Å; L881-V887 HydrophobicContact CD2-CG1 4.18Å
882	S	26	Very low	26.3	Very low	96 Å²	96	78.1 Å²	78.1	67%	0.671	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-97	-7.1	174.6	76.3	0	0	0	0	113.8	E879 S880 R884	E879-S882 WeakPolarHBondContact O-CB 3.36Å; E879-S882 PolarHBondContact O-N 3Å; E879-S882 PolarHBondContact O-OG 2.93Å; S880-S882 PolarHBondContact O-N 3.24Å; S882-R884 PolarHBondContact O-N 3.22Å
883	A	25.5	Very low	26.3	Very low	30 Å²	30	81.8 Å²	81.8	25%	0.248	43%	0.425	C	S	.	.	S	Bend	trans	-74.3	117.2	179.2	0	0	0	0	0	110.8	S880 N885 C886	S880-A883 WeakPolarHBondContact O-CB 3.25Å; S880-A883 PolarHBondContact O-N 3.01Å; A883-N885 PolarHBondContact O-N 3.24Å; A883-C886 HydrophobicContact CB-CB 4.23Å; A883-C886 PolarHBondContact O-N 2.98Å; A883-C886 VanDerWaalsContact O-N 3.13Å
884	R	25.5	Very low	26.3	Very low	133 Å²	133	81.1 Å²	81.1	50%	0.502	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	1.6	-164.5	-153.9	171.4	173.5	-155.6	-15.2	116.7	M194 E196 D197 S882	M194-R884 PolarHBondContact O-NH1 3.03Å; E196-R884 PolarHBondContact O-NH1 2.94Å; E196-R884 VanDerWaalsContact O-NH1 3.1Å; D197-R884 IonicContact OD1-CZ 3.16Å; D197-R884 IonicContact OD1-NH1 3.17Å; D197-R884 IonicContact OD1-NH2 3.98Å; D197-R884 PolarHBondContact OD1-NH2 2.87Å; S882-R884 PolarHBondContact O-N 3.22Å
885	N	25.6	Very low	26.3	Very low	154 Å²	154	82 Å²	82	82%	0.824	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.2	1.7	176.6	-83.6	-37.2	0	0	0	115.6	A883	A883-N885 PolarHBondContact O-N 3.24Å
886	C	24.3	Very low	26.6	Very low	64 Å²	64	77.2 Å²	77.2	43%	0.432	40%	0.397	S	S	.	.			trans	-120.3	25.6	-166	-58.1	0	0	0	0	115.4	A883 P888	A883-C886 HydrophobicContact CB-CB 4.23Å; A883-C886 PolarHBondContact O-N 2.98Å; A883-C886 VanDerWaalsContact O-N 3.13Å; C886-P888 WeakPolarHBondContact O-CD 3.42Å
887	V	26.5	Very low	26.5	Very low	44 Å²	44	77.1 Å²	77.1	27%	0.267	42%	0.417	S	S	.	.			trans	-71.8	120.3	-178.8	-178	0	0	0	0	110.9	L881 R889	L881-V887 HydrophobicContact CD2-CG1 4.18Å; V887-R889 PolarHBondContact O-N 2.97Å; V887-R889 VanDerWaalsContact O-N 3.16Å
888	P	25.9	Very low	26.5	Very low	18 Å²	18	83.8 Å²	83.8	12%	0.117	45%	0.448	C	S	.	.			trans	-71.5	109.3	179.3	27.5	-33.2	0	0	0	112	I834 C886 A890	I834-P888 HydrophobicContact CD1-CB 3.87Å; I834-P888 HydrophobicContact CG1-CB 3.32Å; I834-P888 HydrophobicContact CG1-CG 4.41Å; C886-P888 WeakPolarHBondContact O-CD 3.42Å; P888-A890 PolarHBondContact O-N 3.39Å
889	R	28.1	Very low	26.5	Very low	163 Å²	163	84.1 Å²	84.1	62%	0.615	45%	0.451	S	S	*	.			trans	-88.4	101.8	175.8	-58.5	179.9	-168.8	176.7	3.3	110.1	V887 H918	V887-R889 PolarHBondContact O-N 2.97Å; V887-R889 VanDerWaalsContact O-N 3.16Å; R889-H918 PolarHBondContact NH2-NE2 3.35Å
890	A	26.2	Very low	26.5	Very low	32 Å²	32	83.4 Å²	83.4	26%	0.264	45%	0.446	S	S	.	.			trans	-102.5	114.8	167.3	0	0	0	0	0	109.5	P888 F892	P888-A890 PolarHBondContact O-N 3.39Å; A890-F892 HydrophobicContact CB-CE2 3.93Å; A890-F892 HydrophobicContact CB-CZ 4.21Å
891	I	27.6	Very low	26.6	Very low	123 Å²	123	89 Å²	89	63%	0.631	46%	0.462	S	S	*	.			trans	-106	114.9	170.9	-56.8	176.3	0	0	0	107.2	F893	I891-F893 HydrophobicContact CB-CE2 4.47Å; I891-F893 HydrophobicContact CB-CZ 4.23Å; I891-F893 HydrophobicContact CG2-CD1 4.1Å; I891-F893 HydrophobicContact CG2-CE1 3.5Å; I891-F893 HydrophobicContact CG2-CE2 4.04Å; I891-F893 HydrophobicContact CG2-CZ 3.47Å; I891-F893 VanDerWaalsContact CG2-CZ 3.47Å
892	F	26.5	Very low	26.6	Very low	77 Å²	77	89.7 Å²	89.7	34%	0.338	47%	0.466	S	S	.	.			trans	-92.1	126.9	174.4	-64.8	-77.9	0	0	0	109.7	L841 I843 A890	L841-F892 HydrophobicContact CD1-CE2 4.25Å; L841-F892 HydrophobicContact CD1-CZ 3.92Å; I843-F892 HydrophobicContact CD1-CE1 3.63Å; I843-F892 HydrophobicContact CD1-CZ 3.9Å; A890-F892 HydrophobicContact CB-CE2 3.93Å; A890-F892 HydrophobicContact CB-CZ 4.21Å
893	F	27.1	Very low	26.7	Very low	130 Å²	130	91 Å²	91	57%	0.57	47%	0.473	S	S	*	.			trans	-104.6	131	176.4	-60.9	-65.7	0	0	0	110.2	I891 W901	I891-F893 HydrophobicContact CB-CE2 4.47Å; I891-F893 HydrophobicContact CB-CZ 4.23Å; I891-F893 HydrophobicContact CG2-CD1 4.1Å; I891-F893 HydrophobicContact CG2-CE1 3.5Å; I891-F893 HydrophobicContact CG2-CE2 4.04Å; I891-F893 HydrophobicContact CG2-CZ 3.47Å; I891-F893 VanDerWaalsContact CG2-CZ 3.47Å; F893-W901 HydrophobicContact CD1-CE3 4.34Å; F893-W901 HydrophobicContact CD1-CH2 4.07Å; F893-W901 AromaticContact CD1-CZ3 3.42Å; F893-W901 HydrophobicContact CD1-CZ3 3.42Å; F893-W901 VanDerWaalsContact CD1-CZ3 3.42Å; F893-W901 HydrophobicContact CE1-CH2 4.22Å; F893-W901 AromaticContact CE1-CZ3 3.67Å; F893-W901 HydrophobicContact CE1-CZ3 3.67Å; F893-W901 HydrophobicContact CG-CH2 4.37Å; F893-W901 HydrophobicContact CG-CZ3 4.08Å
894	H	28	Very low	26.7	Very low	67 Å²	67	98.9 Å²	98.9	31%	0.31	50%	0.496	S	S	.	.			trans	-112.6	126.3	172	-175.6	46.2	0	0	0	110	G862	G862-H894 WeakPolarHBondContact CA-CE1 3.25Å
895	Y	26.3	Very low	26.7	Very low	103 Å²	103	99.7 Å²	99.7	40%	0.404	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-89.6	136.2	168.4	-73.9	-84.8	0	0	0	109.7
896	D	30.2	Very low	26.7	Very low	35 Å²	35	96.9 Å²	96.9	19%	0.187	50%	0.503	C	S	.	.			trans	-71.6	165.3	165	89.2	-8.8	0	0	0	111.1	Q898 G899 K900 L902	D896-Q898 PolarHBondContact O-N 2.69Å; D896-Q898 VanDerWaalsContact OD1-C 3.27Å; D896-Q898 VanDerWaalsContact OD1-CA 3.25Å; D896-Q898 WeakPolarHBondContact OD1-CA 3.37Å; D896-Q898 WeakPolarHBondContact OD1-CB 3.42Å; D896-Q898 PolarHBondContact OD1-N 3.01Å; D896-G899 PolarHBondContact O-N 3.06Å; D896-G899 PolarHBondContact OD1-N 3.43Å; D896-K900 PolarHBondContact N-O 3.24Å; D896-K900 VanDerWaalsContact N-O 3.08Å; D896-K900 PolarHBondContact OD1-N 3.29Å; D896-L902 HydrophobicContact CB-CD1 3.55Å; D896-L902 HydrophobicContact CB-CG 3.88Å
897	G	26.8	Very low	26.7	Very low	79 Å²	79	97.6 Å²	97.6	81%	0.814	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	4	178.4	0	0	0	0	0	115.3
898	Q	28.7	Very low	26.7	Very low	153 Å²	153	99.2 Å²	99.2	72%	0.715	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	2.2	173.5	-55.8	-169	-6.2	0	0	112.3	D896 K900	D896-Q898 PolarHBondContact O-N 2.69Å; D896-Q898 VanDerWaalsContact OD1-C 3.27Å; D896-Q898 VanDerWaalsContact OD1-CA 3.25Å; D896-Q898 WeakPolarHBondContact OD1-CA 3.37Å; D896-Q898 WeakPolarHBondContact OD1-CB 3.42Å; D896-Q898 PolarHBondContact OD1-N 3.01Å; Q898-K900 PolarHBondContact O-N 3.03Å
899	G	25.6	Very low	26.6	Very low	39 Å²	39	101.3 Å²	101.3	40%	0.402	53%	0.528	S	S	.	.	S	Bend	trans	72.1	15.3	-175.4	0	0	0	0	0	113.8	D896	D896-G899 PolarHBondContact O-N 3.06Å; D896-G899 PolarHBondContact OD1-N 3.43Å
900	K	25.2	Very low	26.4	Very low	128 Å²	128	95.1 Å²	95.1	56%	0.557	52%	0.515	S	S	*	.			trans	-79.5	144.6	165.8	-76.1	175.2	173.3	173.8	0	109.5	D896 Q898 L902	D896-K900 PolarHBondContact N-O 3.24Å; D896-K900 VanDerWaalsContact N-O 3.08Å; D896-K900 PolarHBondContact OD1-N 3.29Å; Q898-K900 PolarHBondContact O-N 3.03Å; K900-L902 PolarHBondContact O-N 2.92Å
901	W	26.8	Very low	26.3	Very low	145 Å²	145	94.4 Å²	94.4	55%	0.549	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-68.7	115.5	169.4	-75.6	73.6	0	0	0	109.3	F893	F893-W901 HydrophobicContact CD1-CE3 4.34Å; F893-W901 HydrophobicContact CD1-CH2 4.07Å; F893-W901 AromaticContact CD1-CZ3 3.42Å; F893-W901 HydrophobicContact CD1-CZ3 3.42Å; F893-W901 VanDerWaalsContact CD1-CZ3 3.42Å; F893-W901 HydrophobicContact CE1-CH2 4.22Å; F893-W901 AromaticContact CE1-CZ3 3.67Å; F893-W901 HydrophobicContact CE1-CZ3 3.67Å; F893-W901 HydrophobicContact CG-CH2 4.37Å; F893-W901 HydrophobicContact CG-CZ3 4.08Å
902	L	26.3	Very low	26.2	Very low	70 Å²	70	93.1 Å²	93.1	37%	0.366	51%	0.51	S	S	.	.			trans	-112.9	100.8	167.1	-77.3	-174.9	0	0	0	109.1	D896 K900 R904	D896-L902 HydrophobicContact CB-CD1 3.55Å; D896-L902 HydrophobicContact CB-CG 3.88Å; K900-L902 PolarHBondContact O-N 2.92Å; L902-R904 PolarHBondContact O-N 3.07Å
903	P	28.5	Very low	26.3	Very low	125 Å²	125	97.7 Å²	97.7	81%	0.812	53%	0.525	S	S	*	.			trans	-69.8	86.3	168.1	30.2	-32.6	0	0	0	108.6
904	R	26	Very low	26.3	Very low	195 Å²	195	95.6 Å²	95.6	74%	0.736	52%	0.517	S	S	*	.			trans	-84.7	-33	-179.1	-99.1	-173.2	169.4	-170.8	-4.6	113.9	L902	L902-R904 PolarHBondContact O-N 3.07Å
905	E	24.5	Very low	26.2	Very low	150 Å²	150	98.8 Å²	98.8	70%	0.701	54%	0.535	S	S	*	.			trans	-155.1	119.2	175.7	-112.2	170.6	166.4	0	0	109.6
906	A	25.7	Very low	26.2	Very low	95 Å²	95	97.9 Å²	97.9	79%	0.785	53%	0.534	S	S	*	.			trans	-102.6	96	167.3	0	0	0	0	0	107.8	A908	A906-A908 PolarHBondContact O-N 2.82Å
907	I	25	Very low	26.1	Very low	78 Å²	78	101.9 Å²	101.9	40%	0.4	56%	0.555	S	S	.	*			trans	-75	80.8	172	-52.1	-179.6	0	0	0	107.9	F909	I907-F909 HydrophobicContact CB-CE2 4.31Å; I907-F909 HydrophobicContact CG2-CD2 3.95Å; I907-F909 HydrophobicContact CG2-CE2 3.47Å; I907-F909 VanDerWaalsContact CG2-CE2 3.47Å; I907-F909 HydrophobicContact CG2-CZ 3.83Å; I907-F909 PolarHBondContact O-N 2.84Å
908	A	25.3	Very low	26.1	Very low	79 Å²	79	100.7 Å²	100.7	65%	0.653	53%	0.528	S	S	*	.			trans	-69.4	99.9	172.5	0	0	0	0	0	109.1	A906 G910	A906-A908 PolarHBondContact O-N 2.82Å; A908-G910 WeakPolarHBondContact CB-O 3.29Å; A908-G910 PolarHBondContact O-N 2.89Å
909	F	23.9	Very low	26	Very low	62 Å²	62	97 Å²	97	27%	0.272	52%	0.518	S	S	.	.	S	Bend	trans	-71	66	162.6	-71.5	-83.4	0	0	0	109.4	L837 L872 I907	L837-F909 HydrophobicContact CD1-CE1 4.46Å; L837-F909 HydrophobicContact CD1-CZ 4.31Å; L837-F909 HydrophobicContact CD2-CE2 3.9Å; L837-F909 HydrophobicContact CD2-CZ 4.01Å; L872-F909 HydrophobicContact CD1-CE1 4.39Å; L872-F909 HydrophobicContact CD1-CZ 4.36Å; I907-F909 HydrophobicContact CB-CE2 4.31Å; I907-F909 HydrophobicContact CG2-CD2 3.95Å; I907-F909 HydrophobicContact CG2-CE2 3.47Å; I907-F909 VanDerWaalsContact CG2-CE2 3.47Å; I907-F909 HydrophobicContact CG2-CZ 3.83Å; I907-F909 PolarHBondContact O-N 2.84Å
910	G	24.8	Very low	26	Very low	33 Å²	33	95.3 Å²	95.3	34%	0.34	50%	0.501	S	S	.	.	S	Bend	trans	159.6	136.7	-174.2	0	0	0	0	0	112	A908	A908-G910 WeakPolarHBondContact CB-O 3.29Å; A908-G910 PolarHBondContact O-N 2.89Å
911	G	24	Very low	26.2	Very low	17 Å²	17	94.3 Å²	94.3	18%	0.175	50%	0.498	C	S	.	.			trans	-75.7	154.7	-180	0	0	0	0	0	112.7	W913 Q914	G911-W913 PolarHBondContact O-N 2.97Å; G911-Q914 WeakPolarHBondContact O-CB 3.46Å; G911-Q914 PolarHBondContact O-N 2.9Å
912	P	24.8	Very low	26.2	Very low	95 Å²	95	89.9 Å²	89.9	62%	0.617	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.4	-172	19.8	-32.6	0	0	0	115.1	Q914 L915 F916	P912-Q914 VanDerWaalsContact C-N 3.29Å; P912-Q914 PolarHBondContact O-N 3.43Å; P912-L915 PolarHBondContact O-N 2.93Å; P912-F916 WeakPolarHBondContact O-CD2 3.31Å
913	W	28.3	Very low	26.3	Very low	174 Å²	174	88.7 Å²	88.7	66%	0.659	48%	0.479	S	S	*	.	H	α-helix	trans	-62.4	-30.4	172.8	48	92.7	0	0	0	113.7	G911 L915 F916 D917	G911-W913 PolarHBondContact O-N 2.97Å; W913-L915 PolarHBondContact O-N 3.25Å; W913-F916 PolarHBondContact O-N 3.34Å; W913-F916 VanDerWaalsContact O-N 3.09Å; W913-D917 PolarHBondContact O-N 2.9Å
914	Q	26.9	Very low	26.3	Very low	85 Å²	85	84.8 Å²	84.8	40%	0.397	45%	0.453	S	S	.	.	H	α-helix	trans	-70.5	-17.7	-177.2	-71.5	166.2	-56.2	0	0	113.7	G911 P912	G911-Q914 WeakPolarHBondContact O-CB 3.46Å; G911-Q914 PolarHBondContact O-N 2.9Å; P912-Q914 VanDerWaalsContact C-N 3.29Å; P912-Q914 PolarHBondContact O-N 3.43Å
915	L	26.3	Very low	26.5	Very low	134 Å²	134	82 Å²	82	70%	0.702	45%	0.448	S	S	*	.	H	α-helix	trans	-78.9	-30.4	171.1	-112.2	136.4	0	0	0	112.3	P912 W913	P912-L915 PolarHBondContact O-N 2.93Å; W913-L915 PolarHBondContact O-N 3.25Å
916	F	26.7	Very low	26.5	Very low	85 Å²	85	77 Å²	77	37%	0.373	42%	0.423	S	S	.	.	H	α-helix	trans	-85.3	-31.4	-177.2	-76.9	-83.9	0	0	0	113.6	P912 W913 H918 C919 G920 F955	P912-F916 WeakPolarHBondContact O-CD2 3.31Å; W913-F916 PolarHBondContact O-N 3.34Å; W913-F916 VanDerWaalsContact O-N 3.09Å; F916-H918 VanDerWaalsContact C-N 3.27Å; F916-H918 PolarHBondContact O-N 2.99Å; F916-C919 PolarHBondContact O-N 3.32Å; F916-G920 PolarHBondContact O-N 2.9Å; F916-G920 VanDerWaalsContact O-N 3.11Å; F916-F955 HydrophobicContact CB-CE1 4.35Å; F916-F955 HydrophobicContact CD1-CZ 4.36Å
917	D	27.9	Very low	26.7	Very low	118 Å²	118	74.4 Å²	74.4	63%	0.631	39%	0.393	S	S	*	.	H	α-helix	trans	-62	-35.8	171.2	-81.2	-23.5	0	0	0	111.6	W913 G920 H921	W913-D917 PolarHBondContact O-N 2.9Å; D917-G920 PolarHBondContact O-N 3.29Å; D917-H921 PolarHBondContact O-N 2.82Å
918	H	26.7	Very low	26.8	Very low	55 Å²	55	75.8 Å²	75.8	26%	0.255	39%	0.393	S	S	.	.	H	α-helix	trans	-62.9	-42.2	175.8	-103.3	-82.3	0	0	0	113.2	H789 R889 F916 H921 Y922	H789-H918 AromaticContact CE1-CE1 3.83Å; R889-H918 PolarHBondContact NH2-NE2 3.35Å; F916-H918 VanDerWaalsContact C-N 3.27Å; F916-H918 PolarHBondContact O-N 2.99Å; H918-H921 PolarHBondContact O-N 2.89Å; H918-Y922 PolarHBondContact O-N 3Å
919	C	26.5	Very low	27	Very low	74 Å²	74	75.3 Å²	75.3	50%	0.5	39%	0.386	S	S	.	.	H	α-helix	trans	-67.5	-36.5	175.6	-65.7	0	0	0	0	112.1	F916 S923	F916-C919 PolarHBondContact O-N 3.32Å; C919-S923 PolarHBondContact O-N 3.46Å
920	G	26.8	Very low	27.2	Very low	4 Å²	4	75.7 Å²	75.7	4%	0.041	40%	0.396	C	S	.	.	H	α-helix	trans	-66.1	-36.9	175.5	0	0	0	0	0	113.4	Y701 F916 D917 S923	Y701-G920 PolarHBondContact OH-O 2.68Å; F916-G920 PolarHBondContact O-N 2.9Å; F916-G920 VanDerWaalsContact O-N 3.11Å; D917-G920 PolarHBondContact O-N 3.29Å; G920-S923 PolarHBondContact O-OG 2.95Å
921	H	29.4	Very low	27.2	Very low	107 Å²	107	77.8 Å²	77.8	50%	0.495	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-52.1	180	-163.4	80.2	0	0	0	111.8	D917 H918 S923 T924	D917-H921 PolarHBondContact O-N 2.82Å; H918-H921 PolarHBondContact O-N 2.89Å; H921-S923 PolarHBondContact O-N 2.89Å; H921-T924 PolarHBondContact O-N 3.41Å; H921-T924 PolarHBondContact O-OG1 3.24Å
922	Y	26.9	Very low	27.5	Very low	53 Å²	53	79.7 Å²	79.7	21%	0.208	43%	0.428	C	S	.	.	H	α-helix	trans	-74.9	-23	-177.3	-87.9	-92.2	0	0	0	115	G781 I784 P785 H918 T924 H925 Y926	G781-Y922 VanDerWaalsContact O-CD1 3.28Å; G781-Y922 WeakPolarHBondContact O-CD1 3.43Å; I784-Y922 HydrophobicContact CB-CE1 3.95Å; I784-Y922 WeakPolarHBondContact CB-OH 3.41Å; I784-Y922 HydrophobicContact CG2-CE1 4.37Å; I784-Y922 WeakPolarHBondContact CG2-OH 3.46Å; P785-Y922 HydrophobicContact CB-CD2 3.53Å; P785-Y922 HydrophobicContact CB-CE2 3.51Å; P785-Y922 HydrophobicContact CB-CG 4.16Å; P785-Y922 HydrophobicContact CG-CD1 4.13Å; P785-Y922 HydrophobicContact CG-CD2 3.76Å; P785-Y922 HydrophobicContact CG-CE1 4.3Å; P785-Y922 HydrophobicContact CG-CE2 3.94Å; P785-Y922 HydrophobicContact CG-CG 3.86Å; H918-Y922 PolarHBondContact O-N 3Å; Y922-T924 PolarHBondContact O-N 3.23Å; Y922-T924 VanDerWaalsContact O-N 3.11Å; Y922-H925 PolarHBondContact O-N 2.99Å; Y922-Y926 PolarHBondContact O-N 3.05Å
923	S	26.3	Very low	27.7	Very low	44 Å²	44	77.8 Å²	77.8	31%	0.308	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-19.7	174	77.4	0	0	0	0	113.9	C919 G920 H921 Y927	C919-S923 PolarHBondContact O-N 3.46Å; G920-S923 PolarHBondContact O-OG 2.95Å; H921-S923 PolarHBondContact O-N 2.89Å; S923-Y927 VanDerWaalsContact O-CD2 3.27Å; S923-Y927 WeakPolarHBondContact O-CD2 3.48Å
924	T	29.8	Very low	27.8	Very low	44 Å²	44	75.3 Å²	75.3	27%	0.27	42%	0.415	S	S	.	.	H	α-helix	trans	-99	-23.7	-176.6	63.9	0	0	0	0	114.8	Y701 H921 Y922 R928	Y701-T924 HydrophobicContact CE2-CG2 3.73Å; H921-T924 PolarHBondContact O-N 3.41Å; H921-T924 PolarHBondContact O-OG1 3.24Å; Y922-T924 PolarHBondContact O-N 3.23Å; Y922-T924 VanDerWaalsContact O-N 3.11Å; T924-R928 WeakPolarHBondContact O-CD 3.38Å
925	H	28.9	Very low	27.8	Very low	135 Å²	135	73.4 Å²	73.4	63%	0.625	41%	0.413	S	S	*	.	H	α-helix	trans	-80.9	-40	176.1	-92.9	46.3	0	0	0	112.2	Y922	Y922-H925 PolarHBondContact O-N 2.99Å
926	Y	26.2	Very low	27.9	Very low	46 Å²	46	69.6 Å²	69.6	18%	0.18	39%	0.392	C	S	.	.	H	α-helix	trans	-81.3	-41.5	-174.2	-119.6	-61.1	0	0	0	114.7	K777 D780 G781 Y922 R928 S929	K777-Y926 VanDerWaalsContact C-CE1 3.49Å; K777-Y926 VanDerWaalsContact C-CZ 3.41Å; K777-Y926 HydrophobicContact CB-CD1 4.02Å; K777-Y926 HydrophobicContact CB-CE1 3.27Å; K777-Y926 HydrophobicContact CD-CE1 3.74Å; K777-Y926 HydrophobicContact CG-CD1 4.49Å; K777-Y926 HydrophobicContact CG-CE1 3.43Å; K777-Y926 VanDerWaalsContact CG-CE1 3.43Å; K777-Y926 PolarHBondContact N-OH 3.48Å; K777-Y926 WeakPolarHBondContact O-CE1 3.33Å; K777-Y926 WeakPolarHBondContact O-CE2 3.49Å; K777-Y926 PolarHBondContact O-OH 3.41Å; K777-Y926 VanDerWaalsContact O-OH 3.07Å; D780-Y926 HydrophobicContact CB-CE2 4.31Å; G781-Y926 VanDerWaalsContact CA-CD2 3.44Å; Y922-Y926 PolarHBondContact O-N 3.05Å; Y926-R928 VanDerWaalsContact C-N 3.26Å; Y926-R928 PolarHBondContact O-N 2.62Å; Y926-S929 PolarHBondContact O-N 3.49Å; Y926-S929 PolarHBondContact O-OG 3.08Å
927	Y	29	Very low	28	Very low	40 Å²	40	70.1 Å²	70.1	16%	0.157	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-70.6	-15	-172.5	-80.4	-50.2	0	0	0	115.8	S923 S929 S930 G931 S932 A935 H936	S923-Y927 VanDerWaalsContact O-CD2 3.27Å; S923-Y927 WeakPolarHBondContact O-CD2 3.48Å; Y927-S929 PolarHBondContact O-N 3.36Å; Y927-S929 VanDerWaalsContact O-N 3.1Å; Y927-S930 PolarHBondContact O-N 3.02Å; Y927-G931 PolarHBondContact O-N 3.41Å; Y927-S932 VanDerWaalsContact CE1-C 3.46Å; Y927-S932 WeakPolarHBondContact CE1-O 3.17Å; Y927-S932 VanDerWaalsContact CZ-O 3.26Å; Y927-S932 PolarHBondContact OH-O 3.45Å; Y927-A935 WeakPolarHBondContact OH-CB 3.2Å; Y927-H936 HydrophobicContact CE2-CB 4.47Å; Y927-H936 AromaticContact CE2-ND1 3.44Å; Y927-H936 WeakPolarHBondContact CE2-ND1 3.33Å; Y927-H936 AromaticContact CZ-CE1 3.99Å; Y927-H936 AromaticContact CZ-CG 4Å; Y927-H936 AromaticContact CZ-ND1 3.57Å; Y927-H936 PolarHBondContact OH-N 2.95Å; Y927-H936 PolarHBondContact OH-ND1 3.08Å
928	R	28.4	Very low	28.2	Very low	107 Å²	107	71 Å²	71	40%	0.404	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-65.1	-9.9	176.1	-77.8	179	172.5	156	-5.1	114.7	T924 Y926	T924-R928 WeakPolarHBondContact O-CD 3.38Å; Y926-R928 VanDerWaalsContact C-N 3.26Å; Y926-R928 PolarHBondContact O-N 2.62Å
929	S	28.5	Very low	28.3	Very low	70 Å²	70	73 Å²	73	49%	0.49	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-124.3	7.6	-179.9	68	0	0	0	0	114.9	K777 Y926 Y927	K777-S929 PolarHBondContact NZ-OG 3.21Å; Y926-S929 PolarHBondContact O-N 3.49Å; Y926-S929 PolarHBondContact O-OG 3.08Å; Y927-S929 PolarHBondContact O-N 3.36Å; Y927-S929 VanDerWaalsContact O-N 3.1Å
930	S	27.7	Very low	28.4	Very low	69 Å²	69	73.8 Å²	73.8	48%	0.483	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144	1	-177.2	60.2	0	0	0	0	115.8	Y927 S932	Y927-S930 PolarHBondContact O-N 3.02Å; S930-S932 VanDerWaalsContact C-N 3.34Å; S930-S932 PolarHBondContact O-N 3.13Å; S930-S932 VanDerWaalsContact O-N 3.1Å
931	G	26.3	Very low	28.5	Very low	78 Å²	78	79.9 Å²	79.9	80%	0.804	44%	0.436	S	S	*	.			trans	68.4	12.6	157.4	0	0	0	0	0	118.5	Y927	Y927-G931 PolarHBondContact O-N 3.41Å
932	S	28.4	Very low	28.4	Very low	57 Å²	57	83.8 Å²	83.8	40%	0.399	45%	0.446	S	S	.	.			trans	-141	75.4	-173.8	-171.2	0	0	0	0	114.5	Y927 S930 M934 A935	Y927-S932 VanDerWaalsContact CE1-C 3.46Å; Y927-S932 WeakPolarHBondContact CE1-O 3.17Å; Y927-S932 VanDerWaalsContact CZ-O 3.26Å; Y927-S932 PolarHBondContact OH-O 3.45Å; S930-S932 VanDerWaalsContact C-N 3.34Å; S930-S932 PolarHBondContact O-N 3.13Å; S930-S932 VanDerWaalsContact O-N 3.1Å; S932-M934 PolarHBondContact O-N 2.74Å; S932-A935 PolarHBondContact O-N 3.01Å
933	S	29.4	Very low	28.3	Very low	55 Å²	55	86 Å²	86	39%	0.385	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-7.9	173.1	63.4	0	0	0	0	114.5	A935 Y959	S933-A935 VanDerWaalsContact C-N 3.3Å; S933-A935 PolarHBondContact O-N 3.45Å; S933-Y959 VanDerWaalsContact CB-OH 3.28Å; S933-Y959 WeakPolarHBondContact CB-OH 3.46Å; S933-Y959 PolarHBondContact OG-OH 3.04Å
934	M	31.2	Very low	28.1	Very low	122 Å²	122	85.6 Å²	85.6	60%	0.601	46%	0.46	S	S	*	.	H	α-helix	trans	-64.8	-26	175.6	-150	91.3	76	0	0	113.8	S932 K938	S932-M934 PolarHBondContact O-N 2.74Å; M934-K938 HydrophobicContact CG-CD 4.3Å; M934-K938 WeakPolarHBondContact O-CB 3.31Å; M934-K938 WeakPolarHBondContact O-CG 3.44Å; M934-K938 PolarHBondContact O-N 3.05Å
935	A	26.7	Very low	27.8	Very low	44 Å²	44	87.3 Å²	87.3	36%	0.364	47%	0.47	S	S	.	.	H	α-helix	trans	-75	-44	-167.3	0	0	0	0	0	113.9	Y927 S932 S933 K938 M939	Y927-A935 WeakPolarHBondContact OH-CB 3.2Å; S932-A935 PolarHBondContact O-N 3.01Å; S933-A935 VanDerWaalsContact C-N 3.3Å; S933-A935 PolarHBondContact O-N 3.45Å; A935-K938 PolarHBondContact O-N 2.86Å; A935-M939 WeakPolarHBondContact O-CG 3.35Å; A935-M939 PolarHBondContact O-N 3.46Å
936	H	28	Very low	27.5	Very low	55 Å²	55	85.4 Å²	85.4	26%	0.255	47%	0.468	S	S	.	.	H	α-helix	trans	-72.2	-33.4	179.8	-69.8	152.2	0	0	0	112.9	Y927 M939 I940	Y927-H936 HydrophobicContact CE2-CB 4.47Å; Y927-H936 AromaticContact CE2-ND1 3.44Å; Y927-H936 WeakPolarHBondContact CE2-ND1 3.33Å; Y927-H936 AromaticContact CZ-CE1 3.99Å; Y927-H936 AromaticContact CZ-CG 4Å; Y927-H936 AromaticContact CZ-ND1 3.57Å; Y927-H936 PolarHBondContact OH-N 2.95Å; Y927-H936 PolarHBondContact OH-ND1 3.08Å; H936-M939 PolarHBondContact O-N 3.15Å; H936-I940 VanDerWaalsContact O-CG1 3.3Å; H936-I940 WeakPolarHBondContact O-CG1 3.08Å; H936-I940 PolarHBondContact O-N 2.75Å
937	I	28.7	Very low	27.5	Very low	96 Å²	96	86.2 Å²	86.2	49%	0.492	48%	0.478	S	S	.	.	H	α-helix	trans	-62.9	-48.9	172.9	-63.4	177.2	0	0	0	109.4	M939 I940 D941	I937-M939 PolarHBondContact O-N 2.84Å; I937-I940 PolarHBondContact O-N 3.26Å; I937-I940 VanDerWaalsContact O-N 3.16Å; I937-D941 WeakPolarHBondContact O-CB 3.4Å; I937-D941 PolarHBondContact O-N 3.22Å
938	K	31.9	Very low	27.2	Very low	137 Å²	137	86.9 Å²	86.9	60%	0.596	48%	0.482	S	S	*	.	H	α-helix	trans	-63.7	-21.6	174.7	-75.3	-175.7	174.8	-175.7	0	114.8	M934 A935	M934-K938 HydrophobicContact CG-CD 4.3Å; M934-K938 WeakPolarHBondContact O-CB 3.31Å; M934-K938 WeakPolarHBondContact O-CG 3.44Å; M934-K938 PolarHBondContact O-N 3.05Å; A935-K938 PolarHBondContact O-N 2.86Å
939	M	28.4	Very low	27	Very low	96 Å²	96	86.5 Å²	86.5	47%	0.473	49%	0.493	S	S	.	.	H	α-helix	trans	-78.9	-42	171.6	-80.4	178.4	146.7	0	0	111.9	A935 H936 I937 R942 F943	A935-M939 WeakPolarHBondContact O-CG 3.35Å; A935-M939 PolarHBondContact O-N 3.46Å; H936-M939 PolarHBondContact O-N 3.15Å; I937-M939 PolarHBondContact O-N 2.84Å; M939-R942 PolarHBondContact O-N 2.88Å; M939-F943 WeakPolarHBondContact O-CD2 3.25Å; M939-F943 WeakPolarHBondContact O-CE2 3.23Å
940	I	29.8	Very low	26.7	Very low	91 Å²	91	87.6 Å²	87.6	47%	0.467	49%	0.493	S	S	.	.	H	α-helix	trans	-73.9	-33.1	-179.2	-64.3	163.9	0	0	0	111.8	H936 I937 R942 F943	H936-I940 VanDerWaalsContact O-CG1 3.3Å; H936-I940 WeakPolarHBondContact O-CG1 3.08Å; H936-I940 PolarHBondContact O-N 2.75Å; I937-I940 PolarHBondContact O-N 3.26Å; I937-I940 VanDerWaalsContact O-N 3.16Å; I940-R942 PolarHBondContact O-N 3.43Å; I940-F943 WeakPolarHBondContact O-CA 3.42Å; I940-F943 PolarHBondContact O-N 2.75Å
941	D	28.8	Very low	26.5	Very low	131 Å²	131	89.2 Å²	89.2	70%	0.701	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-56.7	-30.6	175.5	-151.9	29.6	0	0	0	112.1	I937 F943 G944	I937-D941 WeakPolarHBondContact O-CB 3.4Å; I937-D941 PolarHBondContact O-N 3.22Å; D941-F943 VanDerWaalsContact C-N 3.27Å; D941-F943 PolarHBondContact O-N 2.75Å; D941-G944 PolarHBondContact O-N 2.98Å
942	R	27	Very low	26.4	Very low	189 Å²	189	88.5 Å²	88.5	71%	0.713	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-73.7	-11.8	174.6	-66.1	-179.3	177.2	-171.8	-0.5	114.6	M939 I940	M939-R942 PolarHBondContact O-N 2.88Å; I940-R942 PolarHBondContact O-N 3.43Å
943	F	24	Very low	26.3	Very low	100 Å²	100	87.2 Å²	87.2	44%	0.439	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-100	10.8	174.5	-64.4	-85.2	0	0	0	112.5	F752 F758 M762 M939 I940 D941 V945	F752-F943 WeakPolarHBondContact CE1-O 3.03Å; F752-F943 WeakPolarHBondContact CZ-O 3.49Å; F758-F943 HydrophobicContact CE1-CE1 4.36Å; M762-F943 HydrophobicContact CE-CZ 4.24Å; M939-F943 WeakPolarHBondContact O-CD2 3.25Å; M939-F943 WeakPolarHBondContact O-CE2 3.23Å; I940-F943 WeakPolarHBondContact O-CA 3.42Å; I940-F943 PolarHBondContact O-N 2.75Å; D941-F943 VanDerWaalsContact C-N 3.27Å; D941-F943 PolarHBondContact O-N 2.75Å; F943-V945 HydrophobicContact CB-CG2 4.22Å; F943-V945 WeakPolarHBondContact O-CG2 3.42Å; F943-V945 PolarHBondContact O-N 3.24Å
944	G	22.7	Very low	26.1	Very low	35 Å²	35	90 Å²	90	36%	0.361	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	30	169	0	0	0	0	0	116.3	F752 D941 V946	F752-G944 WeakPolarHBondContact CE2-O 3.38Å; D941-G944 PolarHBondContact O-N 2.98Å; G944-V946 PolarHBondContact O-N 3.35Å; G944-V946 VanDerWaalsContact O-N 3.08Å
945	V	24.3	Very low	25.9	Very low	80 Å²	80	86.8 Å²	86.8	49%	0.485	46%	0.459	S	S	.	.			trans	-73	100.9	-175.7	-177.3	0	0	0	0	110.6	F943 V947	F943-V945 HydrophobicContact CB-CG2 4.22Å; F943-V945 WeakPolarHBondContact O-CG2 3.42Å; F943-V945 PolarHBondContact O-N 3.24Å; V945-V947 PolarHBondContact O-N 3.4Å
946	V	23.3	Very low	25.8	Very low	96 Å²	96	88.1 Å²	88.1	58%	0.582	46%	0.459	S	S	*	.			trans	-76	112.6	174.4	178.8	0	0	0	0	110.2	L748 G944 H948	L748-V946 HydrophobicContact CD2-CB 4.21Å; L748-V946 HydrophobicContact CD2-CG2 3.65Å; G944-V946 PolarHBondContact O-N 3.35Å; G944-V946 VanDerWaalsContact O-N 3.08Å; V946-H948 PolarHBondContact O-N 2.77Å
947	V	25.8	Very low	25.8	Very low	63 Å²	63	89.4 Å²	89.4	38%	0.382	47%	0.465	S	S	.	.			trans	-77.3	122.9	178.7	-178.8	0	0	0	0	110.4	V945 P953 M956	V945-V947 PolarHBondContact O-N 3.4Å; V947-P953 HydrophobicContact CG1-CG 4.43Å; V947-M956 HydrophobicContact CG2-CE 4.37Å; V947-M956 HydrophobicContact CG2-SD 4.26Å
948	H	22.9	Very low	25.6	Very low	53 Å²	53	89.5 Å²	89.5	25%	0.245	47%	0.47	C	S	.	.			trans	-76.8	131.7	-171.1	-164.9	-83	0	0	0	113.1	V741 V946 I950	V741-H948 WeakPolarHBondContact CG1-CE1 3.26Å; V741-H948 VanDerWaalsContact CG1-NE2 3.25Å; V741-H948 WeakPolarHBondContact CG1-NE2 3.41Å; V741-H948 WeakPolarHBondContact CG2-CE1 3.37Å; V741-H948 VanDerWaalsContact CG2-NE2 3.26Å; V741-H948 WeakPolarHBondContact CG2-NE2 3.42Å; V946-H948 PolarHBondContact O-N 2.77Å; H948-I950 VanDerWaalsContact C-N 3.29Å; H948-I950 PolarHBondContact O-N 3.47Å
949	P	22.6	Very low	25.3	Very low	100 Å²	100	87.3 Å²	87.3	65%	0.649	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	6.6	-156	-20.6	34.8	0	0	0	118.6
950	I	22.4	Very low	25.1	Very low	93 Å²	93	90.7 Å²	90.7	48%	0.477	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-26.9	-170.5	-53	-174.8	0	0	0	112.2	F737 V741 H948	F737-I950 HydrophobicContact CD1-CD1 4.23Å; F737-I950 HydrophobicContact CE1-CD1 3.54Å; F737-I950 HydrophobicContact CE1-CG1 3.58Å; F737-I950 HydrophobicContact CZ-CD1 4.15Å; F737-I950 HydrophobicContact CZ-CG1 3.8Å; V741-I950 HydrophobicContact CG1-CD1 4.38Å; V741-I950 HydrophobicContact CG2-CD1 4.43Å; H948-I950 VanDerWaalsContact C-N 3.29Å; H948-I950 PolarHBondContact O-N 3.47Å
951	C	23.7	Very low	24.9	Very low	102 Å²	102	90.8 Å²	90.8	69%	0.689	49%	0.487	S	S	*	.			trans	-152.3	112	168.9	-92.7	0	0	0	0	109.4
952	P	25	Very low	24.7	Very low	64 Å²	64	88.3 Å²	88.3	42%	0.416	48%	0.476	S	S	.	.			trans	-57.7	132.5	163.1	-19.2	31.2	0	0	0	108.9	R954 Q957	P952-R954 PolarHBondContact O-N 3.25Å; P952-Q957 HydrophobicContact CB-CG 4.04Å
953	P	25.9	Very low	24.5	Very low	29 Å²	29	85.2 Å²	85.2	19%	0.188	47%	0.474	C	S	.	.			trans	-51.4	135.4	170	-26.3	34.7	0	0	0	109.6	V947 F955 M956	V947-P953 HydrophobicContact CG1-CG 4.43Å; P953-F955 HydrophobicContact CB-CD1 3.94Å; P953-F955 HydrophobicContact CB-CE1 3.49Å; P953-F955 VanDerWaalsContact CB-CE1 3.49Å; P953-F955 HydrophobicContact CB-CZ 3.91Å; P953-F955 PolarHBondContact O-N 3.1Å; P953-M956 HydrophobicContact CG-SD 4.35Å; P953-M956 WeakPolarHBondContact O-CB 3.47Å; P953-M956 PolarHBondContact O-N 2.86Å
954	R	25.7	Very low	24.4	Very low	115 Å²	115	86 Å²	86	43%	0.434	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.3	-165	-70.8	161.4	152.3	-147.9	-8	114.1	V703 P952	V703-R954 HydrophobicContact CG1-CB 4.13Å; V703-R954 HydrophobicContact CG1-CG 3.92Å; V703-R954 HydrophobicContact CG2-CB 3.75Å; V703-R954 HydrophobicContact CG2-CG 4.36Å; P952-R954 PolarHBondContact O-N 3.25Å
955	F	25.9	Very low	24.4	Very low	54 Å²	54	88.6 Å²	88.6	24%	0.237	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-26.1	171.8	67.1	-94.8	0	0	0	113.9	Y701 F916 P953 Q957 V958	Y701-F955 HydrophobicContact CE1-CB 4.46Å; F916-F955 HydrophobicContact CB-CE1 4.35Å; F916-F955 HydrophobicContact CD1-CZ 4.36Å; P953-F955 HydrophobicContact CB-CD1 3.94Å; P953-F955 HydrophobicContact CB-CE1 3.49Å; P953-F955 VanDerWaalsContact CB-CE1 3.49Å; P953-F955 HydrophobicContact CB-CZ 3.91Å; P953-F955 PolarHBondContact O-N 3.1Å; F955-Q957 PolarHBondContact O-N 3.08Å; F955-V958 WeakPolarHBondContact O-CB 3.21Å; F955-V958 PolarHBondContact O-N 2.97Å; F955-V958 VanDerWaalsContact O-N 3.11Å
956	M	25.7	Very low	24.3	Very low	71 Å²	71	88.6 Å²	88.6	35%	0.35	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.9	171.8	-74.4	-173	137.9	0	0	112.3	V947 P953 V958	V947-M956 HydrophobicContact CG2-CE 4.37Å; V947-M956 HydrophobicContact CG2-SD 4.26Å; P953-M956 HydrophobicContact CG-SD 4.35Å; P953-M956 WeakPolarHBondContact O-CB 3.47Å; P953-M956 PolarHBondContact O-N 2.86Å; M956-V958 VanDerWaalsContact C-N 3.28Å
957	Q	27	Very low	24.2	Very low	82 Å²	82	89.4 Å²	89.4	38%	0.383	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.6	170.9	-62.7	-179.4	-11.9	0	0	113.5	H708 P952 F955	H708-Q957 PolarHBondContact NE2-OE1 3.03Å; P952-Q957 HydrophobicContact CB-CG 4.04Å; F955-Q957 PolarHBondContact O-N 3.08Å
958	V	26.2	Very low	24	Very low	99 Å²	99	96.7 Å²	96.7	60%	0.6	53%	0.534	S	S	*	.	S	Bend	trans	-88.2	-17.1	176.5	-175.6	0	0	0	0	111.4	F955 M956 N960	F955-V958 WeakPolarHBondContact O-CB 3.21Å; F955-V958 PolarHBondContact O-N 2.97Å; F955-V958 VanDerWaalsContact O-N 3.11Å; M956-V958 VanDerWaalsContact C-N 3.28Å; V958-N960 PolarHBondContact O-N 3.29Å
959	Y	24.3	Very low	24	Very low	90 Å²	90	97.9 Å²	97.9	35%	0.353	54%	0.544	S	S	.	.			trans	-87	100.3	170.1	-86.5	-90.5	0	0	0	110.7	S933 S961 V962	S933-Y959 VanDerWaalsContact CB-OH 3.28Å; S933-Y959 WeakPolarHBondContact CB-OH 3.46Å; S933-Y959 PolarHBondContact OG-OH 3.04Å; Y959-S961 PolarHBondContact O-N 3.21Å; Y959-V962 PolarHBondContact O-N 3.01Å; Y959-V962 VanDerWaalsContact O-N 3.13Å
960	N	24.9	Very low	24	Very low	167 Å²	167	99.8 Å²	99.8	89%	0.893	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	2	167.1	-73.3	-22.9	0	0	0	114.1	V958	V958-N960 PolarHBondContact O-N 3.29Å
961	S	24.7	Very low	24.1	Very low	94 Å²	94	100.7 Å²	100.7	66%	0.657	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	9.1	-179.7	69	0	0	0	0	113.9	Y959 L963	Y959-S961 PolarHBondContact O-N 3.21Å; S961-L963 PolarHBondContact O-N 2.99Å
962	V	25.7	Very low	24.1	Very low	78 Å²	78	100.2 Å²	100.2	47%	0.473	56%	0.562	S	S	.	*	S	Bend	trans	-69.7	104.3	160.4	176.4	0	0	0	0	105.9	Y959 S964	Y959-V962 PolarHBondContact O-N 3.01Å; Y959-V962 VanDerWaalsContact O-N 3.13Å; V962-S964 PolarHBondContact O-N 3.14Å
963	L	21.9	Very low	24	Very low	125 Å²	125	103.9 Å²	103.9	65%	0.654	58%	0.583	S	S	*	*			trans	-51.2	111.2	168.6	-82.3	160.4	0	0	0	107.7	S961 S965	S961-L963 PolarHBondContact O-N 2.99Å; L963-S965 PolarHBondContact O-N 3.3Å
964	S	23.4	Very low	23.9	Very low	115 Å²	115	107.5 Å²	107.5	80%	0.804	61%	0.61	S	S	*	*			trans	-70.8	72	163.7	58.3	0	0	0	0	107.5	V962 A966	V962-S964 PolarHBondContact O-N 3.14Å; S964-A966 PolarHBondContact O-N 3.02Å
965	S	22	Very low	23.8	Very low	90 Å²	90	111.2 Å²	111.2	63%	0.629	63%	0.632	S	S	*	*			trans	-64.3	84	168.7	-60.3	0	0	0	0	107.1	L963 L967	L963-S965 PolarHBondContact O-N 3.3Å; S965-L967 PolarHBondContact O-N 3.22Å
966	A	21.7	Very low	23.7	Very low	80 Å²	80	111.7 Å²	111.7	66%	0.661	65%	0.652	S	S	*	*			trans	-62.8	88.6	162.7	0	0	0	0	0	106.1	S964 W968	S964-A966 PolarHBondContact O-N 3.02Å; A966-W968 VanDerWaalsContact C-N 3.27Å; A966-W968 PolarHBondContact O-N 2.93Å
967	L	22	Very low	23.6	Very low	114 Å²	114	117 Å²	117	60%	0.597	68%	0.682	S	S	*	*			trans	-72.2	91.2	178.5	-132.3	158.1	0	0	0	106.3	S965 V969 V983	S965-L967 PolarHBondContact O-N 3.22Å; L967-V969 HydrophobicContact CD2-CG2 3.68Å; L967-V969 PolarHBondContact O-N 2.78Å; L967-V983 HydrophobicContact CD2-CG1 4.19Å
968	W	20.8	Very low	23.5	Very low	216 Å²	216	116.6 Å²	116.6	82%	0.818	70%	0.7	S	S	*	*			trans	-64.4	88.5	170.3	-84.5	67.6	0	0	0	108	A966 D970	A966-W968 VanDerWaalsContact C-N 3.27Å; A966-W968 PolarHBondContact O-N 2.93Å; W968-D970 PolarHBondContact O-N 3.06Å
969	V	23.3	Very low	23.4	Very low	77 Å²	77	118 Å²	118	47%	0.467	71%	0.712	S	S	.	*			trans	-89	89.4	166.6	-170	0	0	0	0	107	L967 T971	L967-V969 HydrophobicContact CD2-CG2 3.68Å; L967-V969 PolarHBondContact O-N 2.78Å; V969-T971 WeakPolarHBondContact CG1-OG1 3.21Å; V969-T971 PolarHBondContact O-N 3.31Å; V969-T971 PolarHBondContact O-OG1 3.35Å; V969-T971 VanDerWaalsContact O-OG1 3.05Å
970	D	22.2	Very low	23.4	Very low	140 Å²	140	123 Å²	123	75%	0.749	74%	0.739	S	S	*	*			trans	-60.1	83.9	163.4	-88.2	-30.8	0	0	0	108.6	W968 A972	W968-D970 PolarHBondContact O-N 3.06Å; D970-A972 PolarHBondContact O-N 2.99Å
971	T	24.6	Very low	23.4	Very low	112 Å²	112	120.2 Å²	120.2	69%	0.687	73%	0.728	S	S	*	*			trans	-85.5	77.4	179.2	-30.1	0	0	0	0	107.5	V969 V973	V969-T971 WeakPolarHBondContact CG1-OG1 3.21Å; V969-T971 PolarHBondContact O-N 3.31Å; V969-T971 PolarHBondContact O-OG1 3.35Å; V969-T971 VanDerWaalsContact O-OG1 3.05Å; T971-V973 PolarHBondContact O-N 3.32Å; T971-V973 VanDerWaalsContact O-N 3.14Å
972	A	23.5	Very low	23.3	Very low	92 Å²	92	125.7 Å²	125.7	76%	0.76	74%	0.74	S	S	*	*			trans	-55.8	118	173.3	0	0	0	0	0	109.3	D970 S974	D970-A972 PolarHBondContact O-N 2.99Å; A972-S974 PolarHBondContact O-N 3.28Å
973	V	22	Very low	23.3	Very low	141 Å²	141	126.9 Å²	126.9	86%	0.855	75%	0.747	S	S	*	*			trans	-74.2	99.2	176.2	-176	0	0	0	0	107.6	T971	T971-V973 PolarHBondContact O-N 3.32Å; T971-V973 VanDerWaalsContact O-N 3.14Å
974	S	25.8	Very low	23.4	Very low	106 Å²	106	125.1 Å²	125.1	74%	0.741	75%	0.751	S	S	*	*			trans	-96.4	121.1	166.7	-161.6	0	0	0	0	109.2	A972 G976	A972-S974 PolarHBondContact O-N 3.28Å; S974-G976 PolarHBondContact O-N 3.16Å
975	E	22.3	Very low	23.4	Very low	193 Å²	193	125 Å²	125	90%	0.902	75%	0.75	S	S	*	*			trans	-70.2	117.1	169.3	-60	176.3	146.4	0	0	108.7
976	G	24.6	Very low	23.4	Very low	64 Å²	64	128.5 Å²	128.5	66%	0.66	76%	0.762	S	S	*	*	S	Bend	trans	138.9	148.9	176.9	0	0	0	0	0	113.8	S974 G978	S974-G976 PolarHBondContact O-N 3.16Å; G976-G978 PolarHBondContact O-N 3.07Å
977	D	24	Very low	23.5	Very low	182 Å²	182	134.4 Å²	134.4	97%	0.973	77%	0.768	S	S	*	*	S	Bend	trans	-57.2	114.8	-172.6	-60.8	-51.5	0	0	0	114.3
978	G	24.7	Very low	23.5	Very low	74 Å²	74	136.8 Å²	136.8	76%	0.763	78%	0.781	S	S	*	*			trans	120.5	103.3	161.5	0	0	0	0	0	116.1	G976	G976-G978 PolarHBondContact O-N 3.07Å
979	C	24	Very low	23.6	Very low	128 Å²	128	130.6 Å²	130.6	87%	0.865	77%	0.771	S	S	*	*			trans	-93.6	122	171.4	-68.3	0	0	0	0	112.3
980	Q	23.3	Very low	23.6	Very low	195 Å²	195	134.6 Å²	134.6	91%	0.911	79%	0.788	S	S	*	*			trans	-108.8	115.7	157.3	-75.3	-172.6	-9.1	0	0	109.3
981	T	24.7	Very low	23.6	Very low	108 Å²	108	138.5 Å²	138.5	66%	0.663	79%	0.793	S	S	*	*			trans	-86.8	116.9	175.8	-50.5	0	0	0	0	110.2	V983	T981-V983 HydrophobicContact CG2-CG2 4.24Å
982	K	23.4	Very low	23.6	Very low	210 Å²	210	138 Å²	138	91%	0.913	80%	0.795	S	S	*	*			trans	-99.9	112.2	173.7	-138.8	-179.2	-172.6	-177.7	0	109
983	V	24.5	Very low	23.6	Very low	102 Å²	102	141.4 Å²	141.4	62%	0.618	80%	0.795	S	S	*	*			trans	-95.5	123.9	176.4	-177.6	0	0	0	0	109	L967 T981	L967-V983 HydrophobicContact CD2-CG1 4.19Å; T981-V983 HydrophobicContact CG2-CG2 4.24Å
984	A	23.9	Very low	23.6	Very low	89 Å²	89	142.9 Å²	142.9	74%	0.736	79%	0.792	S	S	*	*			trans	-119.3	138.1	170.7	0	0	0	0	0	109.1
985	S	23.7	Very low	23.6	Very low	112 Å²	112	144 Å²	144	78%	0.783	80%	0.795	S	S	*	*			trans	-123	97.2	-178.6	62.9	0	0	0	0	110.6
986	D	23	Very low	23.7	Very low	164 Å²	164	141 Å²	141	88%	0.877	78%	0.784	S	S	*	*			trans	-95.1	138.5	172.8	-75.1	-38	0	0	0	111.6
987	Y	22.8	Very low	23.7	Very low	203 Å²	203	147 Å²	147	80%	0.796	79%	0.788	S	S	*	*			trans	-103.4	111.5	-162.7	-152.2	-89.7	0	0	0	110.2
988	L	22.1	Very low	23.7	Very low	164 Å²	164	144.8 Å²	144.8	86%	0.859	78%	0.775	S	S	*	*			trans	-113.6	96	-178.7	-108.2	160.9	0	0	0	111.9
989	S	22.4	Very low	23.7	Very low	87 Å²	87	146.5 Å²	146.5	61%	0.608	77%	0.766	S	S	*	*			trans	-84.8	125.3	173.9	161	0	0	0	0	110.8
990	I	24.4	Very low	23.7	Very low	161 Å²	161	143.2 Å²	143.2	83%	0.826	75%	0.745	S	S	*	*			trans	-120.1	103.8	170	-55.1	-179.8	0	0	0	108.9
991	Y	21.3	Very low	23.8	Very low	221 Å²	221	140.9 Å²	140.9	87%	0.867	74%	0.738	S	S	*	*			trans	-131.9	97.3	-177.2	-145.7	-71.2	0	0	0	108.4
992	S	25.3	Very low	23.9	Very low	102 Å²	102	141.6 Å²	141.6	71%	0.713	74%	0.736	S	S	*	*			trans	-157.4	121.9	158.6	92.9	0	0	0	0	107.9
993	E	23.2	Very low	24.1	Very low	164 Å²	164	139.7 Å²	139.7	77%	0.766	73%	0.73	S	S	*	*				49.8	104	90.5	-63.2	-161	163.7	0	0	113.2
994	H	23.3	Very low	24.2	Very low	171 Å²	171	137.9 Å²	137.9	79%	0.792	73%	0.732	S	S	*	*	S	Bend	trans	39.8	127.4	158.1	-56.1	-68.4	0	0	0	120.1
995	T	24.9	Very low	24.2	Very low	130 Å²	130	138.9 Å²	138.9	80%	0.798	73%	0.733	S	S	*	*			trans	62.4	114.4	158.6	18.5	0	0	0	0	116.7
996	L	25	Very low	24.4	Very low	130 Å²	130	148.9 Å²	148.9	68%	0.681	75%	0.754	S	S	*	*			trans	170.3	-29.9	131.9	-93.7	154.2	0	0	0	115.5	I998 L999	L996-I998 VanDerWaalsContact C-N 3.28Å; L996-I998 PolarHBondContact O-N 2.85Å; L996-L999 HydrophobicContact CD2-CD1 4.39Å; L996-L999 PolarHBondContact O-N 3.41Å
997	Y	24.6	Very low	24.5	Very low	191 Å²	191	148.1 Å²	148.1	75%	0.749	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-8	-162.9	-117.5	-86.6	0	0	0	117.6	L999	Y997-L999 PolarHBondContact O-N 3.41Å
998	I	24	Very low	24.6	Very low	135 Å²	135	145.2 Å²	145.2	69%	0.692	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-18.6	169.1	-70.9	177.2	0	0	0	111.7	L996 I1002	L996-I998 VanDerWaalsContact C-N 3.28Å; L996-I998 PolarHBondContact O-N 2.85Å; I998-I1002 HydrophobicContact CG2-CD1 4.45Å; I998-I1002 VanDerWaalsContact O-CD1 3.3Å; I998-I1002 WeakPolarHBondContact O-CD1 3.42Å; I998-I1002 WeakPolarHBondContact O-CG1 3.34Å
999	L	23.7	Very low	24.7	Very low	110 Å²	110	144.2 Å²	144.2	58%	0.576	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-21.5	178.9	-78.6	155.8	0	0	0	114.2	L996 Y997	L996-L999 HydrophobicContact CD2-CD1 4.39Å; L996-L999 PolarHBondContact O-N 3.41Å; Y997-L999 PolarHBondContact O-N 3.41Å
1000	S	23.9	Very low	24.9	Very low	59 Å²	59	147.5 Å²	147.5	41%	0.413	75%	0.747	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	-31.2	-171	-52.5	0	0	0	0	114.3
1001	L	25.5	Very low	24.9	Very low	146 Å²	146	146.7 Å²	146.7	76%	0.764	74%	0.742	S	S	*	*	S	Bend	trans	-86.6	-12.5	175.3	-85	159.4	0	0	0	113.5	H1003	L1001-H1003 VanDerWaalsContact C-N 3.26Å
1002	I	27.8	Very low	25.1	Very low	123 Å²	123	141.7 Å²	141.7	63%	0.631	73%	0.733	S	S	*	*	S	Bend	trans	-83.3	-3.4	173	-63	179.7	0	0	0	111.5	I998	I998-I1002 HydrophobicContact CG2-CD1 4.45Å; I998-I1002 VanDerWaalsContact O-CD1 3.3Å; I998-I1002 WeakPolarHBondContact O-CD1 3.42Å; I998-I1002 WeakPolarHBondContact O-CG1 3.34Å
1003	H	27.2	Very low	25.1	Very low	170 Å²	170	144.6 Å²	144.6	79%	0.787	74%	0.735	S	S	*	*	S	Bend	trans	-124	4.9	177.3	-80.2	2.4	0	0	0	114.5	L1001	L1001-H1003 VanDerWaalsContact C-N 3.26Å
1004	G	26	Very low	25.3	Very low	64 Å²	64	143.1 Å²	143.1	66%	0.66	73%	0.732	S	S	*	*	S	Bend	trans	-97.1	-17.4	-170.8	0	0	0	0	0	117.4
1005	S	25.1	Very low	25.5	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	73%	0.727	S	S	*	*			trans	-134.8	106.5	179	60.1	0	0	0	0	111.5
1006	R	27.7	Very low	25.5	Very low	322 Å²	322	141.7 Å²	141.7	100%	1.215	72%	0.721	S	S	*	*			trans	-71	0	156.8	-80.2	-179.6	167.6	178.4	-3.9	110.6

Retrieved 1,006 of 1,006 residues in 1706.2 ms (Link to these results)

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